lithium
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 | 54.58 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 64.50 | 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 | 120.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 153.76 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.68 | J mol-1 K-1 |
| Rotational | 115.34 | J mol-1 K-1 |
| Vibrational | 108.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 390.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1510.94 | kJ mol-1 |
Molecular Orbitals
- 1 -704.34 eV View
- 2 -704.34 eV View
- 3 -704.34 eV View
- 4 -704.34 eV View
- 5 -63.07 eV View
- 6 -63.04 eV View
- 7 -63.04 eV View
- 8 -63.04 eV View
- 9 -37.43 eV View
- 10 -37.22 eV View
- 11 -37.22 eV View
- 12 -37.22 eV View
- 13 -12.93 eV View
- 14 -11.99 eV View
- 15 -11.99 eV View
- 16 -11.86 eV View
- 17 -11.86 eV View
- 18 -11.86 eV View
- 19 -10.74 eV View
- 20 -10.74 eV View
- 21 -10.74 eV View
- 22 -10.65 eV View
- 23 -10.65 eV View
- 24 -10.65 eV View
- 25 3.21 eV View
- 26 4.48 eV View
- 27 4.48 eV View
- 28 4.48 eV View
- 29 8.28 eV View
- 30 8.28 eV View
- 31 8.28 eV View
- 32 10.01 eV View
- 33 10.01 eV View
- 34 11.45 eV View
- 35 12.30 eV View
- 36 12.30 eV View
- 37 12.30 eV View
- 38 19.38 eV View
- 39 19.38 eV View
- 40 19.38 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 182.89 cm-1 View
- 2 182.91 cm-1 View
- 3 190.51 cm-1 View
- 4 190.52 cm-1 View
- 5 190.55 cm-1 View
- 6 267.76 cm-1 View
- 7 284.62 cm-1 View
- 8 284.71 cm-1 View
- 9 284.72 cm-1 View
- 10 331.74 cm-1 View
- 11 331.81 cm-1 View
- 12 334.87 cm-1 View
- 13 334.88 cm-1 View
- 14 334.88 cm-1 View
- 15 529.61 cm-1 View
- 16 545.11 cm-1 View
- 17 545.14 cm-1 View
- 18 545.15 cm-1 View
Calculation failed
ATOM COORDINATES RADIUS EPS1 1.8868 1.2314 -1.0261 1.3500 78.3900
2 2.1829 -1.4997 0.0286 1.3500 78.3900
3 0.8412 0.5632 1.6420 1.3500 78.3900
4 -0.4719 -0.5082 -0.7635 1.3500 78.3900
5 1.3475 -0.5993 -1.5100 0.0000 78.3900
6 2.5103 0.3494 0.6200 0.0000 78.3900
7 0.4217 -1.1909 0.8525 0.0000 78.3900
8 0.1595 1.2273 -0.0814 0.0000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Sat Mar 21 21:18:44 2020