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)
0.10900
Diff mu Y
(Debye)
-0.06100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03766
0.00845
0.00000
2
0.00071
-0.00005
0.00000
3
0.00134
0.00119
0.00000
4
0.00070
0.00030
0.00000
5
0.00051
-0.00022
0.00000
6
0.00040
-0.00016
0.00000
7
-0.00144
0.00000
0.00000
8
-0.01024
0.00293
0.00000
9
-0.02399
0.00547
0.00000
10
0.00484
-0.00121
0.00000
11
0.00028
-0.00112
0.00000
12
-0.00164
-0.00169
0.00000
13
0.00849
0.00727
0.00000
14
-0.00023
-0.00124
0.00000
15
0.02716
0.01919
0.00000
16
-0.04252
0.01433
0.00000
17
0.00399
-0.01785
0.00000
18
0.02539
0.02155
0.00000
19
0.42652
-0.10410
0.00000
20
-0.00714
0.00122
0.00000
21
0.27236
-0.06675
0.00000
22
-0.05490
0.01513
0.00000
23
0.11431
-0.03357
0.00000
24
-0.09313
-0.08945
0.00000
25
-0.00253
0.01194
0.00000
26
0.01755
0.01752
0.00000
27
-0.30123
-0.23601
0.00000
28
0.48682
-0.16778
0.00000
29
-0.04608
0.21533
0.00000
30
-0.28965
-0.24365
0.00000