MolCalcThe Molecule Calculator

Buta-1,3-diene

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -300.18 eV View
2 -300.18 eV View
3 -299.76 eV View
4 -299.76 eV View
5 -28.17 eV View
6 -25.65 eV View
7 -20.98 eV View
8 -19.23 eV View
9 -16.18 eV View
10 -15.95 eV View
11 -13.53 eV View
12 -13.46 eV View
13 -11.90 eV View
14 -10.85 eV View
15 -7.21 eV View
16 6.73 eV View
17 11.41 eV View
18 15.77 eV View
19 17.96 eV View
20 18.62 eV View
21 18.88 eV View
22 19.27 eV View
23 23.60 eV View
24 25.20 eV View
25 27.48 eV View
26 29.60 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 86.74 cm^-1 View
2 334.91 cm^-1 View
3 510.35 cm^-1 View
4 530.48 cm^-1 View
5 707.55 cm^-1 View
6 914.95 cm^-1 View
7 924.51 cm^-1 View
8 942.46 cm^-1 View
9 963.60 cm^-1 View
10 1017.70 cm^-1 View
11 1041.35 cm^-1 View
12 1193.93 cm^-1 View
13 1208.08 cm^-1 View
14 1267.66 cm^-1 View
15 1321.30 cm^-1 View
16 1377.12 cm^-1 View
17 1824.52 cm^-1 View
18 1873.32 cm^-1 View
19 3033.42 cm^-1 View
20 3041.02 cm^-1 View
21 3135.82 cm^-1 View
22 3136.46 cm^-1 View
23 3147.73 cm^-1 View
24 3148.28 cm^-1 View