Dihedral angle of 2,3 diiodobutane | stretch | bend | Stretch-Bend | Torsion | Non-1,4 VDW | 1,4 VDW | Dipole/Dipole | Total Energy | ||
180 | 0.4967 | 1.629 | 0.2028 | -0.6108 | 0.0931 | 2.6687 | 1.0106 | 5.3040 kcal/mol | ||
150 | 0.4967 | 1.629 | 0.2028 | -0.4111 | 0.6503 | 2.683 | 0.9484 | 6.1991 kcal/mol | ||
120 | 0.4967 | 1.629 | 0.2028 | -0.1377 | -0.4602 | 4.083 | 1.1189 | 6.9326 kcal/mol | ||
90 | 0.4967 | 1.629 | 0.2028 | 1.3683 | -0.5147 | 8.8387 | 1.2747 | 13.2955 kcal/mol | ||
60 | 0.4967 | 1.629 | 0.2028 | 1.407 | -0.7064 | 9.0342 | 1.2861 | 13.3494 kcal/mol | ||
30 | 0.4967 | 1.629 | 0.2028 | 0.5336 | 0.7668 | 4.3609 | 1.1415 | 9.1314 kcal/mol | ||
0 | 0.4967 | 1.629 | 0.2028 | 0.8789 | 2.4805 | 2.954 | 0.967 | 9.6090 kcal/mol | ||
-30 | 0.4967 | 1.629 | 0.2028 | 1.5669 | 1.7529 | 3.9947 | 0.8435 | 10.4866 kcal/mol | ||
-60 | 0.4967 | 1.629 | 0.2028 | 0.6989 | -0.0536 | 3.5824 | 0.7749 | 7.3310 kcal/mol | ||
-90 | 0.4967 | 1.629 | 0.2028 | -0.3097 | -0.0078 | 2.5023 | 0.7448 | 5.2581 kcal/mol | ||
-120 | 0.4967 | 1.629 | 0.2028 | -0.3097 | -0.0078 | 2.5023 | 0.7448 | 5.2581 kcal/mol | ||
-150 | 0.4967 | 1.629 | 0.2028 | 2.2116 | 6.9985 | 5.7739 | 0.7694 | 18.0819 kcal/mol | ||
-180 | 0.4967 | 1.629 | 0.2028 | 1.369 | 3.6341 | 4.8246 | 0.8324 | 12.9887 kcal/mol | ||
3D Model of 2,3 diiodobutane | ||||||||||
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