diff --git a/input/forbiddenStructures.py b/input/forbiddenStructures.py
index ba5bae8feb..c5eb1e191b 100644
--- a/input/forbiddenStructures.py
+++ b/input/forbiddenStructures.py
@@ -492,7 +492,6 @@
 """,
 )
 
-
 entry(
     label = "O2X2",
     species =
@@ -524,3 +523,3487 @@
 CO binds in a monodentate configuration
 """,
 )
+
+entry(
+    label = "NcNOO",
+    molecule =
+"""
+1 N u0 p2 c-1 {2,D}
+2 N u0 p0 c+1 {1,D} {3,S} {4,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u0 p2 c0 {2,S} {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A B2PLYP/aug-cc-pVTZ optimization gave a "chain" that can be represented as [N-]=[N+]=[O+][O-]
+instead of the cyclic structure [N-]=[N+]1OO1
+""",
+)
+
+entry(
+    label = "HNOH2NO",
+    molecule =
+"""
+multiplicity 2
+1 N u1 p1 c0 {2,S} {5,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 N u0 p1 c0 {3,S} {6,S} {7,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into HNO and H2NO
+""",
+)
+
+entry(
+    label = "HNOONH",
+    molecule =
+"""
+multiplicity 3
+1 N u1 p1 c0 {2,S} {5,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 N u1 p1 c0 {3,S} {6,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got two HNO fragments
+(one of them looks like a TS with the H a bit detached)
+""",
+)
+
+entry(
+    label = "ONH2ONH",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 N u1 p1 c0 {3,S} {7,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got HNO + H2NO
+""",
+)
+
+entry(
+    label = "ONH2NO",
+    molecule =
+"""
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 O u0 p2 c0 {3,D}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got NO + H2NO
+""",
+)
+
+entry(
+    label = "HNONOH(T)",
+    molecule =
+"""
+multiplicity 3
+1 N u1 p1 c0 {2,S} {5,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u1 p1 c0 {2,S} {4,S}
+4 O u0 p2 c0 {3,S} {6,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got NO + H2NO
+""",
+)
+
+entry(
+    label = "HNNH2OO",
+    molecule =
+"""
+multiplicity 2
+1 N u0 p2 c-1 {2,S} {5,S}
+2 N u0 p0 c+1 {1,S} {3,S} {6,S} {7,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into O2 + H2NN
+""",
+)
+
+entry(
+    label = "NNH2OO",
+    molecule =
+"""
+multiplicity 3
+1 N u1 p2 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into O2 + H2NN
+""",
+)
+
+entry(
+    label = "NNH2OOH",
+    molecule =
+"""
+multiplicity 2
+1 N u1 p2 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u0 p2 c0 {3,S} {7,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got HO2 + H2NO
+""",
+)
+
+entry(
+    label = "NNH2OH",
+    molecule =
+"""
+multiplicity 2
+1 N u1 p2 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {4,S} {5,S}
+3 O u0 p2 c0 {2,S} {6,S}
+4 H u0 p0 c0 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got H2O + HNN
+""",
+)
+
+entry(
+    label = "NNHOO",
+    molecule =
+"""
+multiplicity 2
+1 N u0 p2 c-1 {2,D}
+2 N u0 p0 c+1 {1,D} {3,S} {5,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into O2 + HNN
+""",
+)
+
+entry(
+    label = "NNHOOH",
+    molecule =
+"""
+1 N u0 p2 c-1 {2,D}
+2 N u0 p0 c+1 {1,D} {3,S} {5,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u0 p2 c0 {3,S} {6,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got N2, H2O and O
+""",
+)
+
+entry(
+    label = "NcNHOO",
+    molecule =
+"""
+multiplicity 2
+1 N u1 p2 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {4,S} {5,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u0 p2 c0 {2,S} {3,S}
+5 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got O2 and HNN
+""",
+)
+
+entry(
+    label = "NHcNOO",
+    molecule =
+"""
+multiplicity 2
+1 N u1 p1 c0 {2,S} {5,S}
+2 N u0 p1 c0 {1,S} {3,S} {4,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u0 p2 c0 {2,S} {3,S}
+5 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got O2 and HNN
+""",
+)
+
+entry(
+    label = "NH2NOOH",
+    molecule =
+"""
+multiplicity 2
+1 N u0 p1 c0 {2,S} {5,S} {6,S}
+2 N u1 p1 c0 {1,S} {3,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u0 p2 c0 {3,S} {7,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {1,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got OH and NH2NO
+""",
+)
+
+entry(
+    label = "NNHOO",
+    molecule =
+"""
+multiplicity 3
+1 N u0 p1 c0 {2,S} {5,S} {6,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u1 p1 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into NO + H2NO
+""",
+)
+
+entry(
+    label = "NHONOH",
+    molecule =
+"""
+multiplicity 3
+1 N u1 p1 c0 {2,S} {5,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u1 p1 c0 {2,S} {4,S}
+4 O u0 p2 c0 {3,S} {6,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got NO + H2NO
+""",
+)
+
+entry(
+    label = "ONH2NO(T)",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u1 p1 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got NO + H2NO
+""",
+)
+
+entry(
+    label = "NHNH2OO",
