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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.12000
Diff mu Y
(Debye)
-0.08700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02773
-0.01137
0.00000
2
0.00786
0.02201
0.00000
3
0.02896
-0.03800
0.00000
4
0.04063
0.03153
0.00000
5
-0.03843
-0.05159
0.00000
6
-0.01153
0.02443
0.00000
7
-0.04206
0.07342
0.00000
8
-0.00839
-0.01956
0.00000
9
0.01538
0.02652
0.00000
10
-0.00278
-0.01924
0.00000
11
-0.08617
0.06980
0.00000
12
0.02527
0.01283
0.00000
13
0.01470
-0.00335
0.00000
14
0.01385
-0.00018
0.00000
15
0.02447
0.00438
0.00000
16
0.00710
-0.01236
0.00000
17
0.01193
-0.01849
0.00000
18
-0.01131
-0.02433
0.00000
19
0.01357
0.16306
0.00000
20
-0.05304
-0.20828
0.00000
21
0.09625
0.30594
0.00000
22
-0.08089
-0.30441
0.00000
23
-0.11960
-0.37628
0.00000
24
0.04014
-0.02763
0.00000
25
0.16768
0.03736
0.00000
26
0.07786
-0.03606
0.00000
27
0.07382
-0.04624
0.00000
28
-0.03398
-0.14585
0.00000
29
0.17127
0.01083
0.00000
30
0.10244
-0.16383
0.00000