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)
-0.47300
Diff mu Y
(Debye)
-0.20100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05577
0.02742
0.00000
2
0.01839
0.03833
0.00000
3
-0.01680
-0.03817
0.00000
4
0.04621
-0.01979
0.00000
5
0.08139
-0.03004
0.00000
6
-0.02986
-0.04820
0.00000
7
0.01911
0.03180
0.00000
8
-0.02838
-0.03982
0.00000
9
0.01670
0.00966
0.00000
10
-0.04935
0.06195
0.00000
11
0.01797
0.02823
0.00000
12
-0.03974
0.00222
0.00000
13
-0.03652
-0.03005
0.00000
14
0.01158
-0.03394
0.00000
15
0.00939
0.00804
0.00000
16
0.06691
0.03351
0.00000
17
-0.01726
-0.00397
0.00000
18
0.00210
-0.01750
0.00000
19
0.02871
0.00050
0.00000
20
-0.00420
0.02499
0.00000
21
0.04200
0.01018
0.00000
22
0.01423
0.08024
0.00000
23
-0.07165
-0.26573
0.00000
24
0.23547
-0.25597
0.00000
25
-0.03584
0.03215
0.00000
26
0.04769
0.24465
0.00000
27
-0.19116
0.19728
0.00000
28
-0.25748
-0.02631
0.00000
29
-0.14379
-0.03959
0.00000
30
-0.06622
0.05149
0.00000
31
-0.01537
0.01469
0.00000
32
-0.04132
-0.10473
0.00000