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)
0.59200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05160
-0.01698
2
0.00000
0.05159
0.01698
3
0.00000
-0.05010
0.06381
4
0.00000
-0.05010
-0.06381
5
0.00000
-0.05220
-0.07214
6
0.00000
-0.05219
0.07214
7
0.00000
0.00116
0.01267
8
0.00000
0.00116
-0.01267
9
0.00000
-0.00321
0.04640
10
0.00000
-0.00321
-0.04640
11
0.00000
-0.01050
-0.03303
12
0.00000
-0.01050
0.03303
13
0.00000
0.01049
0.02554
14
0.00000
0.01049
-0.02554
15
0.00000
0.01646
0.00099
16
0.00000
0.01646
-0.00099
17
0.00000
0.02064
-0.04307
18
0.00000
0.02064
0.04307
19
0.00000
-0.03884
-0.02519
20
0.00000
-0.03884
0.02519
21
0.00000
0.02138
0.03880
22
0.00000
0.02138
-0.03880
23
0.00000
0.17802
0.08348
24
0.00000
0.17801
-0.08347
25
0.00000
0.14352
-0.04507
26
0.00000
0.14352
0.04507
27
0.00000
0.03890
0.02064
28
0.00000
0.03890
-0.02064
29
0.00000
0.02580
0.19574
30
0.00000
0.02580
-0.19575
31
0.00000
0.24143
0.13702
32
0.00000
0.24143
-0.13702