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)
-0.19900
Diff mu Y
(Debye)
1.14200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00812
0.00086
0.00000
2
-0.00813
0.00086
0.00000
3
0.00535
0.01352
0.00000
4
0.00346
-0.00699
0.00000
5
0.00974
-0.02270
0.00000
6
-0.02687
0.00157
0.00000
7
0.00745
-0.01748
0.00000
8
-0.02794
0.02991
0.00000
9
0.03620
0.00324
0.00000
10
-0.00521
-0.00652
0.00000
11
-0.00521
-0.00652
0.00000
12
0.03620
0.00324
0.00000
13
-0.02794
0.02991
0.00000
14
0.00745
-0.01748
0.00000
15
-0.02687
0.00157
0.00000
16
0.00974
-0.02270
0.00000
17
0.00346
-0.00699
0.00000
18
0.00535
0.01351
0.00000
19
0.00588
-0.00411
0.00000
20
-0.06477
-0.16648
0.00000
21
0.42131
0.06274
0.00000
22
-0.27487
0.34134
0.00000
23
-0.04124
-0.16575
0.00000
24
0.02439
-0.01308
0.00000
25
0.02438
-0.01308
0.00000
26
-0.04124
-0.16573
0.00000
27
-0.27486
0.34132
0.00000
28
0.42130
0.06274
0.00000
29
-0.06477
-0.16647
0.00000
30
0.00589
-0.00410
0.00000