Title: | L5b_S1_DMM_olefin_exo_S_trans |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/9039 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Biosca, Maria |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | RB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
-1.3991 | -12.1465 | 3.9929 | 12.8623 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-381.7743 | -473.1029 | -420.2839 | -13.3321 | -3.0231 | 29.5693 |