Charge: -1
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-1
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)
0.90700
Diff mu Y
(Debye)
-0.15700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01519
-0.01213
0.00000
2
-0.00511
-0.03517
0.00000
3
-0.00871
-0.02674
0.00000
4
0.05604
0.08221
0.00000
5
0.08814
0.06436
0.00000
6
-0.04119
-0.01567
0.00000
7
-0.00716
0.02477
0.00000
8
-0.05495
-0.07750
0.00000
9
-0.06572
-0.07755
0.00000
10
0.04419
0.04335
0.00000
11
-0.03380
0.00743
0.00000
12
0.04471
-0.00260
0.00000
13
0.06960
0.00084
0.00000
14
-0.09564
-0.02535
0.00000
15
0.02116
-0.02704
0.00000
16
-0.01081
0.01585
0.00000
17
0.02918
-0.00544
0.00000
18
-0.01453
0.00451
0.00000
19
0.00648
0.07214
0.00000
20
0.03222
0.10161
0.00000
21
-0.00857
0.18287
0.00000
22
0.01702
-0.07319
0.00000
23
0.01360
0.18171
0.00000
24
-0.03204
0.11900
0.00000
25
0.14732
0.03732
0.00000
26
-0.05434
0.11630
0.00000
27
-0.04109
0.05149
0.00000
28
-0.02584
-0.01853
0.00000
29
-0.05059
-0.02482
0.00000
30
-0.00657
-0.00909
0.00000