lithium lithium lithium 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 | 89.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 98.97 | 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 | 113.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.83 | J mol-1 K-1 |
| Rotational | 109.94 | J mol-1 K-1 |
| Vibrational | 124.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 394.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -72.05 | kJ mol-1 |
Molecular Orbitals
- 1 -553.33 eV View
- 2 -64.40 eV View
- 3 -63.55 eV View
- 4 -63.49 eV View
- 5 -63.35 eV View
- 6 -63.08 eV View
- 7 -62.91 eV View
- 8 -34.50 eV View
- 9 -16.72 eV View
- 10 -12.26 eV View
- 11 -12.09 eV View
- 12 -10.51 eV View
- 13 -4.47 eV View
- 14 -2.98 eV View
- 15 2.34 eV View
- 16 2.95 eV View
- 17 3.40 eV View
- 18 3.69 eV View
- 19 4.21 eV View
- 20 4.58 eV View
- 21 4.67 eV View
- 22 6.72 eV View
- 23 6.98 eV View
- 24 7.38 eV View
- 25 7.96 eV View
- 26 9.29 eV View
- 27 9.70 eV View
- 28 10.07 eV View
- 29 11.09 eV View
- 30 13.00 eV View
- 31 14.49 eV View
- 32 15.89 eV View
- 33 18.32 eV View
- 34 19.78 eV View
- 35 20.14 eV View
- 36 21.51 eV View
- 37 23.80 eV View
Calculation failed
1 -3.3540 1.7655 -1.7734 1.5000 78.39002 -3.9281 1.7481 -2.5264 1.2000 78.3900
3 -2.1525 2.7400 0.6603 1.2000 78.3900
4 0.5931 3.6879 -1.9096 0.0000 78.3900
5 -1.3353 2.8184 -0.9636 0.0000 78.3900
6 -2.9636 1.2273 -0.0458 0.0000 78.3900
7 -1.5396 1.1190 -2.0291 0.0000 78.3900
8 -0.3677 2.1512 0.6039 0.0000 78.3900
9 -3.0187 3.5127 -0.9064 0.0000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Oct 14 18:13:52 2020