Title: | /Paper/Outputs_Inputs_CGET/KIE_110/TS_H_Cpstar_II_III TS_H_Cpstar_II_III |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/23685 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | García, Cristina |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RwB97XD |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
2.2016 | -7.6610 | -4.4409 | 9.1247 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-111.1455 | -130.9688 | -135.8207 | 6.6503 | 6.9330 | -2.7358 |