Charge: -1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q-1
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.21400
Diff mu Y
(Debye)
1.06200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03847
0.00814
0.00000
2
0.06009
0.01359
0.00000
3
-0.02871
0.02532
0.00000
4
-0.01703
0.03205
0.00000
5
-0.02697
-0.07323
0.00000
6
0.01354
-0.04134
0.00000
7
-0.00815
0.02247
0.00000
8
0.00555
-0.02328
0.00000
9
0.01072
0.00550
0.00000
10
-0.00161
0.00858
0.00000
11
-0.00930
-0.01971
0.00000
12
0.01102
0.00051
0.00000
13
-0.01330
0.01156
0.00000
14
0.01019
0.00050
0.00000
15
0.02113
-0.06537
0.00000
16
-0.02385
0.00033
0.00000
17
0.00501
-0.02054
0.00000
18
-0.00558
0.02167
0.00000
19
-0.00495
-0.00539
0.00000
20
-0.01131
0.03536
0.00000
21
-0.06385
0.09060
0.00000
22
-0.07714
-0.27653
0.00000
23
0.06714
0.16372
0.00000
24
-0.10714
0.13000
0.00000
25
0.07278
0.17456
0.00000
26
0.11122
0.41495
0.00000
27
0.14299
-0.14963
0.00000
28
-0.37376
-0.06991
0.00000
29
0.06347
0.01153
0.00000
30
-0.14690
0.17348
0.00000
31
-0.01965
-0.12396
0.00000
32
0.03370
0.21444
0.00000