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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.14900
Diff mu Y
(Debye)
0.17000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02090
-0.05798
0.00000
2
-0.01093
-0.05760
0.00000
3
-0.01671
0.03926
0.00000
4
0.02420
0.02200
0.00000
5
0.04746
0.01744
0.00000
6
-0.02986
0.03906
0.00000
7
0.07423
0.00651
0.00000
8
-0.01738
0.03553
0.00000
9
-0.02897
0.02348
0.00000
10
0.03811
0.00679
0.00000
11
-0.04146
-0.05059
0.00000
12
0.02458
-0.03519
0.00000
13
0.04989
-0.04081
0.00000
14
-0.06575
-0.01079
0.00000
15
-0.04400
-0.03330
0.00000
16
0.05974
0.10924
0.00000
17
-0.07587
-0.05726
0.00000
18
0.01320
0.04539
0.00000
19
0.04407
0.19012
0.00000
20
0.04329
0.14167
0.00000
21
-0.03861
-0.00039
0.00000
22
0.03356
-0.02203
0.00000
23
-0.03961
-0.02369
0.00000
24
-0.04884
0.05649
0.00000
25
0.07638
0.02258
0.00000
26
-0.02039
0.00447
0.00000
27
0.02168
-0.11765
0.00000
28
-0.04241
-0.20931
0.00000
29
0.12843
-0.02132
0.00000
30
0.08575
-0.03494
0.00000