diff --git a/rmgpy/cantherm/gaussian.py b/rmgpy/cantherm/gaussian.py index 8ec27939a2..4bab30b2f5 100644 --- a/rmgpy/cantherm/gaussian.py +++ b/rmgpy/cantherm/gaussian.py @@ -146,6 +146,8 @@ def loadGeometry(self): mass[i] = 12.0 elif number[i] == 8: mass[i] = 15.99491461956 + elif number[i] == 16: + mass[i] = 31.97207100 else: print 'Atomic number %i not yet supported in loadGeometry().' % number[i]