Charge: 2
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+2
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.15900
Diff mu Y
(Debye)
0.07500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02327
-0.00144
0.00000
2
0.06224
0.00076
0.00000
3
-0.00699
-0.01128
0.00000
4
0.05719
-0.03837
0.00000
5
0.02531
0.03705
0.00000
6
0.04774
0.03576
0.00000
7
0.00952
-0.01767
0.00000
8
0.04596
-0.01958
0.00000
9
0.04081
0.04801
0.00000
10
0.05907
0.05614
0.00000
11
-0.09006
-0.02420
0.00000
12
0.00404
-0.05995
0.00000
13
-0.05333
0.02711
0.00000
14
-0.01301
0.02671
0.00000
15
-0.08368
0.03992
0.00000
16
-0.03275
-0.02399
0.00000
17
-0.06927
-0.07294
0.00000
18
-0.00687
-0.06453
0.00000
19
0.01694
0.00977
0.00000
20
-0.03380
0.06193
0.00000
21
0.00823
-0.01554
0.00000
22
0.05711
0.01377
0.00000
23
0.03685
0.03527
0.00000
24
0.06120
0.05408
0.00000
25
-0.01130
-0.10446
0.00000
26
-0.07321
-0.03523
0.00000
27
-0.04712
0.06579
0.00000
28
-0.07553
-0.03232
0.00000
29
0.08265
0.02458
0.00000
30
0.03517
-0.10892
0.00000
31
-0.08193
-0.11748
0.00000
32
-0.02009
0.11108
0.00000