Title: | /Gas_Opt/M06_2X/CC/SOLV SOLV |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/17980 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | González Fabra, Joan |
Formula: | C 7 H 12 O 3 |
Calculation type: | Single point Structure |
Method(s): | RM062X |
Charge / Multiplicity: | 0 1 |
Full point group | C1 | NOp | 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | UFF |
Solvent | 1-Hexanol |
Eps= 12.510000 | |
Eps(inf)= 2.010157 |