2020-08-31 17:22:15 +02:00
|
|
|
4
|
2020-09-27 16:41:49 +02:00
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|
|
\ce{CH3},^2A_2^{\prime\prime},CC3,aug-cc-pVTZ
|
2020-08-31 17:22:15 +02:00
|
|
|
C 0.00000000 0.00000000 0.00000000
|
|
|
|
|
H 0.00000000 0.00000000 1.07623800
|
|
|
|
|
H 0.00000000 0.93205000 -0.53811900
|
|
|
|
|
H 0.00000000 -0.93205000 -0.53811900
|
