Charge: -1
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-1
Electronic States
Energy
(eV)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00300
Diff mu Y
(Debye)
0.30600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.08398
0.01610
0.00000
2
0.08134
0.04050
0.00000
3
-0.03240
-0.02860
0.00000
4
-0.03539
-0.00805
0.00000
5
-0.00750
-0.00975
0.00000
6
-0.02326
0.00802
0.00000
7
-0.00823
0.03880
0.00000
8
0.01172
-0.02845
0.00000
9
-0.00256
-0.03078
0.00000
10
-0.00463
0.02581
0.00000
11
-0.03081
-0.01453
0.00000
12
-0.00002
-0.01241
0.00000
13
-0.00937
0.00241
0.00000
14
-0.00949
-0.01606
0.00000
15
0.01678
0.01092
0.00000
16
-0.00076
0.00761
0.00000
17
0.01037
-0.01612
0.00000
18
0.00403
0.01974
0.00000
19
0.01016
0.00094
0.00000
20
-0.00416
-0.00103
0.00000
21
-0.24541
0.31332
0.00000
22
-0.09204
-0.35354
0.00000
23
-0.08889
-0.29387
0.00000
24
-0.16691
0.21077
0.00000
25
0.06255
0.18171
0.00000
26
0.01041
0.07096
0.00000
27
0.14893
-0.19657
0.00000
28
-0.18909
-0.03062
0.00000
29
0.12399
0.02865
0.00000
30
-0.12332
0.15777
0.00000
31
0.00868
-0.01911
0.00000
32
-0.04174
-0.12996
0.00000