|   | Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | 
| You are here: Experimental > Energy > Internal Rotation | |
| torsion index | Angle | Energy (kJ mol-1) | Energy (cm-1) | 
|---|---|---|---|
| 1 | 0 | 0.00 | 0 | 
| 1 | 15 | 0.50 | 42 | 
| 1 | 30 | 1.88 | 157 | 
| 1 | 45 | 3.77 | 315 | 
| 1 | 60 | 5.65 | 472 | 
| 1 | 75 | 7.03 | 588 | 
| 1 | 90 | 7.54 | 630 | 
| 1 | 105 | 7.03 | 588 | 
| 1 | 120 | 5.65 | 472 | 
| 1 | 130 | 4.42 | 370 | 
| 1 | 135 | 3.77 | 315 | 
| 1 | 150 | 1.88 | 157 | 
| 1 | 165 | 0.50 | 42 | 
| 1 | 180 | 0.00 | 0 | 
| 1 | 195 | 0.50 | 42 | 
| 1 | 210 | 1.88 | 157 | 
| 1 | 225 | 3.77 | 315 | 
| 1 | 230 | 4.42 | 370 | 
| 1 | 240 | 5.65 | 472 | 
| 1 | 255 | 7.03 | 588 | 
| 1 | 270 | 7.54 | 630 | 
| 1 | 285 | 7.03 | 588 | 
| 1 | 300 | 5.65 | 472 | 
| 1 | 315 | 3.77 | 315 | 
| 1 | 330 | 1.88 | 157 | 
| 1 | 345 | 0.50 | 42 | 
| 1 | 360 | 0.00 | 0 | 
Atoms in torsion 1 are 3, 1, 2, 5 
The rotor type is BCl2
 
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