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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.15200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.06356
2
0.00000
0.00000
-0.04600
3
0.00000
0.00000
-0.05456
4
0.00000
0.00000
0.04204
5
0.00000
0.00000
0.01093
6
0.00000
0.00000
-0.01483
7
0.00000
0.00000
0.04400
8
0.00000
0.00000
-0.01766
9
0.00000
0.00000
-0.07645
10
0.00000
0.00000
0.07540
11
0.00000
0.00000
-0.01120
12
0.00000
0.00000
-0.01314
13
0.00000
0.00000
-0.02583
14
0.00000
0.00000
0.02693
15
0.00000
0.00000
-0.03047
16
0.00000
0.00000
-0.00685
17
0.00000
0.00000
0.00412
18
0.00000
0.00000
0.01529
19
0.00000
0.00000
-0.30506
20
0.00000
0.00000
0.22496
21
0.00000
0.00000
0.44459
22
0.00000
0.00000
-0.42728
23
0.00000
0.00000
0.04701
24
0.00000
0.00000
0.20680
25
0.00000
0.00000
-0.21662
26
0.00000
0.00000
0.13494
27
0.00000
0.00000
0.10853
28
0.00000
0.00000
0.07622
29
0.00000
0.00000
-0.03718
30
0.00000
0.00000
-0.08160