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Freq, cm-1 Calc. Intensity Expt, cm-1
390 (A2) forbidden
414 (B1) rocking ring mode 4.3
402
588 (A1) in plane ring mode 5.4
601
643 (B2) planar ring distortion 0.3
695 (B1) oop C-H bend 57.0
700
750 (B1) oop C-H bend 17.6
744
882 (A2) forbidden
960 (B1) oop C-H bend 0.3
977 (A1) sym ring breathing 6.2
988
1003 (A1) sym ring breathing 6.5 1028
1005 (A2) forbidden
1012 (B1) oop C-H bend 0.4
1038 (B2) in plane C-C wag 3.2
1055 (A1) sym C-H wag 3.1
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Freq, cm-1 Calc. Intensity Expt, cm-1
1059 (B2) C-H wag 6.4
1173 (B2) C-H wag 0.2
1203 (A1) sym C-H wag 5.2 1214
1349
(B2)
C-H wag 0.8
1436 (B2) in plane C-H wag 39.0 1433
1483 (A1) sym C-H wag 7.7 1480
1599 (B2) C-C,C-H wag 19.3
1608 (A1) sym wag-stretch 40.5 1580
3003 (A1) sym C-H stretch 1.8
3005 (B2) C-H stretch 23.8
3013 (A1) sym C-H stretch 28.6
3029 (B2) asym C-H stretch 46.8 3023
3036 (A1) sym C-H stretch 4.4
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