Charge: 2
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q+2
Electronic States
Energy
(eV)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.49900
Diff mu Y
(Debye)
1.91300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03496
0.03661
0.00000
2
-0.02071
0.00932
0.00000
3
-0.02963
-0.05869
0.00000
4
0.03193
0.03139
0.00000
5
-0.06833
0.01122
0.00000
6
0.07107
0.00911
0.00000
7
0.02695
0.07369
0.00000
8
-0.02115
-0.07771
0.00000
9
0.00016
-0.00930
0.00000
10
-0.03940
-0.06850
0.00000
11
-0.05299
-0.04545
0.00000
12
0.01756
0.04898
0.00000
13
0.02664
-0.02564
0.00000
14
0.00357
0.04277
0.00000
15
0.03299
-0.06382
0.00000
16
-0.02227
0.02194
0.00000
17
0.00253
0.00236
0.00000
18
0.02283
-0.00236
0.00000
19
-0.03558
-0.24879
0.00000
20
-0.03668
-0.04500
0.00000
21
0.03625
0.12165
0.00000
22
0.05349
0.26396
0.00000
23
0.06110
0.18085
0.00000
24
-0.09443
0.09984
0.00000
25
0.03782
0.05987
0.00000
26
0.08054
-0.00886
0.00000
27
-0.20893
0.22397
0.00000
28
-0.02457
0.02770
0.00000
29
-0.01480
-0.00059
0.00000
30
-0.05322
0.08843
0.00000