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 | 48.18 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 58.10 | 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 | 138.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 171.66 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.98 | J mol-1 K-1 |
| Rotational | 110.56 | J mol-1 K-1 |
| Vibrational | 205.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 475.42 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 392.63 | kJ mol-1 |
Molecular Orbitals
- 1 -63.48 eV View
- 2 -63.32 eV View
- 3 -63.30 eV View
- 4 -63.21 eV View
- 5 -63.19 eV View
- 6 -63.14 eV View
- 7 -63.06 eV View
- 8 -63.01 eV View
- 9 -7.18 eV View
- 10 -4.63 eV View
- 11 -4.24 eV View
- 12 -4.20 eV View
- 13 2.22 eV View
- 14 2.27 eV View
- 15 2.38 eV View
- 16 2.41 eV View
- 17 2.77 eV View
- 18 3.64 eV View
- 19 3.85 eV View
- 20 4.33 eV View
- 21 4.55 eV View
- 22 5.46 eV View
- 23 5.51 eV View
- 24 7.86 eV View
- 25 8.04 eV View
- 26 8.19 eV View
- 27 8.23 eV View
- 28 9.53 eV View
- 29 10.60 eV View
- 30 11.11 eV View
- 31 11.53 eV View
- 32 12.25 eV View
- 33 13.11 eV View
- 34 14.46 eV View
- 35 15.70 eV View
- 36 15.95 eV View
- 37 19.29 eV View
- 38 22.04 eV View
- 39 23.10 eV View
- 40 24.68 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 36.65 cm-1 View
- 2 43.47 cm-1 View
- 3 58.94 cm-1 View
- 4 62.05 cm-1 View
- 5 127.28 cm-1 View
- 6 131.97 cm-1 View
- 7 135.15 cm-1 View
- 8 137.69 cm-1 View
- 9 143.32 cm-1 View
- 10 156.83 cm-1 View
- 11 194.38 cm-1 View
- 12 204.52 cm-1 View
- 13 249.92 cm-1 View
- 14 252.69 cm-1 View
- 15 292.53 cm-1 View
- 16 326.96 cm-1 View
- 17 336.72 cm-1 View
- 18 351.54 cm-1 View
Calculation failed
ATOM COORDINATES RADIUS EPS1 -0.8920 0.9491 -1.6359 0.0000 78.3900
2 -0.0218 -0.8096 -2.2590 0.0000 78.3900
3 1.7598 0.1614 -2.5383 0.0000 78.3900
4 1.1077 -2.6405 -1.6083 0.0000 78.3900
5 -0.8391 0.2828 -4.0606 0.0000 78.3900
6 0.3218 -1.9029 -3.8607 0.0000 78.3900
7 0.2303 -0.6942 -0.1896 0.0000 78.3900
8 -1.8087 -1.7722 -2.0262 0.0000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Jul 8 02:52:54 2020