mirror of https://github.com/pfloos/quack
11 lines
586 B
Plaintext
11 lines
586 B
Plaintext
9
|
|
Imidazole,^1A^\prime,CC3,aug-cc-pVTZ
|
|
C 0.22047002 1.09013818 0.00000000
|
|
C -0.80762172 -0.85908302 0.00000000
|
|
C 0.55119348 -1.02135132 0.00000000
|
|
N -1.00726640 0.50226832 0.00000000
|
|
N 1.18649703 0.20152884 0.00000000
|
|
H 0.34661972 2.15771096 0.00000000
|
|
H -1.89181141 0.97423200 0.00000000
|
|
H -1.62120791 -1.55873998 0.00000000
|
|
H 1.10425494 -1.94208619 0.00000000 |