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)
-0.24600
Diff mu Y
(Debye)
-1.12200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01130
-0.08586
0.00000
2
-0.01519
0.01914
0.00000
3
-0.04453
0.06707
0.00000
4
0.05478
-0.04609
0.00000
5
0.02477
0.06976
0.00000
6
0.00123
0.01421
0.00000
7
0.06558
-0.01574
0.00000
8
-0.01703
0.03181
0.00000
9
-0.03761
-0.03586
0.00000
10
-0.00464
-0.05464
0.00000
11
-0.04453
-0.01273
0.00000
12
0.02808
-0.02891
0.00000
13
0.05495
-0.02346
0.00000
14
-0.03658
0.02797
0.00000
15
-0.03976
-0.02746
0.00000
16
0.04656
0.09346
0.00000
17
-0.05181
-0.03955
0.00000
18
0.01745
0.01707
0.00000
19
0.07997
0.24846
0.00000
20
-0.01935
0.01314
0.00000
21
0.00634
0.14160
0.00000
22
0.04989
0.12323
0.00000
23
-0.05363
-0.07351
0.00000
24
-0.09980
0.13869
0.00000
25
0.11839
0.07060
0.00000
26
-0.03385
0.03520
0.00000
27
0.03046
-0.12204
0.00000
28
-0.05252
-0.18988
0.00000
29
0.04489
-0.02265
0.00000
30
0.04324
-0.00799
0.00000