+    molecule =
+"""
+multiplicity 2
+1 N u0 p2 c-1 {2,S} {5,S}
+2 N u0 p0 c+1 {1,S} {3,S} {6,S} {7,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into O2 + N2H3
+""",
+)
+
+entry(
+    label = "NH3NO",
+    molecule =
+"""
+multiplicity 2
+1 N u0 p2 c-1 {2,S} {3,S}
+2 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+3 O u1 p2 c0 {1,S}
+4 H u0 p0 c0 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into NH3 + NO
+""",
+)
+
+entry(
+    label = "HONH2NOH",
+    molecule =
+"""
+1 O u0 p2 c0 {2,S} {5,S}
+2 N u0 p0 c+1 {1,S} {3,S} {6,S} {7,S}
+3 N u0 p2 c-1 {2,S} {4,S}
+4 O u0 p2 c0 {3,S} {8,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {2,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got H2O + HNNOH
+""",
+)
+
+entry(
+    label = "NNHOO",
+    molecule =
+"""
+multiplicity 2
+1 N u0 p2 c-1 {2,D}
+2 N u0 p0 c+1 {1,D} {3,S} {5,S}
+3 O u0 p2 c0 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 + HO2
+""",
+)
+
+entry(
+    label = "HONH2NO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {5,S}
+2 N u0 p0 c+1 {1,S} {3,S} {6,S} {7,S}
+3 N u0 p2 c-1 {2,S} {4,S}
+4 O u1 p2 c0 {3,S}
+5 H u0 p0 c0 {1,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into NO + H2NOH
+""",
+)
+
+entry(
+    label = "N3H(T)",
+    molecule =
+"""
+multiplicity 3
+1 N u1 p1 c0 {2,S} {4,S}
+2 N u0 p1 c0 {1,S} {3,D}
+3 N u1 p1 c0 {2,D}
+4 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 and NH
+""",
+)
+
+entry(
+    label = "[O]ON=[N](T)",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u1 p2 c0 {1,S}
+3 N u0 p1 c0 {1,S} {4,D}
+4 N u1 p1 c0 {3,D}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 and O2
+""",
+)
+
+entry(
+    label = "OON=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {5,S}
+3 N u0 p1 c0 {1,S} {4,D}
+4 N u1 p1 c0 {3,D}
+5 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got N2 and HO2
+""",
+)
+
+entry(
+    label = "NOON=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u0 p1 c0 {1,S} {6,S} {7,S}
+4 N u0 p1 c0 {2,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 and NH2OO
+""",
+)
+
+entry(
+    label = "NON=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 N u0 p1 c0 {1,S} {5,S} {6,S}
+3 N u0 p1 c0 {1,S} {4,D}
+4 N u1 p1 c0 {3,D}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 and NH2O
+""",
+)
+
+entry(
+    label = "[O-][NH2p]N=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 N u1 p1 c0 {3,D}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 and NH2O
+""",
+)
+
+entry(
+    label = "[O]NN=[N]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {2,S}
+2 N u0 p1 c0 {1,S} {3,S} {5,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 N u1 p1 c0 {3,D}
+5 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got N2 and HNO
+""",
+)
+
+entry(
+    label = "[NH]ON=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 N u1 p1 c0 {3,D}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 and NH2O
+""",
+)
+
+entry(
+    label = "N2H3NO2",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u0 p1 c0 {1,S} {3,S} {5,S}
+3 N u0 p0 c+1 {2,S} {4,S} {6,S} {7,S}
+4 N u0 p1 c0 {3,S} {8,S} {9,S}
+5 O u1 p2 c0 {2,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A b2plypd3/aug-cc-pvtz optimization did not gibe a single covalently-bonded species, it breaks down into N2H4 and NO2
+""",
+)
+
+entry(
+    label = "[NH]OON",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u0 p1 c0 {1,S} {5,S} {6,S}
+4 N u1 p1 c0 {2,S} {7,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into HNO and H2NO
+""",
+)
+
+entry(
+    label = "[O-][NH2p]O[NH]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {5,S} {6,S}
+4 N u1 p1 c0 {1,S} {7,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got HNO and H2NO
+""",
+)
+
+entry(
+    label = "[NH]OO[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u1 p1 c0 {1,S} {5,S}
+4 N u1 p1 c0 {2,S} {6,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got HNO and HNO
+""",
+)
+
+entry(
+    label = "[N]=NN=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,D}
+2 N u0 p1 c0 {1,D} {3,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 N u1 p1 c0 {3,D}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got N2 and NO
+""",
+)
+
+entry(
+    label = "O[N]N=[N]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {5,S}
+2 N u1 p1 c0 {1,S} {3,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 N u1 p1 c0 {3,D}
+5 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got N2 and HON
+""",
+)
+
+entry(
+    label = "[N]NN=O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,D}
+2 N u0 p1 c0 {3,S} {4,S} {5,S}
+3 N u0 p1 c0 {1,D} {2,S}
+4 N u2 p1 c0 {2,S}
+5 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got NO and HNN
+""",
+)
+
+entry(
+    label = "[N]=NON=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,D}
+3 N u0 p1 c0 {1,S} {2,D}
+4 N u0 p1 c0 {1,S} {5,D}
