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)
-768.18063
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)
0.04800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03613
-0.03319
0.00000
2
-0.04827
-0.06178
0.00000
3
-0.04038
0.07382
0.00000
4
-0.01758
-0.01718
0.00000
5
-0.02213
-0.00831
0.00000
6
-0.02536
-0.03370
0.00000
7
0.03861
0.02222
0.00000
8
0.06552
-0.02412
0.00000
9
0.02461
-0.00033
0.00000
10
0.03814
0.02858
0.00000
11
-0.05265
0.09309
0.00000
12
-0.04494
-0.00868
0.00000
13
0.00687
-0.01333
0.00000
14
0.06995
0.05327
0.00000
15
0.00175
-0.00360
0.00000
16
-0.01009
0.02179
0.00000
17
0.05276
-0.03996
0.00000
18
0.01318
-0.03022
0.00000
19
-0.04815
0.07348
0.00000
20
0.03781
-0.04400
0.00000
21
0.07493
-0.01813
0.00000
22
0.04883
-0.08651
0.00000
23
-0.00508
-0.09388
0.00000
24
-0.01729
0.09125
0.00000
25
-0.05904
-0.03735
0.00000
26
0.01581
0.01660
0.00000
27
0.13607
-0.01739
0.00000
28
-0.14076
0.00063
0.00000
29
-0.16192
0.05154
0.00000
30
0.06370
-0.08161
0.00000
31
0.01026
-0.19069
0.00000
32
-0.00735
-0.20422
0.00000