Currently this section contains Gaussian94/98/03 input files of QCISD/MG3 optimized geometries.
Input Files for Some Elements
| H | He | Li | Be | B | C |
| N | O | F | Ne | Na | Mg |
| Al | Si | P | S | Cl | Ar |
Input Files for All Cations in Database/3
| C+ | S+ | SH+ (3) | Cl+ (3) | Cl2+ (2) | OH+ (3) |
| O+ | O2+ (2) | P+ | PH+ (2) | PH2+ (3) | S2+ (2) |
| Si+ | Li+ | Be+ | B+ | N+ | F+ |
| Na+ | Mg+ | Al+ | Cl+ | AlO+ | NH3+ |
| CN+ | Na2+ | O3+ | CF+ | CH3+ | Al2+ |
| SiH+ | FO+ | PO+ | AlF+ | NaLi+ | MgCl+ |
Input Files for All Anions in Database/3
| C- | S- | SH- (1) | Cl- | Cl2- (2) | O- |
| OH- (1) | O2- (2) | P- | PH- (2) | PH2- (1) | S2- (2) |
| Si- | H- | Li- | B- | F- | Na- |
| Al- | AlO- | NH- | CN- | CH- | CH2- |
| O3- | LiCl- | NaF- | SiH- | MgCl- | Na2- |
| HNO- | MgH- | Al3- | FO- | PO- | BeH- |
Input Files for Saddle Points of the 22 Reactions in Database/3
Input Files for All Molecules and Radicals in Database/3