mirror of https://github.com/pfloos/quack
20 lines
1.1 KiB
Plaintext
20 lines
1.1 KiB
Plaintext
18
|
|
Naphthalene,^1A_g,CC3/cc-pVTZ
|
|
C 0.00000000 0.70909494 0.00000000
|
|
C 0.00000000 -0.70909494 0.00000000
|
|
C 1.23710973 1.39618950 0.00000000
|
|
C -1.23710973 1.39618950 0.00000000
|
|
C 1.23710973 -1.39618950 0.00000000
|
|
C -1.23710973 -1.39618950 0.00000000
|
|
C 2.42344619 0.70691221 0.00000000
|
|
C -2.42344619 0.70691221 0.00000000
|
|
C 2.42344619 -0.70691221 0.00000000
|
|
C -2.42344619 -0.70691221 0.00000000
|
|
H 1.23239147 2.47628164 0.00000000
|
|
H -1.23239147 2.47628164 0.00000000
|
|
H 1.23239147 -2.47628164 0.00000000
|
|
H -1.23239147 -2.47628164 0.00000000
|
|
H 3.35966148 1.24119417 0.00000000
|
|
H -3.35966148 1.24119417 0.00000000
|
|
H 3.35966148 -1.24119417 0.00000000
|
|
H -3.35966148 -1.24119417 0.00000000 |