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)
0.73800
Diff mu Y
(Debye)
0.10900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03406
-0.00637
0.00000
2
0.03829
-0.03666
0.00000
3
-0.04674
-0.02165
0.00000
4
-0.03344
0.06430
0.00000
5
-0.03290
0.03234
0.00000
6
-0.01850
-0.05863
0.00000
7
-0.05438
-0.04967
0.00000
8
0.04919
0.00059
0.00000
9
0.02187
0.01429
0.00000
10
-0.00032
-0.00101
0.00000
11
-0.06601
0.11357
0.00000
12
0.00835
0.00258
0.00000
13
-0.00368
-0.01700
0.00000
14
-0.00960
0.02037
0.00000
15
0.05688
-0.02530
0.00000
16
-0.00658
0.03158
0.00000
17
-0.01373
-0.02789
0.00000
18
-0.00190
-0.01977
0.00000
19
0.07041
0.12644
0.00000
20
0.08497
0.11699
0.00000
21
0.01116
-0.03335
0.00000
22
0.03898
0.14958
0.00000
23
0.04710
-0.02334
0.00000
24
-0.00123
-0.02045
0.00000
25
0.02077
0.03080
0.00000
26
0.32178
-0.33742
0.00000
27
0.10735
-0.08645
0.00000
28
0.01837
0.10528
0.00000
29
0.07718
-0.01181
0.00000
30
0.14557
-0.20259
0.00000