Charge: 2
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+2
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.70700
Diff mu Y
(Debye)
0.76800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03712
0.01051
0.00000
2
-0.01519
-0.02862
0.00000
3
0.09812
0.04175
0.00000
4
0.09220
-0.01435
0.00000
5
-0.06032
-0.00552
0.00000
6
-0.04634
-0.00028
0.00000
7
-0.03382
0.00846
0.00000
8
-0.03357
-0.02653
0.00000
9
0.02654
0.00206
0.00000
10
0.02051
-0.00053
0.00000
11
0.00445
-0.03598
0.00000
12
-0.01071
0.04562
0.00000
13
0.05591
-0.00460
0.00000
14
0.01706
0.01032
0.00000
15
-0.10185
0.04769
0.00000
16
-0.01450
-0.02651
0.00000
17
0.00291
-0.06376
0.00000
18
-0.00648
0.02755
0.00000
19
0.05139
0.02007
0.00000
20
0.00158
-0.03787
0.00000
21
-0.15813
0.14982
0.00000
22
-0.06929
-0.12746
0.00000
23
0.07267
0.13193
0.00000
24
0.08027
-0.06349
0.00000
25
-0.00907
0.05035
0.00000
26
0.07692
0.05829
0.00000
27
-0.01005
0.04135
0.00000
28
0.00031
-0.02496
0.00000
29
-0.08183
-0.00963
0.00000
30
-0.07374
0.10033
0.00000
31
0.08763
0.24927
0.00000
32
-0.04419
-0.19244
0.00000