Sulfanylidenecadmium
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 2.95 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 11.63 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 6.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 35.94 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.89 | J mol-1 K-1 |
| Rotational | 69.87 | J mol-1 K-1 |
| Vibrational | 5.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 246.24 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 241.23 | kJ mol-1 |
Molecular Orbitals
- 1 -26202.14 eV View
- 2 -4230.69 eV View
- 3 -4020.53 eV View
- 4 -4020.45 eV View
- 5 -4020.45 eV View
- 6 -2471.36 eV View
- 7 -957.97 eV View
- 8 -874.12 eV View
- 9 -873.66 eV View
- 10 -873.66 eV View
- 11 -316.04 eV View
- 12 -315.24 eV View
- 13 -315.24 eV View
- 14 -314.53 eV View
- 15 -314.53 eV View
- 16 -237.02 eV View
- 17 -172.70 eV View
- 18 -172.56 eV View
- 19 -172.56 eV View
- 20 -172.42 eV View
- 21 -126.61 eV View
- 22 -125.68 eV View
- 23 -125.68 eV View
- 24 -22.33 eV View
- 25 -12.96 eV View
- 26 -12.34 eV View
- 27 -12.34 eV View
- 28 -10.92 eV View
- 29 -10.92 eV View
- 30 -9.45 eV View
- 31 -7.67 eV View
- 32 -7.67 eV View
- 33 0.21 eV View
- 34 2.39 eV View
- 35 2.39 eV View
- 36 8.12 eV View
- 37 18.46 eV View
- 38 349.66 eV View
Calculation failed
INPUT FOR ISOTROPIC DIELECTRICS-------------------------------
EPS= 78.39
INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS EPS
1 0.9865 0.0947 -0.0142 0.0000 78.3900
2 3.2994 0.0947 -0.0142 1.8500 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Sun Apr 5 11:41:01 2020