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)
-0.79300
Diff mu Y
(Debye)
0.11100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01813
0.03060
0.00000
2
-0.00567
-0.02526
0.00000
3
-0.06148
-0.04939
0.00000
4
0.03686
0.01190
0.00000
5
0.07377
0.01769
0.00000
6
-0.04063
-0.01850
0.00000
7
0.02644
0.00582
0.00000
8
0.01050
0.03327
0.00000
9
-0.04442
0.00142
0.00000
10
-0.02389
0.03483
0.00000
11
0.01555
0.00206
0.00000
12
-0.02795
-0.00381
0.00000
13
0.01354
-0.06557
0.00000
14
0.09635
0.03673
0.00000
15
-0.01883
0.01946
0.00000
16
-0.01023
-0.02671
0.00000
17
0.03443
0.01685
0.00000
18
-0.01285
-0.01172
0.00000
19
0.03150
0.06436
0.00000
20
0.05073
0.19406
0.00000
21
-0.06241
-0.03601
0.00000
22
-0.09997
-0.20953
0.00000
23
-0.05340
-0.18628
0.00000
24
-0.26683
0.21096
0.00000
25
-0.44493
-0.09943
0.00000
26
0.03498
-0.08017
0.00000
27
-0.00042
-0.00590
0.00000
28
0.00339
0.01483
0.00000
29
-0.09164
-0.00920
0.00000
30
-0.04904
0.02701
0.00000