Charge: 1
Inchi:1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/q+1
Electronic States
Energy
(eV)
-691.62195
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.04269 b
(cm-1)
0.00858 c
(cm-1)
0.00715
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01507
2
0.00000
0.00000
0.01506
3
0.00000
0.00000
-0.04176
4
0.00000
0.00000
0.04239
5
0.00000
0.00000
-0.00039
6
0.00000
0.00000
0.01847
7
0.00000
0.00000
-0.05751
8
0.00000
0.00000
0.04799
9
0.00000
0.00000
0.03668
10
0.00000
0.00000
-0.05595
11
0.00000
0.00000
0.05597
12
0.00000
0.00000
-0.03669
13
0.00000
0.00000
-0.04800
14
0.00000
0.00000
0.05753
15
0.00000
0.00000
-0.01847
16
0.00000
0.00000
0.00039
17
0.00000
0.00000
-0.04240
18
0.00000
0.00000
0.04177
19
0.00000
0.00000
-0.19930
20
0.00000
0.00000
0.29935
21
0.00000
0.00000
-0.22213
22
0.00000
0.00000
-0.23688
23
0.00000
0.00000
0.25189
24
0.00000
0.00000
-0.16955
25
0.00000
0.00000
0.16949
26
0.00000
0.00000
-0.25196
27
0.00000
0.00000
0.23693
28
0.00000
0.00000
0.22220
29
0.00000
0.00000
-0.29943
30
0.00000
0.00000
0.19935