+5 N u1 p1 c0 {4,D}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got N2 and NO2
+""",
+)
+
+entry(
+    label = "[O-][N+](=O)N=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {3,S}
+2 O u0 p2 c0 {3,D}
+3 N u0 p0 c+1 {1,S} {2,D} {4,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got N2 and NO2
+""",
+)
+
+entry(
+    label = "NO[N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p1 c0 {1,S} {5,S} {6,S}
+4 N u1 p1 c0 {1,S} {2,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into NO and H2NO
+""",
+)
+
+entry(
+    label = "[NH]O[N]O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,S} {5,S}
+3 N u1 p1 c0 {1,S} {2,S}
+4 N u1 p1 c0 {1,S} {6,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+A CBS-QB3 job was unable to optimize this structure, got NO and H2NO
+""",
+)
+
+entry(
+    label = "[O-][NH+](N=[N])O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {7,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {6,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+An wb97xd/def2svp conformer search was unable to optimize any of the conformer, they break down into N2 and HONHO
+""",
+)
+
+entry(
+    label = "ONON=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,S} {7,S}
+3 N u0 p1 c0 {1,S} {2,S} {6,S}
+4 N u0 p1 c0 {1,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+]([O])[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {3,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {5,S}
+4 N u1 p1 c0 {3,S} {6,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "ONN=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {6,S}
+2 N u0 p1 c0 {1,S} {3,S} {5,S}
+3 N u0 p1 c0 {2,S} {4,D}
+4 N u1 p1 c0 {3,D}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH2+]O[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u1 p2 c0 {1,S}
+3 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+4 N u0 p2 c-1 {3,S} {7,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH2+]O[NH]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {4,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u0 p2 c-1 {2,S} {7,S}
+4 N u1 p1 c0 {1,S} {8,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH2+]N[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {3,S}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u0 p1 c0 {1,S} {2,S} {7,S}
+4 N u0 p2 c-1 {2,S} {8,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "NNO[N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u0 p1 c0 {3,S} {7,S} {8,S}
+5 N u1 p1 c0 {1,S} {2,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O]N([NH2+][NH-])[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {3,S}
+5 N u0 p2 c-1 {3,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH2+]ON[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {1,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {8,S}
+5 N u0 p2 c-1 {3,S} {9,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH2+][NH+]([O])[O-]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {4,S}
+2 O u0 p3 c-1 {4,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p0 c+1 {1,S} {2,S} {3,S} {8,S}
+5 N u0 p2 c-1 {3,S} {9,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH+]O[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u1 p2 c0 {1,S}
+3 N u1 p0 c+1 {1,S} {4,S} {5,S}
+4 N u0 p2 c-1 {3,S} {6,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]NOON",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u0 p1 c0 {1,S} {5,S} {6,S}
+4 N u0 p1 c0 {2,S} {7,S} {8,S}
+5 N u1 p1 c0 {3,S} {9,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]ON[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {4,S}
+2 N u0 p1 c0 {1,S} {3,S} {5,S}
+3 N u1 p1 c0 {2,S} {6,S}
+4 N u1 p1 c0 {1,S} {7,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[NH+]O[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u1 p2 c0 {1,S}
+3 N u0 p0 c+1 {1,S} {4,D} {5,S}
+4 N u0 p2 c-1 {3,D}
+5 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[NH+]O[NH]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 N u0 p0 c+1 {1,S} {4,D} {5,S}
+3 N u1 p1 c0 {1,S} {6,S}
+4 N u0 p2 c-1 {2,D}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[NH+]N[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {2,S}
+2 N u0 p1 c0 {1,S} {3,S} {6,S}
+3 N u0 p0 c+1 {2,S} {4,D} {5,S}
+4 N u0 p2 c-1 {3,D}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O][N]ON=N",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p1 c0 {1,S} {5,D}
+4 N u1 p1 c0 {1,S} {2,S}
+5 N u0 p1 c0 {3,D} {6,S}
+6 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][N+](=O)[N][NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p3 c-1 {3,S}
+2 O u0 p2 c0 {3,D}
+3 N u0 p0 c+1 {1,S} {2,D} {4,S}
+4 N u1 p1 c0 {3,S} {5,S}
+5 N u1 p1 c0 {4,S} {6,S}
+6 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[NH+]O[N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {1,S} {5,D} {6,S}
+4 N u1 p1 c0 {1,S} {2,S}
