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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.07600
Diff mu Y
(Debye)
0.00700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03037
0.10599
0.00000
2
-0.01285
-0.10055
0.00000
3
-0.03871
-0.02190
0.00000
4
0.00312
-0.04051
0.00000
5
-0.01560
0.01175
0.00000
6
0.00997
0.03274
0.00000
7
0.03734
-0.05619
0.00000
8
-0.00522
0.05598
0.00000
9
0.00388
-0.04755
0.00000
10
-0.02077
0.04398
0.00000
11
-0.05285
0.00384
0.00000
12
0.01796
0.07122
0.00000
13
-0.03609
-0.04488
0.00000
14
0.05449
-0.03564
0.00000
15
0.09556
0.00247
0.00000
16
-0.04133
-0.01117
0.00000
17
0.00209
0.01444
0.00000
18
0.02043
-0.02605
0.00000
19
-0.00781
-0.01479
0.00000
20
-0.00246
0.05547
0.00000
21
-0.09170
0.09700
0.00000
22
-0.05889
-0.09528
0.00000
23
0.05812
0.10624
0.00000
24
0.05802
-0.04213
0.00000
25
-0.06292
-0.16193
0.00000
26
-0.03257
-0.02197
0.00000
27
-0.07400
0.11822
0.00000
28
-0.06548
-0.01561
0.00000
29
-0.15225
-0.05092
0.00000
30
-0.05890
0.05563
0.00000
31
0.01079
0.05310
0.00000
32
-0.02443
-0.02638
0.00000