Title: | OCH3_prot_ket |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/200923 |
Program: | Gaussian 09 AM64L-G09RevD.01 |
Author: | Laconsay, Croix |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RM062X |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
3.1756 | 3.7017 | -0.7512 | 4.9347 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-63.7102 | -68.3630 | -87.6511 | 5.0737 | 1.5884 | 4.2270 |