mirror of https://github.com/pfloos/quack
12 lines
634 B
Plaintext
12 lines
634 B
Plaintext
10
|
|
Pyrimidine,^1A_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 1.27806007
|
|
C 0.00000000 0.00000000 -1.37803506
|
|
C 0.00000000 1.18150751 -0.65019687
|
|
C 0.00000000 -1.18150751 -0.65019687
|
|
N 0.00000000 1.19707397 0.68591814
|
|
N 0.00000000 -1.19707397 0.68591814
|
|
H 0.00000000 0.00000000 2.35896752
|
|
H 0.00000000 0.00000000 -2.45602226
|
|
H 0.00000000 2.14395798 -1.14488415
|
|
H 0.00000000 -2.14395798 -1.14488415 |