Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.44700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00600
0.00424
2
0.00000
-0.00600
0.00424
3
0.00000
0.00515
0.02070
4
0.00000
-0.00515
0.02070
5
0.00000
0.03237
-0.02375
6
0.00000
-0.03237
-0.02375
7
0.00000
-0.00635
0.05861
8
0.00000
0.00635
0.05861
9
0.00000
0.00528
-0.03966
10
0.00000
-0.00528
-0.03966
11
0.00000
0.00674
-0.04971
12
0.00000
-0.00674
-0.04971
13
0.00000
0.04090
-0.06613
14
0.00000
-0.04090
-0.06613
15
0.00000
0.03403
-0.07492
16
0.00000
-0.03403
-0.07492
17
0.00000
0.00345
0.08179
18
0.00000
-0.00345
0.08179
19
0.00000
-0.00218
0.09619
20
0.00000
0.00218
0.09619
21
0.00000
0.03360
-0.07600
22
0.00000
-0.03360
-0.07600
23
0.00000
-0.02944
-0.07042
24
0.00000
0.02944
-0.07042
25
0.00000
0.06200
-0.07869
26
0.00000
-0.06200
-0.07869
27
0.00000
-0.01605
-0.02809
28
0.00000
0.01605
-0.02809
29
0.00000
0.00033
0.07217
30
0.00000
-0.00033
0.07217
31
0.00000
-0.00895
0.09348
32
0.00000
0.00895
0.09348