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)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.42600
Diff mu Y
(Debye)
-0.84500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03243
-0.00415
0.00000
2
-0.03015
-0.08619
0.00000
3
0.10652
0.01155
0.00000
4
-0.08630
0.02736
0.00000
5
-0.02522
0.00334
0.00000
6
0.06834
0.03327
0.00000
7
-0.02822
0.01054
0.00000
8
0.02344
0.02370
0.00000
9
-0.01445
-0.02371
0.00000
10
-0.00984
0.04919
0.00000
11
-0.02852
0.01299
0.00000
12
0.01919
-0.01605
0.00000
13
0.01220
-0.01256
0.00000
14
0.03100
-0.00847
0.00000
15
0.02327
-0.06158
0.00000
16
0.01761
0.08376
0.00000
17
-0.05098
-0.01426
0.00000
18
0.05608
-0.02861
0.00000
19
-0.08865
-0.21765
0.00000
20
0.00780
0.08314
0.00000
21
0.02773
0.15447
0.00000
22
-0.05589
-0.11260
0.00000
23
0.04086
0.07979
0.00000
24
-0.10059
0.10117
0.00000
25
-0.23647
-0.07865
0.00000
26
0.00962
-0.00341
0.00000
27
-0.07859
0.06404
0.00000
28
-0.07262
-0.17066
0.00000
29
-0.01615
-0.00587
0.00000
30
-0.05089
0.10493
0.00000