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)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.37200
Diff mu Y
(Debye)
0.18600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02094
0.00443
0.00000
2
-0.00230
0.00070
0.00000
3
0.00126
0.00093
0.00000
4
0.00165
0.00191
0.00000
5
0.00015
-0.00041
0.00000
6
0.00017
-0.00031
0.00000
7
0.00023
0.00025
0.00000
8
-0.04990
0.01629
0.00000
9
-0.00182
0.00036
0.00000
10
-0.00044
0.00031
0.00000
11
0.00224
-0.00077
0.00000
12
-0.04130
-0.03892
0.00000
13
0.00177
0.00158
0.00000
14
0.00005
-0.00100
0.00000
15
0.00172
0.00230
0.00000
16
0.01776
-0.00669
0.00000
17
-0.00224
0.01079
0.00000
18
-0.01302
-0.01108
0.00000
19
0.23661
-0.05748
0.00000
20
0.02700
-0.00838
0.00000
21
0.02084
-0.00451
0.00000
22
0.00530
-0.00153
0.00000
23
0.56070
-0.16685
0.00000
24
-0.01920
-0.01860
0.00000
25
-0.00272
0.01082
0.00000
26
0.47019
0.42391
0.00000
27
-0.02175
-0.01728
0.00000
28
-0.20225
0.07047
0.00000
29
0.02701
-0.12709
0.00000
30
0.14823
0.12666
0.00000