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)
-0.30400
Diff mu Y
(Debye)
-0.56300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01063
-0.00976
0.00000
2
-0.05318
-0.01475
0.00000
3
0.01205
-0.10318
0.00000
4
-0.01416
0.01405
0.00000
5
0.05287
0.03864
0.00000
6
0.09925
-0.01721
0.00000
7
-0.05328
0.08773
0.00000
8
0.00323
0.03265
0.00000
9
-0.02318
0.03816
0.00000
10
-0.01010
0.02851
0.00000
11
-0.00679
-0.01252
0.00000
12
0.01636
-0.02317
0.00000
13
-0.00441
-0.01631
0.00000
14
-0.03032
-0.01306
0.00000
15
-0.00191
0.01161
0.00000
16
0.02437
-0.00288
0.00000
17
0.00089
0.00896
0.00000
18
0.00620
-0.01330
0.00000
19
0.05893
0.26009
0.00000
20
-0.10233
-0.18819
0.00000
21
-0.13610
-0.39225
0.00000
22
0.04080
0.21420
0.00000
23
-0.01475
-0.02187
0.00000
24
0.04104
-0.06748
0.00000
25
-0.00981
-0.00863
0.00000
26
-0.02014
0.01622
0.00000
27
0.16070
-0.18771
0.00000
28
-0.01393
-0.12345
0.00000
29
-0.01352
0.00610
0.00000
30
-0.07727
0.08598
0.00000