+5 N u0 p2 c-1 {3,D}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O]NON=N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {6,S}
+4 N u0 p1 c0 {1,S} {5,D}
+5 N u0 p1 c0 {4,D} {7,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[NH+]ON[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {7,S}
+4 N u0 p0 c+1 {1,S} {5,D} {6,S}
+5 N u0 p2 c-1 {4,D}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+]([NH+]=[N-])[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {3,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {6,S}
+4 N u0 p0 c+1 {3,S} {5,D} {7,S}
+5 N u0 p2 c-1 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH+]1OO1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {5,S}
+4 N u1 p2 c-1 {3,S}
+5 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "N[N]OO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {4,S}
+2 O u0 p2 c0 {1,S} {7,S}
+3 N u0 p1 c0 {4,S} {5,S} {6,S}
+4 N u1 p1 c0 {1,S} {3,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "NO[N][NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 N u0 p1 c0 {1,S} {5,S} {6,S}
+3 N u1 p1 c0 {1,S} {4,S}
+4 N u1 p1 c0 {3,S} {7,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]O[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+3 N u1 p1 c0 {1,S} {7,S}
+4 N u1 p2 c-1 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+][N][NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u1 p1 c0 {2,S} {4,S}
+4 N u1 p1 c0 {3,S} {7,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "NN[N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {4,S}
+2 N u0 p1 c0 {3,S} {4,S} {5,S}
+3 N u0 p1 c0 {2,S} {6,S} {7,S}
+4 N u1 p1 c0 {1,S} {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH2+][N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {3,S}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u1 p1 c0 {1,S} {2,S}
+4 N u0 p2 c-1 {2,S} {7,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]N[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {3,S}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u0 p1 c0 {1,S} {2,S} {7,S}
+4 N u1 p2 c-1 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]O[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u1 p2 c0 {1,S}
+3 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+4 N u1 p2 c-1 {3,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]OO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u0 p0 c+1 {1,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {2,S} {8,S} {9,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]OON",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u0 p0 c+1 {1,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {2,S} {8,S} {9,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "N[N]OON",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {4,S}
+2 O u0 p2 c0 {1,S} {5,S}
+3 N u0 p1 c0 {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {8,S} {9,S}
+5 N u1 p1 c0 {2,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]ON",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+3 N u0 p1 c0 {1,S} {7,S} {8,S}
+4 N u1 p2 c-1 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+][NH2+][O-]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {2,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u0 p0 c+1 {2,S} {4,S} {7,S} {8,S}
+4 N u1 p2 c-1 {3,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {6,S}
+2 N u0 p0 c+1 {1,S} {3,S} {4,S} {5,S}
+3 N u1 p2 c-1 {2,S}
+4 H u0 p0 c0 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]N=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,D}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u0 p1 c0 {1,D} {2,S}
+4 N u1 p2 c-1 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]ON=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {4,D}
+3 N u0 p0 c+1 {1,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,D}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "N[N]ON=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {4,S} {5,S}
+2 O u0 p2 c0 {5,D}
+3 N u0 p1 c0 {4,S} {6,S} {7,S}
+4 N u1 p1 c0 {1,S} {3,S}
+5 N u0 p1 c0 {1,S} {2,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+][N+](=O)[O-]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {4,S}
+2 O u0 p2 c0 {4,D}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p0 c+1 {1,S} {2,D} {3,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][N+](=O)[N]N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {4,S}
+2 O u0 p2 c0 {4,D}
+3 N u0 p1 c0 {5,S} {6,S} {7,S}
+4 N u0 p0 c+1 {1,S} {2,D} {5,S}
+5 N u1 p1 c0 {3,S} {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+][NH+](O)[O-]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {9,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {6,S}
+4 N u0 p0 c+1 {3,S} {5,S} {7,S} {8,S}
+5 N u1 p2 c-1 {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]ONO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {4,S} {9,S}
