Charge: 0
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
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
-1.26100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01801
0.03898
2
0.00000
0.01801
0.03897
3
0.00000
-0.02765
-0.04363
4
0.00000
0.02765
-0.04363
5
0.00000
0.03306
-0.05251
6
0.00000
-0.03306
-0.05251
7
0.00000
0.02898
0.00172
8
0.00000
-0.02898
0.00172
9
0.00000
0.00704
0.01646
10
0.00000
-0.00704
0.01646
11
0.00000
0.05887
0.01275
12
0.00000
-0.05887
0.01275
13
0.00000
-0.05945
0.01847
14
0.00000
0.05945
0.01846
15
0.00000
-0.00061
0.04477
16
0.00000
0.00061
0.04477
17
0.00000
-0.01601
0.01204
18
0.00000
0.01601
0.01204
19
0.00000
0.02896
0.00309
20
0.00000
-0.02896
0.00309
21
0.00000
0.00056
-0.30618
22
0.00000
-0.00056
-0.30617
23
0.00000
-0.22493
-0.16721
24
0.00000
0.22494
-0.16721
25
0.00000
0.22485
-0.14200
26
0.00000
-0.22484
-0.14199
27
0.00000
-0.03263
0.04276
28
0.00000
0.03262
0.04275
29
0.00000
-0.01823
0.00799
30
0.00000
0.01823
0.00798
31
0.00000
-0.07198
-0.05596
32
0.00000
0.07198
-0.05597