Difference between revisions of "Marshaluke"
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==NH<sub>3</sub> Molecule== | ==NH<sub>3</sub> Molecule== | ||
| − | + | ===Calculation Data=== | |
| + | {| class="wikitable" | ||
| + | |Log file name|| LAM_OPT_NH3_POP.log | ||
| + | |- | ||
| + | |Molecule|| NH<sub>3</sub> | ||
| + | |- | ||
| + | |Method|| RB3LYP | ||
| + | |- | ||
| + | |Basis Set|| 6-31G(d,p) | ||
| + | |- | ||
| + | |Final Energy|| -56.557769 | ||
| + | |- | ||
| + | |RMS Gradient|| 1.53e-07 | ||
| + | |- | ||
| + | |Point Group|| C3v | ||
| + | |} | ||
==Project Molecule== | ==Project Molecule== | ||
Revision as of 03:04, 7 April 2025
NH3 Molecule
Calculation Data
| Log file name | LAM_OPT_NH3_POP.log |
| Molecule | NH3 |
| Method | RB3LYP |
| Basis Set | 6-31G(d,p) |
| Final Energy | -56.557769 |
| RMS Gradient | 1.53e-07 |
| Point Group | C3v |