+3 N u0 p0 c+1 {1,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {8,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]NO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {8,S}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u0 p1 c0 {1,S} {2,S} {7,S}
+4 N u1 p2 c-1 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "N[N]ON[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {4,S} {5,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p1 c0 {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {8,S}
+5 N u1 p1 c0 {1,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]ON[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {1,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {8,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+][NH+]([O])[O-]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {4,S}
+2 O u0 p3 c-1 {4,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p0 c+1 {1,S} {2,S} {3,S} {8,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[N+](ON)[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p1 c0 {1,S} {6,S} {7,S}
+4 N u0 p0 c+1 {1,S} {2,S} {5,D}
+5 N u0 p2 c-1 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+]ON=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][N+](=O)[NH2+][O-]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {3,S}
+2 O u0 p2 c0 {4,D}
+3 N u0 p0 c+1 {1,S} {4,S} {6,S} {7,S}
+4 N u0 p0 c+1 {2,D} {3,S} {5,S}
+5 N u1 p2 c-1 {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+][N]N=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {3,S}
+2 O u0 p2 c0 {5,D}
+3 N u0 p0 c+1 {1,S} {4,S} {6,S} {7,S}
+4 N u1 p1 c0 {3,S} {5,S}
+5 N u0 p1 c0 {2,D} {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "O=N[N+](=O)[N-]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,D}
+2 O u0 p2 c0 {4,D}
+3 N u0 p0 c+1 {1,D} {4,S} {5,S}
+4 N u0 p1 c0 {2,D} {3,S}
+5 N u1 p2 c-1 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][N+](=O)NO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {7,S}
+2 O u0 p2 c0 {4,D}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u0 p0 c+1 {2,D} {3,S} {5,S}
+5 N u1 p2 c-1 {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]OO[NH2+]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u1 p0 c+1 {1,S} {5,S} {6,S}
+4 N u1 p2 c-1 {2,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]N1OO1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u1 p1 c0 {3,S} {5,S}
+5 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N]=NN(O)[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {6,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "O[N]ON=[N]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,S} {6,S}
+3 N u1 p1 c0 {1,S} {2,S}
+4 N u0 p1 c0 {1,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH-][NH2+]O[N]O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p2 c0 {5,S} {9,S}
+3 N u0 p0 c+1 {1,S} {4,S} {6,S} {7,S}
+4 N u0 p2 c-1 {3,S} {8,S}
+5 N u1 p1 c0 {1,S} {2,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O]N([NH2+][NH-])O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {4,S} {9,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {3,S}
+5 N u0 p2 c-1 {3,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {5,S}
+9 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]NO[N]O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {4,S} {8,S}
+3 N u0 p1 c0 {1,S} {5,S} {6,S}
+4 N u1 p1 c0 {1,S} {2,S}
+5 N u1 p1 c0 {3,S} {7,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {5,S}
+8 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "O[N]ON=N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,S} {6,S}
+3 N u1 p1 c0 {1,S} {2,S}
+4 N u0 p1 c0 {1,S} {5,D}
+5 N u0 p1 c0 {4,D} {7,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[NH+]O[N]O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {4,S} {7,S}
+3 N u0 p0 c+1 {1,S} {5,D} {6,S}
+4 N u1 p1 c0 {1,S} {2,S}
+5 N u0 p2 c-1 {3,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O]N([NH+]=[N-])O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {7,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p0 c+1 {3,S} {5,D} {6,S}
+5 N u0 p2 c-1 {4,D}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]O[N]O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {4,S} {8,S}
+3 N u0 p0 c+1 {1,S} {5,S} {6,S} {7,S}
+4 N u1 p1 c0 {1,S} {2,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O]N([NH2+][N-])O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {4,S} {8,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {3,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O]NON=[N]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {6,S}
+4 N u0 p1 c0 {1,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "OO[N]N=[N]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {6,S}
