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)
-0.17200
Diff mu Y
(Debye)
-0.07400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03096
-0.02038
0.00000
2
0.04932
0.00065
0.00000
3
-0.02317
0.02305
0.00000
4
0.02354
0.01766
0.00000
5
-0.05078
-0.02864
0.00000
6
-0.05119
0.04183
0.00000
7
-0.05436
0.03052
0.00000
8
-0.02990
0.00383
0.00000
9
0.06117
-0.03998
0.00000
10
0.07683
0.00223
0.00000
11
-0.01115
-0.02571
0.00000
12
0.02208
-0.00224
0.00000
13
-0.01928
0.02162
0.00000
14
-0.03536
-0.00757
0.00000
15
0.02681
0.04530
0.00000
16
0.00505
-0.02888
0.00000
17
-0.02935
0.00598
0.00000
18
0.04785
-0.00250
0.00000
19
0.04027
0.02214
0.00000
20
0.00758
-0.16520
0.00000
21
0.02817
-0.17622
0.00000
22
0.13453
0.19096
0.00000
23
-0.04731
-0.04641
0.00000
24
-0.19820
0.20478
0.00000
25
-0.35671
-0.08879
0.00000
26
0.05453
-0.03688
0.00000
27
0.00814
0.07271
0.00000
28
-0.06056
-0.23561
0.00000
29
-0.24818
-0.03751
0.00000
30
0.17236
-0.14193
0.00000