Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Electronic States
Energy
(eV)
-539.72189
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.19900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01397
0.00000
0.00000
2
0.00474
-0.08876
0.00000
3
0.00474
0.08876
0.00000
4
0.00474
0.08877
0.00000
5
0.00474
-0.08877
0.00000
6
0.01397
0.00000
0.00000
7
-0.03437
0.02366
0.00000
8
0.04501
0.04998
0.00000
9
0.04501
-0.04998
0.00000
10
-0.03437
-0.02366
0.00000
11
-0.03437
-0.02365
0.00000
12
0.04501
-0.04998
0.00000
13
0.04501
0.04998
0.00000
14
-0.03437
0.02366
0.00000
15
0.02011
0.00000
0.00000
16
-0.04287
0.10655
0.00000
17
-0.23348
0.10153
0.00000
18
-0.23349
-0.10154
0.00000
19
-0.04287
-0.10657
0.00000
20
-0.04287
-0.10656
0.00000
21
-0.23350
-0.10154
0.00000
22
-0.23351
0.10154
0.00000
23
-0.04287
0.10658
0.00000
24
0.02012
0.00000
0.00000