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)
-0.46300
Diff mu Y
(Debye)
-0.40600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03232
-0.01343
0.00000
2
0.02004
-0.00595
0.00000
3
0.05911
0.02377
0.00000
4
-0.05100
-0.00146
0.00000
5
0.04286
-0.05971
0.00000
6
-0.05152
0.07342
0.00000
7
-0.02347
-0.01394
0.00000
8
0.02427
-0.02562
0.00000
9
-0.01726
0.10226
0.00000
10
-0.00501
-0.09359
0.00000
11
0.03604
-0.01237
0.00000
12
-0.04445
0.05035
0.00000
13
0.07105
-0.10405
0.00000
14
-0.02820
0.05574
0.00000
15
-0.00420
0.03005
0.00000
16
0.00182
-0.03724
0.00000
17
-0.02174
0.01221
0.00000
18
0.01464
-0.00639
0.00000
19
-0.01982
0.05263
0.00000
20
0.02309
0.00827
0.00000
21
-0.08467
-0.11915
0.00000
22
0.06713
0.14498
0.00000
23
0.03745
-0.00147
0.00000
24
-0.16862
0.13422
0.00000
25
0.03466
0.08186
0.00000
26
0.07872
-0.07971
0.00000
27
0.04568
-0.02594
0.00000
28
0.04076
0.06850
0.00000
29
0.05407
0.03251
0.00000
30
0.00272
0.01229
0.00000