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)
0.26600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04017
0.00778
2
0.00000
-0.04017
-0.00778
3
0.00000
0.00783
0.00419
4
0.00000
0.00783
-0.00419
5
0.00000
0.02264
0.00582
6
0.00000
0.02264
-0.00582
7
0.00000
-0.03289
-0.00415
8
0.00000
-0.03289
0.00415
9
0.00000
-0.01184
-0.01991
10
0.00000
-0.01184
0.01991
11
0.00000
0.03675
0.05411
12
0.00000
0.03675
-0.05411
13
0.00000
0.02577
-0.05833
14
0.00000
0.02577
0.05833
15
0.00000
-0.05986
0.00337
16
0.00000
-0.05986
-0.00337
17
0.00000
0.04408
0.01107
18
0.00000
0.04408
-0.01107
19
0.00000
-0.02232
-0.00066
20
0.00000
-0.02232
0.00066
21
0.00000
-0.06610
0.06692
22
0.00000
-0.06610
-0.06692
23
0.00000
0.24909
0.18930
24
0.00000
0.24909
-0.18930
25
0.00000
0.28408
-0.20731
26
0.00000
0.28408
0.20731
27
0.00000
-0.01773
-0.01694
28
0.00000
-0.01773
0.01694
29
0.00000
0.04799
0.13653
30
0.00000
0.04799
-0.13653
31
0.00000
-0.14001
-0.07092
32
0.00000
-0.14001
0.07092