Charge: 2
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+2
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
-0.01598
2
0.00000
0.00000
0.01596
3
0.00000
0.00000
0.02393
4
0.00000
0.00000
0.01013
5
0.00000
0.00000
-0.03567
6
0.00000
0.00000
0.03883
7
0.00000
0.00000
-0.07548
8
0.00000
0.00000
-0.01182
9
0.00000
0.00000
0.01419
10
0.00000
0.00000
0.06317
11
0.00000
0.00000
-0.06314
12
0.00000
0.00000
-0.01419
13
0.00000
0.00000
0.01182
14
0.00000
0.00000
0.07545
15
0.00000
0.00000
-0.03881
16
0.00000
0.00000
0.03565
17
0.00000
0.00000
-0.01012
18
0.00000
0.00000
-0.02391
19
0.00000
0.00000
-0.04913
20
0.00000
0.00000
-0.29388
21
0.00000
0.00000
-0.18041
22
0.00000
0.00000
0.15976
23
0.00000
0.00000
0.38163
24
0.00000
0.00000
0.20047
25
0.00000
0.00000
-0.20058
26
0.00000
0.00000
-0.38150
27
0.00000
0.00000
-0.15972
28
0.00000
0.00000
0.18033
29
0.00000
0.00000
0.29380
30
0.00000
0.00000
0.04908