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quack/mol/triazine.xyz
2020-10-12 14:30:00 +02:00

11 lines
579 B
Plaintext

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Triazine,^1A_1^\prime,CC3,aug-cc-pVTZ
C 0.00000000 -1.11875858 -0.64591557
C 0.00000000 0.00000000 1.29183114
C 0.00000000 1.11875858 -0.64591557
N 0.00000000 -1.18866290 0.68627484
N 0.00000000 1.18866290 0.68627484
N 0.00000000 0.00000000 -1.37254969
H 0.00000000 2.05477770 -1.18632646
H 0.00000000 -2.05477770 -1.18632646
H 0.00000000 0.00000000 2.37265291