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Vibrational Eigenvectors for CF2Cl2 (difluorodichloromethane) calculated at CCSD(T)/cc-pVTZ

20 06 02 16 59

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mode index mode number symmetry frequency cm-1 IR Intensity reduced mass description
1 1 A1 1141   13.6009 description
2 2 A1 674   18.1978 description
3 3 A1 460   25.6054 description
4 4 A1 262   27.3381 description
5 5 A2 324   21.2035 description
6 6 B1 923   12.7309 description
7 7 B1 440   25.609 description
8 8 B2 1211   13.3989 description
9 9 B2 439   18.5531 description

Cartesians and Vibrational Eigenvectors

Cartesians
atom indexAtom typexyz
1 6 0.00000 0.00000 0.34056
2 9 0.00000 1.07643 1.12206
3 9 0.00000 -1.07643 1.12206
4 17 1.46119 0.00000 -0.65413
5 17 -1.46119 0.00000 -0.65413
Vibrational Eigenvectors
mode index mode number frequency atom index evx evy evz
1 1 1140.505 C1 0.00 0.00 0.88
1 1 1140.505 F2 0.00 -0.23 -0.24
1 1 1140.505 F3 0.00 0.23 -0.24
1 1 1140.505 Cl4 0.01 0.00 -0.02
1 1 1140.505 Cl5 -0.01 0.00 -0.02
2 2 674.2329 C1 0.00 0.00 0.52
2 2 674.2329 F2 0.00 0.57 0.08
2 2 674.2329 F3 0.00 -0.57 0.08
2 2 674.2329 Cl4 0.13 0.00 -0.13
2 2 674.2329 Cl5 -0.13 0.00 -0.13
3 3 460.3921 C1 0.00 0.00 0.03
3 3 460.3921 F2 0.00 -0.33 0.43
3 3 460.3921 F3 0.00 0.33 0.43
3 3 460.3921 Cl4 0.39 0.00 -0.24
3 3 460.3921 Cl5 -0.39 0.00 -0.24
4 4 262.2021 C1 0.00 0.00 -0.30
4 4 262.2021 F2 0.00 0.08 -0.41
4 4 262.2021 F3 0.00 -0.08 -0.41
4 4 262.2021 Cl4 0.45 0.00 0.27
4 4 262.2021 Cl5 -0.45 0.00 0.27
5 5 323.739 C1 0.00 0.00 0.00
5 5 323.739 F2 0.66 0.00 0.00
5 5 323.739 F3 -0.66 0.00 0.00
5 5 323.739 Cl4 0.00 0.26 0.00
5 5 323.739 Cl5 0.00 -0.26 0.00
6 6 922.8097 C1 0.97 0.00 0.00
6 6 922.8097 F2 -0.12 0.00 0.00
6 6 922.8097 F3 -0.12 0.00 0.00
6 6 922.8097 Cl4 -0.10 0.00 0.03
6 6 922.8097 Cl5 -0.10 0.00 -0.03
7 7 440.3482 C1 -0.04 0.00 0.00
7 7 440.3482 F2 0.54 0.00 0.00
7 7 440.3482 F3 0.54 0.00 0.00
7 7 440.3482 Cl4 -0.29 0.00 0.35
7 7 440.3482 Cl5 -0.29 0.00 -0.35
8 8 1211.379 C1 0.00 0.89 0.00
8 8 1211.379 F2 0.00 -0.26 -0.17
8 8 1211.379 F3 0.00 -0.26 0.17
8 8 1211.379 Cl4 0.00 -0.01 0.00
8 8 1211.379 Cl5 0.00 -0.01 0.00
9 9 439.058 C1 0.00 0.52 0.00
9 9 439.058 F2 0.00 0.22 0.52
9 9 439.058 F3 0.00 0.22 -0.52
9 9 439.058 Cl4 0.00 -0.21 0.00
9 9 439.058 Cl5 0.00 -0.21 0.00