+3 N u1 p1 c0 {1,S} {4,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+](N=[N])[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {3,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {6,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N]1ON[N]O1",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p2 c0 {4,S} {5,S}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u1 p1 c0 {2,S} {3,S}
+5 N u1 p1 c0 {1,S} {2,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "NON([O])N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p1 c0 {3,S} {6,S} {7,S}
+5 N u0 p1 c0 {1,S} {8,S} {9,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {5,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]ON([O])N",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p1 c0 {3,S} {6,S} {7,S}
+5 N u1 p1 c0 {1,S} {8,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]NON[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p1 c0 {1,S} {5,S} {6,S}
+4 N u0 p1 c0 {1,S} {2,S} {7,S}
+5 N u1 p1 c0 {3,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH][N]ONO",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,S} {7,S}
+3 N u0 p1 c0 {1,S} {2,S} {6,S}
+4 N u1 p1 c0 {1,S} {5,S}
+5 N u1 p1 c0 {4,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {2,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N]NONO",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,S} {8,S}
+3 N u0 p1 c0 {1,S} {2,S} {6,S}
+4 N u0 p1 c0 {1,S} {5,S} {7,S}
+5 N u2 p1 c0 {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH][N]N(O)O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {6,S}
+2 O u0 p2 c0 {3,S} {7,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u1 p1 c0 {3,S} {5,S}
+5 N u1 p1 c0 {4,S} {8,S}
+6 H u0 p0 c0 {1,S}
+7 H u0 p0 c0 {2,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]N[N]OO",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {4,S}
+2 O u0 p2 c0 {1,S} {8,S}
+3 N u0 p1 c0 {4,S} {5,S} {6,S}
+4 N u1 p1 c0 {1,S} {3,S}
+5 N u1 p1 c0 {3,S} {7,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {5,S}
+8 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+]([N][NH])O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {7,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {6,S}
+4 N u1 p1 c0 {3,S} {5,S}
+5 N u1 p1 c0 {4,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {1,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]([NH3+])[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {3,S}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u0 p2 c-1 {1,S} {2,S}
+4 H u0 p0 c0 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+]O[N]N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {6,S} {7,S}
+4 N u0 p1 c0 {5,S} {8,S} {9,S}
+5 N u1 p1 c0 {1,S} {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+]N([O])N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {3,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {1,S} {4,S} {6,S} {7,S}
+4 N u0 p1 c0 {2,S} {3,S} {5,S}
+5 N u0 p1 c0 {4,S} {8,S} {9,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {5,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "N[N]OO[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {4,S}
+2 O u0 p2 c0 {1,S} {5,S}
+3 N u0 p1 c0 {4,S} {6,S} {7,S}
+4 N u1 p1 c0 {1,S} {3,S}
+5 N u1 p1 c0 {2,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "O[NH2+][N-][O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {7,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+4 N u0 p2 c-1 {2,S} {3,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]([NH2+]N=O)[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {4,S}
+2 O u0 p2 c0 {5,D}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p2 c-1 {1,S} {3,S}
+5 N u0 p1 c0 {2,D} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O][N-][NH2+]NO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {4,S} {9,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {3,S} {8,S}
+5 N u0 p2 c-1 {2,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "NNOO[NH]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {5,S}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u0 p1 c0 {3,S} {7,S} {8,S}
+5 N u1 p1 c0 {2,S} {9,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N]1ON1N=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {5,D}
+3 N u0 p1 c0 {1,S} {4,S} {5,S}
+4 N u1 p1 c0 {1,S} {3,S}
+5 N u0 p1 c0 {2,D} {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]1N([N+]1=O)[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {3,S}
+2 O u0 p2 c0 {4,D}
+3 N u0 p1 c0 {1,S} {4,S} {5,S}
+4 N u0 p0 c+1 {2,D} {3,S} {5,S}
+5 N u0 p2 c-1 {3,S} {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]=[N+]1ON1[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p0 c+1 {1,S} {3,S} {5,D}
+5 N u0 p2 c-1 {4,D}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]([N+]#N)O[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u1 p2 c0 {1,S}
+3 N u0 p2 c-1 {1,S} {4,S}
+4 N u0 p0 c+1 {3,S} {5,T}
+5 N u0 p1 c0 {4,T}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]O[NH+](N)[O-]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {6,S}
+4 N u0 p1 c0 {3,S} {7,S} {8,S}
