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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-1.12000
Diff mu Y
(Debye)
-1.63300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05189
-0.01908
0.00000
2
-0.02943
0.01348
0.00000
3
0.06904
0.03148
0.00000
4
0.01524
-0.01897
0.00000
5
0.02511
-0.02279
0.00000
6
0.02734
0.03130
0.00000
7
0.11206
0.02972
0.00000
8
-0.03099
-0.01509
0.00000
9
-0.01989
-0.00905
0.00000
10
-0.01049
0.00580
0.00000
11
0.06858
-0.05154
0.00000
12
-0.03568
0.00558
0.00000
13
0.00540
0.01391
0.00000
14
0.00920
-0.01740
0.00000
15
-0.08014
0.03741
0.00000
16
0.00264
-0.04501
0.00000
17
0.01359
0.02700
0.00000
18
-0.00888
-0.00712
0.00000
19
-0.07603
-0.10403
0.00000
20
-0.05123
-0.05691
0.00000
21
0.00213
0.06259
0.00000
22
-0.02221
-0.03691
0.00000
23
-0.06399
-0.12301
0.00000
24
0.03667
-0.01600
0.00000
25
-0.04552
-0.03142
0.00000
26
-0.30362
0.29167
0.00000
27
-0.27363
0.26962
0.00000
28
-0.02717
-0.13012
0.00000
29
-0.13072
-0.00126
0.00000
30
-0.00676
-0.00059
0.00000