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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
0.93700
Eigenvectors
#
X
Y
Z
1
0.00000
0.01859
-0.02994
2
0.00000
-0.01859
-0.02994
3
0.00000
-0.05027
0.01206
4
0.00000
0.05027
0.01206
5
0.00000
-0.00303
0.03625
6
0.00000
0.00303
0.03625
7
0.00000
0.04407
0.00753
8
0.00000
-0.04407
0.00753
9
0.00000
-0.07452
0.00407
10
0.00000
0.07452
0.00407
11
0.00000
0.03321
-0.01933
12
0.00000
-0.03321
-0.01933
13
0.00000
0.06533
-0.07962
14
0.00000
-0.06533
-0.07962
15
0.00000
-0.03597
0.09143
16
0.00000
0.03597
0.09143
17
0.00000
-0.01566
-0.02427
18
0.00000
0.01566
-0.02427
19
0.00000
0.02200
0.01605
20
0.00000
-0.02200
0.01605
21
0.00000
-0.04063
-0.10271
22
0.00000
0.04063
-0.10271
23
0.00000
-0.08169
-0.08964
24
0.00000
0.08169
-0.08964
25
0.00000
-0.13960
0.03258
26
0.00000
0.13960
0.03258
27
0.00000
0.07179
-0.08278
28
0.00000
-0.07179
-0.08278
29
0.00000
-0.01741
0.07799
30
0.00000
0.01741
0.07799
31
0.00000
-0.01300
-0.00498
32
0.00000
0.01300
-0.00498