+5 N u1 p1 c0 {1,S} {9,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]ON(O)N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p2 c0 {3,S} {8,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p1 c0 {3,S} {6,S} {7,S}
+5 N u1 p1 c0 {1,S} {9,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {2,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]([NH2+]O[NH])O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p2 c0 {4,S} {8,S}
+3 N u0 p0 c+1 {1,S} {4,S} {6,S} {7,S}
+4 N u0 p2 c-1 {2,S} {3,S}
+5 N u1 p1 c0 {1,S} {9,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {2,S}
+9 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "O[N-][NH2+]N[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {5,S} {9,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {2,S} {3,S} {8,S}
+5 N u0 p2 c-1 {1,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+][N]O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {7,S}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u1 p1 c0 {1,S} {2,S}
+4 N u1 p2 c-1 {2,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][N+](=O)[N]O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {4,S} {6,S}
+2 O u0 p2 c0 {3,D}
+3 N u0 p0 c+1 {2,D} {4,S} {5,S}
+4 N u1 p1 c0 {1,S} {3,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O][N]N=NO",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {6,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p1 c0 {1,S} {4,D}
+4 N u0 p1 c0 {3,D} {5,S}
+5 N u1 p1 c0 {2,S} {4,S}
+6 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+]([N]O)N",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {5,S} {9,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {2,S} {4,S} {5,S} {6,S}
+4 N u0 p1 c0 {3,S} {7,S} {8,S}
+5 N u1 p1 c0 {1,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]NOO[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {5,S}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u1 p1 c0 {3,S} {7,S}
+5 N u1 p1 c0 {2,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH][N]OON",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {4,S}
+3 N u0 p1 c0 {1,S} {6,S} {7,S}
+4 N u1 p1 c0 {2,S} {5,S}
+5 N u1 p1 c0 {4,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]ON(O)[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p2 c0 {3,S} {6,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u1 p1 c0 {3,S} {7,S}
+5 N u1 p1 c0 {1,S} {8,S}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][N+](=N)O[NH]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,D}
+4 N u0 p1 c0 {3,D} {6,S}
+5 N u1 p1 c0 {1,S} {7,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]O[NH+]([NH])[O-]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {4,S} {6,S}
+4 N u1 p1 c0 {3,S} {7,S}
+5 N u1 p1 c0 {1,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+]O[N][NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {1,S} {2,S} {6,S} {7,S}
+4 N u1 p1 c0 {1,S} {5,S}
+5 N u1 p1 c0 {4,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]([NH3+])O[N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {4,S} {5,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p0 c+1 {4,S} {6,S} {7,S} {8,S}
+4 N u0 p2 c-1 {1,S} {3,S}
+5 N u1 p1 c0 {1,S} {2,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O][N]N(O)N",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {8,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p1 c0 {1,S} {4,S} {5,S}
+4 N u0 p1 c0 {3,S} {6,S} {7,S}
+5 N u1 p1 c0 {2,S} {3,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+](N[O])[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p3 c-1 {3,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+4 N u0 p1 c0 {2,S} {3,S} {7,S}
+5 N u1 p1 c0 {3,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+]([N][O])N",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p3 c-1 {3,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+4 N u0 p1 c0 {3,S} {7,S} {8,S}
+5 N u1 p1 c0 {2,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+]N([O])[NH]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p3 c-1 {3,S}
+2 O u1 p2 c0 {4,S}
+3 N u0 p0 c+1 {1,S} {4,S} {6,S} {7,S}
+4 N u0 p1 c0 {2,S} {3,S} {5,S}
+5 N u1 p1 c0 {4,S} {8,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {5,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][N+](=O)N[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {3,S}
+2 O u0 p2 c0 {4,D}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u0 p0 c+1 {2,D} {3,S} {5,S}
+5 N u1 p2 c-1 {4,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O][N-][NH2+]N[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {4,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {3,S} {8,S}
+5 N u0 p2 c-1 {2,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][N+](=N)OO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {7,S}
+3 N u0 p0 c+1 {1,S} {4,D} {5,S}
+4 N u0 p1 c0 {3,D} {6,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "ONN1[N]O1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {5,S}
