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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.23100
Diff mu Y
(Debye)
-0.92800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04605
-0.04562
0.00000
2
0.06128
-0.03737
0.00000
3
-0.05847
-0.00313
0.00000
4
-0.07898
0.08168
0.00000
5
-0.03852
0.05341
0.00000
6
-0.04235
-0.02033
0.00000
7
0.08901
-0.04296
0.00000
8
0.04878
0.00333
0.00000
9
0.02791
0.01414
0.00000
10
0.01144
-0.02183
0.00000
11
0.03638
0.07700
0.00000
12
-0.04386
-0.02396
0.00000
13
-0.01203
-0.01382
0.00000
14
-0.00020
0.01822
0.00000
15
-0.01218
-0.03257
0.00000
16
-0.02050
0.00382
0.00000
17
-0.01891
-0.00677
0.00000
18
-0.01248
-0.01353
0.00000
19
0.08693
0.09633
0.00000
20
0.04496
-0.11804
0.00000
21
0.02062
-0.00592
0.00000
22
0.01839
0.00594
0.00000
23
0.04791
0.00889
0.00000
24
0.02548
-0.05603
0.00000
25
0.03369
0.02668
0.00000
26
-0.05505
-0.01240
0.00000
27
-0.27280
0.27275
0.00000
28
0.01660
0.11771
0.00000
29
0.07545
0.01195
0.00000
30
0.16765
-0.22494
0.00000