Charge: 0
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.22000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00311
0.04269
2
0.00000
0.00311
0.04269
3
0.00000
-0.00297
0.01273
4
0.00000
0.00297
0.01273
5
0.00000
0.00023
-0.04721
6
0.00000
-0.00023
-0.04721
7
0.00000
-0.01492
-0.01768
8
0.00000
0.01492
-0.01767
9
0.00000
0.05446
0.01621
10
0.00000
-0.05447
0.01621
11
0.00000
0.00103
-0.02576
12
0.00000
-0.00103
-0.02576
13
0.00000
0.03200
-0.01049
14
0.00000
-0.03200
-0.01048
15
0.00000
-0.01924
0.03313
16
0.00000
0.01924
0.03312
17
0.00000
-0.00140
0.00274
18
0.00000
0.00139
0.00274
19
0.00000
-0.00227
0.00086
20
0.00000
0.00227
0.00086
21
0.00000
-0.02029
0.17586
22
0.00000
0.02029
0.17585
23
0.00000
0.03035
-0.00785
24
0.00000
-0.03036
-0.00784
25
0.00000
0.09418
-0.04563
26
0.00000
-0.09417
-0.04563
27
0.00000
0.50409
-0.24506
28
0.00000
-0.50409
-0.24505
29
0.00000
-0.00201
0.05410
30
0.00000
0.00201
0.05411
31
0.00000
-0.03422
-0.01748
32
0.00000
0.03423
-0.01749