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)
1.23900
Eigenvectors
#
X
Y
Z
1
0.00000
0.07922
-0.02635
2
0.00000
-0.07922
-0.02635
3
0.00000
0.02743
-0.00462
4
0.00000
-0.02743
-0.00462
5
0.00000
0.02259
0.05717
6
0.00000
-0.02259
0.05717
7
0.00000
-0.11186
0.02906
8
0.00000
0.11186
0.02906
9
0.00000
0.00430
-0.02139
10
0.00000
-0.00430
-0.02139
11
0.00000
0.00523
0.03493
12
0.00000
-0.00523
0.03493
13
0.00000
-0.04894
-0.00022
14
0.00000
0.04894
-0.00022
15
0.00000
0.00840
-0.01503
16
0.00000
-0.00840
-0.01503
17
0.00000
0.00887
-0.05850
18
0.00000
-0.00887
-0.05850
19
0.00000
0.04747
0.03495
20
0.00000
-0.04747
0.03495
21
0.00000
0.00846
-0.09533
22
0.00000
-0.00846
-0.09533
23
0.00000
-0.15110
-0.05739
24
0.00000
0.15110
-0.05739
25
0.00000
-0.00111
-0.02678
26
0.00000
0.00111
-0.02678
27
0.00000
0.11115
-0.08407
28
0.00000
-0.11115
-0.08407
29
0.00000
0.00962
-0.09145
30
0.00000
-0.00962
-0.09145
31
0.00000
-0.01822
-0.00237
32
0.00000
0.01822
-0.00237