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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.99100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02988
-0.03876
2
0.00000
0.02988
0.03876
3
0.00000
-0.09262
-0.04058
4
0.00000
-0.09263
0.04058
5
0.00000
-0.01709
0.03511
6
0.00000
-0.01709
-0.03511
7
0.00000
0.07311
0.03911
8
0.00000
0.07312
-0.03912
9
0.00000
-0.00603
0.00830
10
0.00000
-0.00603
-0.00830
11
0.00000
0.01538
0.01094
12
0.00000
0.01538
-0.01094
13
0.00000
-0.03277
0.03792
14
0.00000
-0.03277
-0.03792
15
0.00000
0.03171
-0.03245
16
0.00000
0.03171
0.03245
17
0.00000
-0.02445
0.03319
18
0.00000
-0.02445
-0.03320
19
0.00000
0.00199
-0.01848
20
0.00000
0.00199
0.01848
21
0.00000
0.03649
0.11242
22
0.00000
0.03649
-0.11244
23
0.00000
-0.03303
-0.02006
24
0.00000
-0.03302
0.02005
25
0.00000
0.20327
-0.08430
26
0.00000
0.20327
0.08430
27
0.00000
0.18816
-0.10285
28
0.00000
0.18816
0.10285
29
0.00000
-0.02377
0.16765
30
0.00000
-0.02377
-0.16765
31
0.00000
-0.12230
-0.08971
32
0.00000
-0.12231
0.08972