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)
0.67500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01994
0.03570
2
0.00000
0.01997
-0.03557
3
0.00000
-0.02218
0.04015
4
0.00000
-0.02203
-0.04013
5
0.00000
0.04772
0.04580
6
0.00000
0.04774
-0.04565
7
0.00000
-0.07081
0.04091
8
0.00000
-0.07077
-0.04098
9
0.00000
0.04076
0.03113
10
0.00000
0.04074
-0.03094
11
0.00000
-0.03322
0.03388
12
0.00000
-0.03301
-0.03394
13
0.00000
0.06062
0.04260
14
0.00000
0.06063
-0.04262
15
0.00000
0.01133
0.02703
16
0.00000
0.01149
-0.02714
17
0.00000
-0.05458
0.08304
18
0.00000
-0.05457
-0.08313
19
0.00000
-0.00493
0.05002
20
0.00000
-0.00493
-0.05013
21
0.00000
0.01176
-0.02375
22
0.00000
0.01192
0.02354
23
0.00000
-0.03623
0.03244
24
0.00000
-0.03598
-0.03253
25
0.00000
0.07335
0.03541
26
0.00000
0.07322
-0.03551
27
0.00000
0.00847
0.04939
28
0.00000
0.00844
-0.04921
29
0.00000
-0.05492
0.11111
30
0.00000
-0.05491
-0.11121
31
0.00000
0.05754
0.08517
32
0.00000
0.05753
-0.08527