Root No. 1 2 3 4 5 6 7 8 1 ag 1 b1u 1 b2u 2 ag 1 b3g 1 b3u 1 b2g 2 b2u -33.157 -21.889 -15.794 -14.303 -11.836 -10.552 1.438 4.010 S C 1 -0.6229 -0.4840 0.0000 -0.0028 0.0000 0.0000 0.0000 0.0000 Px C 1 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7071 0.7071 0.0000 Py C 1 0.1784 -0.2911 0.0000 -0.6011 0.0000 0.0000 0.0000 0.0000 Pz C 1 0.0000 0.0000 0.5427 0.0000 0.4630 0.0000 0.0000 -0.4532 S C 2 -0.6229 0.4840 0.0000 -0.0028 0.0000 0.0000 0.0000 0.0000 Px C 2 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7071 -0.7071 0.0000 Py C 2 -0.1784 -0.2911 0.0000 0.6011 0.0000 0.0000 0.0000 0.0000 Pz C 2 0.0000 0.0000 0.5427 0.0000 -0.4630 0.0000 0.0000 -0.4532 S H 3 -0.2002 -0.3009 -0.3205 -0.2634 -0.3779 0.0000 0.0000 -0.3838 S H 4 -0.2002 -0.3009 0.3205 -0.2634 0.3779 0.0000 0.0000 0.3838 S H 5 -0.2002 0.3009 0.3205 -0.2634 -0.3779 0.0000 0.0000 0.3838 S H 6 -0.2002 0.3009 -0.3205 -0.2634 0.3779 0.0000 0.0000 -0.3838 Root No. 9 10 11 12 2 b1u 3 ag 2 b3g 3 b1u 4.396 5.083 5.559 5.792 S C 1 -0.4078 -0.3346 0.0000 -0.3154 Px C 1 0.0000 0.0000 0.0000 0.0000 Py C 1 -0.1409 -0.3270 0.0000 0.6288 Pz C 1 0.0000 0.0000 -0.5345 0.0000 S C 2 0.4078 -0.3346 0.0000 0.3154 Px C 2 0.0000 0.0000 0.0000 0.0000 Py C 2 -0.1409 0.3270 0.0000 0.6288 Pz C 2 0.0000 0.0000 0.5345 0.0000 S H 3 0.3961 0.3749 -0.3274 -0.0505 S H 4 0.3961 0.3749 0.3274 -0.0505 S H 5 -0.3961 0.3749 -0.3274 0.0505 S H 6 -0.3961 0.3749 0.3274 0.0505