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)
0.05800
Diff mu Y
(Debye)
1.20200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04494
-0.08201
0.00000
2
-0.05103
0.09084
0.00000
3
-0.03695
0.04278
0.00000
4
0.03228
-0.06683
0.00000
5
-0.02598
0.05741
0.00000
6
0.04374
-0.06560
0.00000
7
0.03924
-0.07293
0.00000
8
-0.00524
0.07604
0.00000
9
0.00634
-0.07807
0.00000
10
-0.04318
0.07853
0.00000
11
0.03405
-0.00005
0.00000
12
-0.00836
0.03091
0.00000
13
0.00996
-0.01749
0.00000
14
-0.04234
0.04078
0.00000
15
-0.02474
-0.00844
0.00000
16
0.03471
-0.01418
0.00000
17
-0.01521
-0.01035
0.00000
18
0.01880
-0.00043
0.00000
19
-0.03764
-0.01585
0.00000
20
0.02316
0.02827
0.00000
21
-0.08640
0.07231
0.00000
22
-0.06664
-0.09445
0.00000
23
0.06645
0.08620
0.00000
24
0.10043
-0.07705
0.00000
25
-0.03516
-0.03526
0.00000
26
0.01944
0.00586
0.00000
27
0.05356
-0.06761
0.00000
28
-0.05458
-0.03519
0.00000
29
0.04567
0.00107
0.00000
30
0.00440
0.01683
0.00000
31
-0.01002
0.01625
0.00000
32
0.00443
-0.04757
0.00000