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)
0.04400
Diff mu Y
(Debye)
-0.16700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08440
0.06670
0.00000
2
0.04860
0.07001
0.00000
3
-0.02563
0.03217
0.00000
4
0.01309
0.05091
0.00000
5
-0.04488
0.01627
0.00000
6
0.07037
0.00744
0.00000
7
-0.00977
-0.00076
0.00000
8
0.09440
-0.04420
0.00000
9
-0.07071
-0.01438
0.00000
10
0.07347
-0.06349
0.00000
11
-0.02964
-0.02023
0.00000
12
-0.02649
-0.06760
0.00000
13
-0.02401
-0.02253
0.00000
14
-0.00458
-0.01938
0.00000
15
0.01273
-0.02834
0.00000
16
0.05481
-0.03145
0.00000
17
-0.01934
0.04949
0.00000
18
-0.01894
0.03029
0.00000
19
-0.07972
0.09962
0.00000
20
0.07293
0.15852
0.00000
21
-0.08320
-0.04880
0.00000
22
0.05768
-0.13909
0.00000
23
0.09535
-0.04795
0.00000
24
0.00529
-0.05640
0.00000
25
-0.05967
-0.03606
0.00000
26
-0.06616
-0.02499
0.00000
27
-0.00879
0.00247
0.00000
28
0.04054
-0.07709
0.00000
29
-0.08738
0.03620
0.00000
30
0.00476
0.00358
0.00000