Dipole vector (in atomic units): 247.14 -251.62 -48.43
Mass Moments vector: 1503.41 1095.24 1222.65
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| show separated chains | No. of Chains=4 | Spherical | THE CRYSTAL STRUCTURE OF THE BET3-TRS33-BET5-TRS23 COMP | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 5247. | 665. | 741.97 | 67. | 79. | -9. | 1710. | 6009. | -0.0017 | 0.3259 |
| No.Dev.Units | 2.96 | 2.95 | 3.19 | 2.53 | 2.59 | -0.75 | 2.79 | 1.06 | -0.06 | -0.15 |
| Dipole vector (in atomic units): 247.14 -251.62 -48.43 Mass Moments vector: 1503.41 1095.24 1222.65
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