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)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.14400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01443
-0.03124
2
0.00000
-0.01443
0.03124
3
0.00000
0.02962
0.01953
4
0.00000
0.02962
-0.01953
5
0.00000
0.02818
-0.00387
6
0.00000
0.02818
0.00387
7
0.00000
-0.01580
-0.00370
8
0.00000
-0.01580
0.00370
9
0.00000
-0.05861
0.07585
10
0.00000
-0.05861
-0.07585
11
0.00000
-0.00512
0.01909
12
0.00000
-0.00512
-0.01909
13
0.00000
0.05350
-0.02108
14
0.00000
0.05350
0.02108
15
0.00000
-0.03225
-0.03452
16
0.00000
-0.03225
0.03452
17
0.00000
0.00542
-0.00446
18
0.00000
0.00542
0.00446
19
0.00000
-0.00225
0.00072
20
0.00000
-0.00225
-0.00072
21
0.00000
-0.03810
0.18904
22
0.00000
-0.03810
-0.18905
23
0.00000
-0.00501
0.02508
24
0.00000
-0.00501
-0.02508
25
0.00000
-0.21467
0.13036
26
0.00000
-0.21468
-0.13036
27
0.00000
0.37577
-0.17590
28
0.00000
0.37577
0.17590
29
0.00000
0.00652
-0.01203
30
0.00000
0.00652
0.01203
31
0.00000
0.01552
0.01089
32
0.00000
0.01552
-0.01089