Ec/geometries/pyridine.xyz

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2021-06-21 14:02:06 +02:00
11
Pyridine,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.40999871
C 0.00000000 1.19326807 -0.69888375
C 0.00000000 -1.19326807 -0.69888375
C 0.00000000 1.13984027 0.69147391
C 0.00000000 -1.13984027 0.69147391
N 0.00000000 0.00000000 1.39056622
H 0.00000000 0.00000000 -2.49052765
H 0.00000000 2.14723447 -1.20454196
H 0.00000000 -2.14723447 -1.20454196
H 0.00000000 2.05352021 1.27183287
H 0.00000000 -2.05352021 1.27183287