mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-27 14:53:44 +01:00
20 lines
799 B
Plaintext
20 lines
799 B
Plaintext
|
4
|
||
|
|
^1\Sigma_g,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 0.60351788
|
||
|
|
C 0.00000000 0.00000000 -0.60351788
|
||
|
|
H 0.00000000 0.00000000 1.66166429
|
||
|
|
H 0.00000000 0.00000000 -1.66166429
|
||
|
|
|
||
|
|
4
|
||
|
|
^1A_u,CC3,aug-cc-pVTZ
|
||
|
|
C 0.68564316 0.00000000 -0.00976886
|
||
|
|
C -0.68564316 0.00000000 0.00976886
|
||
|
|
H 1.28028433 0.00000000 0.90426692
|
||
|
|
H -1.28028433 0.00000000 -0.90426692
|
||
|
|
|
||
|
|
4
|
||
|
|
^1A_2,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.67117931 -0.06205209
|
||
|
|
C 0.00000000 -0.67117931 -0.06205209
|
||
|
|
H 0.00000000 1.41439715 0.73888624
|
||
|
|
H 0.00000000 -1.41439715 0.73888624
|