Charge: -1
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-1
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)
-0.27700
Diff mu Y
(Debye)
-0.65200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03272
-0.01391
0.00000
2
-0.00049
-0.02597
0.00000
3
-0.06629
-0.00403
0.00000
4
-0.07834
0.02308
0.00000
5
0.01854
0.01867
0.00000
6
0.03792
0.02305
0.00000
7
0.08687
-0.04146
0.00000
8
0.03697
-0.01200
0.00000
9
-0.01268
0.00709
0.00000
10
0.00606
0.01797
0.00000
11
0.07228
0.05520
0.00000
12
-0.04058
-0.01417
0.00000
13
0.00045
-0.00783
0.00000
14
-0.00787
-0.01208
0.00000
15
-0.01630
-0.04032
0.00000
16
-0.02112
0.00916
0.00000
17
-0.02561
0.00655
0.00000
18
0.00569
-0.02276
0.00000
19
0.09824
0.23533
0.00000
20
-0.06108
-0.26123
0.00000
21
-0.04811
-0.12701
0.00000
22
-0.00192
-0.01928
0.00000
23
0.10535
0.21192
0.00000
24
0.00154
-0.01099
0.00000
25
-0.05010
-0.02468
0.00000
26
-0.17844
0.13501
0.00000
27
-0.29972
0.30486
0.00000
28
0.00988
0.11212
0.00000
29
-0.03461
0.00709
0.00000
30
0.12326
-0.16125
0.00000