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)
-0.19500
Diff mu Y
(Debye)
-0.07400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06470
0.02828
0.00000
2
0.03418
-0.00871
0.00000
3
0.04629
0.06853
0.00000
4
0.05605
0.10145
0.00000
5
0.01822
-0.05538
0.00000
6
-0.01676
-0.11946
0.00000
7
0.03358
-0.05976
0.00000
8
-0.02991
0.01060
0.00000
9
0.00544
-0.01131
0.00000
10
-0.04421
0.00538
0.00000
11
-0.04379
-0.01205
0.00000
12
-0.00524
-0.01145
0.00000
13
-0.00448
0.02557
0.00000
14
0.01328
0.02451
0.00000
15
0.00295
0.00458
0.00000
16
-0.01682
-0.00139
0.00000
17
0.01547
-0.01011
0.00000
18
-0.01173
0.02452
0.00000
19
-0.10391
-0.10188
0.00000
20
0.05123
0.01103
0.00000
21
0.01797
0.01504
0.00000
22
0.02572
0.27371
0.00000
23
-0.13871
-0.32200
0.00000
24
-0.01935
0.04148
0.00000
25
0.13841
0.05629
0.00000
26
0.13678
-0.16440
0.00000
27
-0.01823
0.02975
0.00000
28
0.02134
0.11498
0.00000
29
0.03162
-0.00740
0.00000
30
0.00240
0.00821
0.00000