Charge: 2
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/q+2
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
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)
0.63900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00424
0.02287
2
0.00000
0.00424
0.02287
3
0.00000
-0.02131
0.01954
4
0.00000
0.02131
0.01954
5
0.00000
0.02397
-0.04799
6
0.00000
-0.02397
-0.04799
7
0.00000
-0.01775
-0.00019
8
0.00000
0.01775
-0.00019
9
0.00000
0.08149
0.02145
10
0.00000
-0.08149
0.02145
11
0.00000
0.01206
-0.02559
12
0.00000
-0.01206
-0.02559
13
0.00000
0.01893
-0.00676
14
0.00000
-0.01893
-0.00676
15
0.00000
-0.02202
0.02855
16
0.00000
0.02202
0.02855
17
0.00000
0.00547
-0.00174
18
0.00000
-0.00547
-0.00174
19
0.00000
-0.00343
-0.00193
20
0.00000
0.00343
-0.00193
21
0.00000
-0.02353
0.17690
22
0.00000
0.02353
0.17690
23
0.00000
0.03149
-0.01633
24
0.00000
-0.03149
-0.01633
25
0.00000
0.05750
-0.03068
26
0.00000
-0.05750
-0.03068
27
0.00000
0.49234
-0.20936
28
0.00000
-0.49234
-0.20936
29
0.00000
0.00551
0.00956
30
0.00000
-0.00551
0.00956
31
0.00000
-0.04774
-0.02788
32
0.00000
0.04774
-0.02788