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)
-0.45100
Diff mu Y
(Debye)
-0.30300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05975
0.06166
0.00000
2
-0.02349
0.00741
0.00000
3
0.03595
0.06664
0.00000
4
0.04842
0.04187
0.00000
5
0.09931
-0.04836
0.00000
6
0.05046
-0.01748
0.00000
7
0.03014
-0.08029
0.00000
8
-0.02169
-0.00781
0.00000
9
-0.04747
-0.03525
0.00000
10
-0.03021
0.01927
0.00000
11
-0.03485
0.01751
0.00000
12
-0.00660
0.01241
0.00000
13
-0.01005
0.03558
0.00000
14
0.00750
-0.01625
0.00000
15
0.00658
-0.00269
0.00000
16
-0.01959
0.00939
0.00000
17
0.00416
-0.01667
0.00000
18
-0.00591
0.01397
0.00000
19
-0.12883
-0.19416
0.00000
20
-0.09970
-0.29595
0.00000
21
-0.08580
-0.17463
0.00000
22
0.02302
0.22482
0.00000
23
-0.09894
-0.25801
0.00000
24
-0.00256
0.02924
0.00000
25
-0.03072
-0.02705
0.00000
26
0.13758
-0.14789
0.00000
27
-0.07597
0.09940
0.00000
28
0.01174
0.10625
0.00000
29
0.01318
-0.01624
0.00000
30
0.06381
-0.07118
0.00000