|
901 | 901 | shapeIndex = 2, |
902 | 902 | epsilon = (3467.15,'J/mol'), |
903 | 903 | sigma = (3.69,'angstroms'), |
904 | | - dipoleMoment = (1.7,'C*m'), |
| 904 | + dipoleMoment = (1.7,'De'), |
905 | 905 | polarizability = (0,'angstroms^3'), |
906 | 906 | rotrelaxcollnum = 2.0, |
907 | 907 | ), |
|
1186 | 1186 | shapeIndex = 2, |
1187 | 1187 | epsilon = (3467.15,'J/mol'), |
1188 | 1188 | sigma = (3.69,'angstroms'), |
1189 | | - dipoleMoment = (1.7,'C*m'), |
| 1189 | + dipoleMoment = (1.7,'De'), |
1190 | 1190 | polarizability = (0,'angstroms^3'), |
1191 | 1191 | rotrelaxcollnum = 2.0, |
1192 | 1192 | ), |
|
1458 | 1458 | shapeIndex = 2, |
1459 | 1459 | epsilon = (4759.22,'J/mol'), |
1460 | 1460 | sigma = (2.605,'angstroms'), |
1461 | | - dipoleMoment = (1.844,'C*m'), |
| 1461 | + dipoleMoment = (1.844,'De'), |
1462 | 1462 | polarizability = (0,'angstroms^3'), |
1463 | 1463 | rotrelaxcollnum = 4.0, |
1464 | 1464 | ), |
|
2037 | 2037 | shapeIndex = 2, |
2038 | 2038 | epsilon = (3999.27,'J/mol'), |
2039 | 2039 | sigma = (2.92,'angstroms'), |
2040 | | - dipoleMoment = (1.47,'C*m'), |
| 2040 | + dipoleMoment = (1.47,'De'), |
2041 | 2041 | polarizability = (0,'angstroms^3'), |
2042 | 2042 | rotrelaxcollnum = 10.0, |
2043 | 2043 | ), |
|
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