Table 1: Vibrational wavenumbers, (cm−1), infrared intensities, (km/mol), and Raman activities, 4/amu), of the antigauche form of 2,2′-biselenophene.

Mode no.

132800.0378.7
232801.30.8
332270.2322.4
432268.914.9
5320617.75.4
632060.098.0
716310.2940.4
815734.70.1
915261.21593.9
10151529.41.3
1113900.026.9
1213524.00.4
1312880.317.9
14124127.90.6
1512301.620.3
1611101.10.5
1710970.060.2
1810720.429.2
19107211.50.3
208920.13.4
218890.10.4
228740.70.1
238380.70.8
2482931.91.6
258173.744.1
2676565.20.2
276794.51.6
28673126.51.5
296580.38.3
306280.60.4
315810.145.2
325650.81.2
335502.05.8
345141.30.7
354610.40.7
364127.63.6
373200.10.7
382460.03.1
391940.14.8
401061.70.8
411050.10.7
42220.11.9

The calculations were carried out at the PBE0/6-31 + pdd′ level.