mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-27 06:43:47 +01:00
16 lines
886 B
Plaintext
16 lines
886 B
Plaintext
14
|
|
Nitropyridine N-Oxide,^1A_1,CCSD(T),cc-pVTZ
|
|
C 0.00000000 0.00000000 -0.64421083
|
|
C 1.20030756 0.00000000 0.04782708
|
|
C -1.20030756 0.00000000 0.04782708
|
|
C 1.18000314 0.00000000 1.42139690
|
|
C -1.18000314 0.00000000 1.42139690
|
|
N 0.00000000 0.00000000 -2.09927042
|
|
N 0.00000000 0.00000000 2.11989049
|
|
O 0.00000000 0.00000000 3.38124092
|
|
O -1.08692023 0.00000000 -2.65878999
|
|
O 1.08692023 0.00000000 -2.65878999
|
|
H 2.13518725 0.00000000 -0.48122988
|
|
H -2.13518725 0.00000000 -0.48122988
|
|
H 2.05466020 0.00000000 2.04498743
|
|
H -2.05466020 0.00000000 2.04498743 |