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)
-0.18100
Diff mu Y
(Debye)
0.65300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04153
0.00626
0.00000
2
0.02602
-0.02701
0.00000
3
-0.05684
0.03993
0.00000
4
-0.00903
0.04585
0.00000
5
0.00206
0.04843
0.00000
6
-0.01751
-0.00487
0.00000
7
-0.03660
-0.07848
0.00000
8
-0.00039
0.01432
0.00000
9
-0.00385
-0.00586
0.00000
10
0.01061
-0.00909
0.00000
11
0.03587
-0.02310
0.00000
12
-0.01762
-0.02506
0.00000
13
-0.01057
-0.00976
0.00000
14
0.00000
0.00843
0.00000
15
0.02860
-0.02282
0.00000
16
-0.01113
0.01031
0.00000
17
0.03549
-0.00672
0.00000
18
-0.01994
0.03497
0.00000
19
0.01677
-0.11041
0.00000
20
0.00193
-0.13838
0.00000
21
-0.03365
-0.11651
0.00000
22
0.01471
0.00205
0.00000
23
0.01227
0.06492
0.00000
24
0.00171
-0.02439
0.00000
25
-0.00800
0.00647
0.00000
26
-0.03863
-0.00897
0.00000
27
0.00791
0.00177
0.00000
28
-0.07017
-0.15458
0.00000
29
0.49285
0.08910
0.00000
30
-0.35826
0.43994
0.00000