From 989cb04557d9d4c5d67ccab966ecab6ea7d77442 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Wed, 1 May 2024 08:37:11 +0300 Subject: [PATCH] f! thermo NH3 --- input/thermo/libraries/NH3.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/input/thermo/libraries/NH3.py b/input/thermo/libraries/NH3.py index aba27a0dcd..6a5afff453 100644 --- a/input/thermo/libraries/NH3.py +++ b/input/thermo/libraries/NH3.py @@ -698,7 +698,7 @@ entry( index=23, - label="HNOH", + label="NHOH", molecule=""" multiplicity 2 1 N u1 p1 c0 {2,S} {3,S} @@ -1906,7 +1906,7 @@ entry( index=61, - label="NH2NHOO", + label="N2H3OO", molecule=""" multiplicity 2 1 N u0 p1 c0 {2,S} {5,S} {6,S} @@ -2102,7 +2102,7 @@ entry( index=67, - label="OHNHOO", + label="HONHOO", molecule=""" multiplicity 2 1 O u0 p2 c0 {2,S} {5,S}