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)
-0.83900
Diff mu Y
(Debye)
1.46600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00575
-0.06067
0.00000
2
-0.02031
0.04751
0.00000
3
-0.01101
0.02634
0.00000
4
0.02529
-0.06611
0.00000
5
-0.02869
0.09261
0.00000
6
0.05940
-0.01781
0.00000
7
-0.04792
0.03370
0.00000
8
0.00476
0.03572
0.00000
9
-0.02566
-0.06539
0.00000
10
-0.03330
-0.05206
0.00000
11
-0.01671
0.00495
0.00000
12
0.00652
-0.00687
0.00000
13
0.02563
-0.00761
0.00000
14
0.01515
0.03440
0.00000
15
0.07428
-0.02927
0.00000
16
-0.04214
-0.05557
0.00000
17
0.00025
0.03972
0.00000
18
0.03294
-0.03763
0.00000
19
0.03337
0.05769
0.00000
20
-0.06819
-0.12859
0.00000
21
0.04457
0.23435
0.00000
22
0.02800
0.18304
0.00000
23
-0.03838
-0.11622
0.00000
24
-0.09803
0.12419
0.00000
25
-0.02099
0.03220
0.00000
26
0.01768
-0.02094
0.00000
27
-0.11372
0.21819
0.00000
28
0.06173
0.25747
0.00000
29
-0.03837
0.04008
0.00000
30
-0.09623
0.11899
0.00000