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)
0.07600
Diff mu Y
(Debye)
-3.04400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00419
-0.02229
0.00000
2
-0.00285
-0.00138
0.00000
3
-0.00010
0.05371
0.00000
4
-0.03839
-0.02964
0.00000
5
-0.05493
-0.03374
0.00000
6
0.04794
-0.02731
0.00000
7
0.03465
-0.02321
0.00000
8
0.01515
0.03518
0.00000
9
0.00430
0.05318
0.00000
10
0.03862
0.10242
0.00000
11
-0.07646
-0.03183
0.00000
12
0.03947
-0.01251
0.00000
13
0.07166
-0.04643
0.00000
14
-0.06566
-0.03509
0.00000
15
-0.00403
0.03443
0.00000
16
-0.01573
-0.04614
0.00000
17
0.04197
-0.00157
0.00000
18
-0.03652
0.04603
0.00000
19
0.02893
0.12862
0.00000
20
-0.06072
-0.22819
0.00000
21
0.00816
0.07146
0.00000
22
-0.06604
-0.29590
0.00000
23
-0.00121
-0.02519
0.00000
24
-0.10475
0.13878
0.00000
25
-0.01944
-0.02592
0.00000
26
0.08971
-0.06541
0.00000
27
0.07427
-0.06143
0.00000
28
0.06164
0.17313
0.00000
29
0.07125
0.00305
0.00000
30
-0.02085
0.02258
0.00000