+2 O u0 p2 c0 {4,S} {7,S}
+3 N u0 p1 c0 {1,S} {4,S} {5,S}
+4 N u0 p1 c0 {2,S} {3,S} {6,S}
+5 N u1 p1 c0 {1,S} {3,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[NH]N(N=O)[O]",
+    molecule =
+"""
+multiplicity 3
+1 O u1 p2 c0 {3,S}
+2 O u0 p2 c0 {5,D}
+3 N u0 p1 c0 {1,S} {4,S} {5,S}
+4 N u1 p1 c0 {3,S} {6,S}
+5 N u0 p1 c0 {2,D} {3,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH+](N=O)[NH]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p3 c-1 {3,S}
+2 O u0 p2 c0 {5,D}
+3 N u0 p0 c+1 {1,S} {4,S} {5,S} {6,S}
+4 N u1 p1 c0 {3,S} {7,S}
+5 N u0 p1 c0 {2,D} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N]ON=O",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,D}
+3 N u0 p1 c0 {1,S} {2,D}
+4 N u2 p1 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]O[NH+]=O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u0 p2 c0 {3,D}
+3 N u0 p0 c+1 {1,S} {2,D} {5,S}
+4 N u1 p2 c-1 {1,S}
+5 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N]=NN(O)O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {3,S} {7,S}
+2 O u0 p2 c0 {3,S} {6,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {2,S}
+7 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "ON([NH2+][N-])O",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {4,S} {9,S}
+2 O u0 p2 c0 {4,S} {8,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {2,S} {3,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {2,S}
+9 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N]OO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {7,S}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "OONN=[N]",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {7,S}
+3 N u0 p1 c0 {1,S} {4,S} {6,S}
+4 N u0 p1 c0 {3,S} {5,D}
+5 N u1 p1 c0 {4,D}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]NOO",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {4,S}
+2 O u0 p2 c0 {1,S} {9,S}
+3 N u0 p0 c+1 {4,S} {5,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {3,S} {8,S}
+5 N u1 p2 c-1 {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+9 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+]N1[N]O1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {4,S} {5,S}
+2 O u0 p3 c-1 {3,S}
+3 N u0 p0 c+1 {2,S} {4,S} {6,S} {7,S}
+4 N u0 p1 c0 {1,S} {3,S} {5,S}
+5 N u1 p1 c0 {1,S} {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-][NH2+]N1OO1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {5,S}
+4 N u0 p1 c0 {5,S} {6,S} {7,S}
+5 N u1 p1 c0 {3,S} {4,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "N[N]N1OO1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {3,S}
+2 O u0 p2 c0 {1,S} {3,S}
+3 N u0 p1 c0 {1,S} {2,S} {5,S}
+4 N u0 p1 c0 {5,S} {6,S} {7,S}
+5 N u1 p1 c0 {3,S} {4,S}
+6 H u0 p0 c0 {4,S}
+7 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "NON[N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {3,S} {4,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p1 c0 {1,S} {5,S} {6,S}
+4 N u0 p1 c0 {1,S} {7,S} {8,S}
+5 N u1 p1 c0 {2,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O-][NH2+]N[N][O]",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p3 c-1 {3,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p0 c+1 {1,S} {4,S} {6,S} {7,S}
+4 N u0 p1 c0 {3,S} {5,S} {8,S}
+5 N u1 p1 c0 {2,S} {4,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {3,S}
+8 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O][N]NNO",
+    molecule =
+"""
+multiplicity 3
+1 O u0 p2 c0 {4,S} {8,S}
+2 O u1 p2 c0 {5,S}
+3 N u0 p1 c0 {4,S} {5,S} {6,S}
+4 N u0 p1 c0 {1,S} {3,S} {7,S}
+5 N u1 p1 c0 {2,S} {3,S}
+6 H u0 p0 c0 {3,S}
+7 H u0 p0 c0 {4,S}
+8 H u0 p0 c0 {1,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[O]N1NN1",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {3,S}
+2 N u0 p1 c0 {3,S} {4,S} {5,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p1 c0 {2,S} {3,S} {6,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {4,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "NN1[N]O1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {4,S}
+2 N u0 p1 c0 {1,S} {3,S} {4,S}
+3 N u0 p1 c0 {2,S} {5,S} {6,S}
+4 N u1 p1 c0 {1,S} {2,S}
+5 H u0 p0 c0 {3,S}
+6 H u0 p0 c0 {3,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]1[N]O[NH2+]1",
+    molecule =
+"""
+multiplicity 2
+1 O u0 p2 c0 {2,S} {4,S}
+2 N u0 p0 c+1 {1,S} {3,S} {5,S} {6,S}
+3 N u0 p2 c-1 {2,S} {4,S}
+4 N u1 p1 c0 {1,S} {3,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)
+
+entry(
+    label = "[N-]1N([NH2+]1)[O]",
+    molecule =
+"""
+multiplicity 2
+1 O u1 p2 c0 {3,S}
+2 N u0 p0 c+1 {3,S} {4,S} {5,S} {6,S}
+3 N u0 p1 c0 {1,S} {2,S} {4,S}
+4 N u0 p2 c-1 {2,S} {3,S}
+5 H u0 p0 c0 {2,S}
+6 H u0 p0 c0 {2,S}
+""",
+    shortDesc = u"""""",
+    longDesc =
+u"""
+Did not converge either on a wb97xd/def2svp conformer search or a CBS-QB3 optimization.
+""",
+)