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)
-0.28000
Diff mu Y
(Debye)
-0.14700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00343
0.07318
0.00000
2
-0.02639
0.04848
0.00000
3
-0.01982
0.06655
0.00000
4
0.06788
-0.09073
0.00000
5
0.01410
-0.07441
0.00000
6
-0.00806
0.02882
0.00000
7
-0.02520
-0.06685
0.00000
8
-0.02259
-0.03498
0.00000
9
-0.02624
-0.00838
0.00000
10
0.02160
0.04858
0.00000
11
0.02346
0.04609
0.00000
12
0.00655
0.02432
0.00000
13
0.03692
-0.01259
0.00000
14
-0.00575
-0.02368
0.00000
15
0.03469
-0.05066
0.00000
16
-0.00353
0.05103
0.00000
17
-0.04989
-0.00931
0.00000
18
0.03818
-0.02343
0.00000
19
-0.08992
-0.24015
0.00000
20
-0.02916
0.06475
0.00000
21
0.00518
0.10552
0.00000
22
-0.05989
-0.25224
0.00000
23
-0.01666
-0.02798
0.00000
24
-0.13834
0.16227
0.00000
25
-0.10181
-0.04909
0.00000
26
-0.13066
0.17214
0.00000
27
-0.10996
0.11379
0.00000
28
-0.01329
0.02959
0.00000
29
0.04224
0.01154
0.00000
30
0.01747
0.00469
0.00000