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)
-0.13500
Diff mu Y
(Debye)
0.07500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05351
0.04016
0.00000
2
0.01400
0.00770
0.00000
3
0.01312
0.06246
0.00000
4
0.09827
0.08343
0.00000
5
0.00584
-0.06831
0.00000
6
0.01001
-0.13333
0.00000
7
0.01591
-0.04515
0.00000
8
-0.04542
-0.00073
0.00000
9
0.00501
0.00696
0.00000
10
-0.02857
0.02314
0.00000
11
-0.01863
-0.04113
0.00000
12
-0.00618
0.00065
0.00000
13
0.01244
0.00728
0.00000
14
-0.02100
0.01643
0.00000
15
0.00359
0.00664
0.00000
16
-0.01399
-0.00523
0.00000
17
0.01712
0.00024
0.00000
18
-0.00629
0.02723
0.00000
19
-0.08760
-0.06385
0.00000
20
0.02619
0.01066
0.00000
21
-0.00309
-0.02984
0.00000
22
0.05169
0.33404
0.00000
23
-0.14319
-0.29613
0.00000
24
-0.05960
0.08319
0.00000
25
0.13252
0.05845
0.00000
26
0.07497
-0.08997
0.00000
27
0.03447
-0.02889
0.00000
28
0.01835
0.09529
0.00000
29
-0.02090
-0.00684
0.00000
30
-0.04452
0.07157
0.00000