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)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.17800
Diff mu Y
(Debye)
-0.88600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01580
0.00352
0.00000
2
-0.00836
0.00187
0.00000
3
0.00026
0.00046
0.00000
4
-0.00008
0.00045
0.00000
5
-0.00022
0.00044
0.00000
6
-0.00013
0.00023
0.00000
7
-0.00087
0.00091
0.00000
8
-0.01640
0.00598
0.00000
9
-0.03078
0.01046
0.00000
10
0.01080
-0.00205
0.00000
11
-0.00004
-0.00027
0.00000
12
-0.01043
-0.00994
0.00000
13
-0.03747
-0.03551
0.00000
14
0.00990
-0.03676
0.00000
15
0.01867
0.01753
0.00000
16
0.01339
-0.00499
0.00000
17
0.00044
-0.00385
0.00000
18
-0.00419
-0.00258
0.00000
19
0.18098
-0.04779
0.00000
20
0.10759
-0.03030
0.00000
21
0.35548
-0.10356
0.00000
22
-0.10991
0.02998
0.00000
23
0.19877
-0.06370
0.00000
24
0.42391
0.40569
0.00000
25
-0.10461
0.41310
0.00000
26
0.12540
0.11553
0.00000
27
-0.21917
-0.19233
0.00000
28
-0.14405
0.04745
0.00000
29
-0.00692
0.03406
0.00000
30
0.04176
0.03613
0.00000