Charge: 2
Inchi:1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/q+2
Electronic States
Energy
(eV)
-691.62195
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.04269 b
(cm-1)
0.00858 c
(cm-1)
0.00715
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04969
0.07439
0.00000
2
-0.04969
-0.07438
0.00000
3
0.03645
-0.03502
0.00000
4
-0.04253
0.03481
0.00000
5
0.04613
0.00922
0.00000
6
0.08937
-0.02338
0.00000
7
-0.04800
-0.01863
0.00000
8
-0.00079
0.01702
0.00000
9
-0.00670
-0.01674
0.00000
10
-0.00584
0.02075
0.00000
11
0.00584
-0.02075
0.00000
12
0.00670
0.01674
0.00000
13
0.00080
-0.01702
0.00000
14
0.04801
0.01863
0.00000
15
-0.08938
0.02337
0.00000
16
-0.04613
-0.00921
0.00000
17
0.04253
-0.03481
0.00000
18
-0.03645
0.03502
0.00000
19
-0.12892
-0.16502
0.00000
20
0.00809
0.05858
0.00000
21
-0.00909
-0.01879
0.00000
22
-0.04755
0.07621
0.00000
23
-0.14355
-0.29167
0.00000
24
-0.01912
0.01199
0.00000
25
0.01915
-0.01204
0.00000
26
0.14357
0.29172
0.00000
27
0.04756
-0.07621
0.00000
28
0.00907
0.01878
0.00000
29
-0.00811
-0.05862
0.00000
30
0.12893
0.16503
0.00000