Trimethylgallane
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 297.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 307.36 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 87.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 120.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.81 | J mol-1 K-1 |
| Rotational | 107.31 | J mol-1 K-1 |
| Vibrational | 107.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 382.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 99.65 | kJ mol-1 |
Molecular Orbitals
- 1 -10200.40 eV View
- 2 -1278.95 eV View
- 3 -1142.46 eV View
- 4 -1142.34 eV View
- 5 -1142.33 eV View
- 6 -298.20 eV View
- 7 -298.19 eV View
- 8 -298.19 eV View
- 9 -157.37 eV View
- 10 -106.45 eV View
- 11 -106.28 eV View
- 12 -106.27 eV View
- 13 -24.35 eV View
- 14 -23.58 eV View
- 15 -23.58 eV View
- 16 -13.99 eV View
- 17 -13.92 eV View
- 18 -13.91 eV View
- 19 -13.56 eV View
- 20 -13.49 eV View
- 21 -13.47 eV View
- 22 -13.08 eV View
- 23 -10.48 eV View
- 24 -10.46 eV View
- 25 -9.20 eV View
- 26 -9.20 eV View
- 27 -8.53 eV View
- 28 -7.42 eV View
- 29 -7.41 eV View
- 30 5.70 eV View
- 31 12.87 eV View
- 32 16.01 eV View
- 33 16.06 eV View
- 34 19.59 eV View
- 35 19.70 eV View
- 36 20.03 eV View
- 37 20.43 eV View
- 38 20.80 eV View
- 39 20.96 eV View
- 40 21.16 eV View
- 41 22.20 eV View
- 42 22.55 eV View
- 43 1833.45 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 46.72 cm-1 View
- 2 55.01 cm-1 View
- 3 60.87 cm-1 View
- 4 121.36 cm-1 View
- 5 158.79 cm-1 View
- 6 159.57 cm-1 View
- 7 575.35 cm-1 View
- 8 595.86 cm-1 View
- 9 603.29 cm-1 View
- 10 638.58 cm-1 View
- 11 646.12 cm-1 View
- 12 649.04 cm-1 View
- 13 733.18 cm-1 View
- 14 738.71 cm-1 View
- 15 739.35 cm-1 View
- 16 1309.75 cm-1 View
- 17 1310.20 cm-1 View
- 18 1321.52 cm-1 View
- 19 1404.41 cm-1 View
- 20 1404.46 cm-1 View
- 21 1404.67 cm-1 View
- 22 1404.98 cm-1 View
- 23 1406.03 cm-1 View
- 24 1406.75 cm-1 View
- 25 3101.88 cm-1 View
- 26 3102.47 cm-1 View
- 27 3103.85 cm-1 View
- 28 3122.44 cm-1 View
- 29 3122.88 cm-1 View
- 30 3123.94 cm-1 View
- 31 3216.83 cm-1 View
- 32 3217.43 cm-1 View
- 33 3218.82 cm-1 View
Calculation failed
5 0.7078 -0.2275 0.9179 1.2000 78.39006 0.7429 -0.8890 -0.7209 1.2000 78.3900
7 0.7149 0.8589 -0.4767 1.2000 78.3900
8 3.2120 -0.3901 2.3427 1.2000 78.3900
9 4.5731 0.5134 1.6674 1.2000 78.3900
10 4.4704 -1.2328 1.4318 1.2000 78.3900
11 3.1967 0.3778 -2.4922 1.2000 78.3900
12 4.5069 -0.6361 -1.8770 1.2000 78.3900
13 4.5167 1.1011 -1.5662 1.2000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Sat Apr 18 01:00:50 2020