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)
0.00000
Diff mu Z
(Debye)
-0.13200
Eigenvectors
#
X
Y
Z
1
0.00000
0.04235
-0.02438
2
0.00000
-0.04235
-0.02437
3
0.00000
-0.07566
0.01032
4
0.00000
0.07566
0.01032
5
0.00000
-0.03514
0.02586
6
0.00000
0.03514
0.02586
7
0.00000
0.05721
0.00341
8
0.00000
-0.05721
0.00341
9
0.00000
-0.04666
0.00083
10
0.00000
0.04666
0.00083
11
0.00000
0.05797
-0.00233
12
0.00000
-0.05797
-0.00233
13
0.00000
0.07511
-0.06440
14
0.00000
-0.07511
-0.06440
15
0.00000
-0.04026
0.06557
16
0.00000
0.04026
0.06557
17
0.00000
-0.02174
-0.01656
18
0.00000
0.02174
-0.01656
19
0.00000
0.03521
0.01518
20
0.00000
-0.03521
0.01518
21
0.00000
-0.04603
-0.09670
22
0.00000
0.04603
-0.09670
23
0.00000
-0.09020
-0.09874
24
0.00000
0.09020
-0.09874
25
0.00000
-0.13286
0.04684
26
0.00000
0.13286
0.04684
27
0.00000
0.01971
-0.04594
28
0.00000
-0.01971
-0.04594
29
0.00000
-0.02307
0.05712
30
0.00000
0.02307
0.05712
31
0.00000
-0.03169
-0.02331
32
0.00000
0.03169
-0.02331