diff --git a/arkane/gaussian.py b/arkane/gaussian.py index b4b31b3f33c..faba8374cde 100644 --- a/arkane/gaussian.py +++ b/arkane/gaussian.py @@ -128,9 +128,10 @@ def loadGeometry(self): line = f.readline() while line != '': # Automatically determine the number of atoms - if 'Input orientation:' in line: + if 'Standard orientation' in line: number, coord = [], [] - for i in range(5): line = f.readline() + for i in range(5): + line = f.readline() while '---------------------------------------------------------------------' not in line: data = line.split() number.append(int(data[1]))