Benzo[a]coronene (C28H14)

General Molecule Info

Charge: 2

Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2

Electronic States

Energy
(eV)
-1073.52965

Description
S0

Multiplicity
1

Is Minimum
yes

Symmetry
-

Theory Level
DFT - B3LYP

Element
and
Basis Sets
4-31g

Symmetry Group
C2v

Symmetry Elements
E C2(z) sigmav(xz) sigmav(yz)

Rotational Constants
a
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373

Dipole Moments

 mu_x
(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analisis Harmonic

Frequency
(cm-1)
35.46700

IR Intesity
(km/mol)
0.07600

Eigenvectors

Diff mu X
(Debye)
0.04200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
66.22500

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
99.39700

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
108.72500

IR Intesity
(km/mol)
8.49700

Eigenvectors

Diff mu X
(Debye)
0.44800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
126.88900

IR Intesity
(km/mol)
6.00200

Eigenvectors

Diff mu X
(Debye)
-0.37700

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
192.32200

IR Intesity
(km/mol)
0.02300

Eigenvectors

Diff mu X
(Debye)
-0.02400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
206.21900

IR Intesity
(km/mol)
2.79100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.25700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
228.69300

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
272.14300

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
281.07000

IR Intesity
(km/mol)
0.26300

Eigenvectors

Diff mu X
(Debye)
-0.07900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
298.31100

IR Intesity
(km/mol)
16.73200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.62900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
311.31600

IR Intesity
(km/mol)
1.25300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.17200

Frequency
(cm-1)
322.74000

IR Intesity
(km/mol)
0.57300

Eigenvectors

Diff mu X
(Debye)
0.11600

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
345.53400

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
397.29700

IR Intesity
(km/mol)
1.45200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.18500

Frequency
(cm-1)
411.05200

IR Intesity
(km/mol)
2.57400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.24700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
415.78400

IR Intesity
(km/mol)
2.73800

Eigenvectors

Diff mu X
(Debye)
0.25500

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
435.15200

IR Intesity
(km/mol)
3.69600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.29600

Frequency
(cm-1)
462.75700

IR Intesity
(km/mol)
3.39100

Eigenvectors

Diff mu X
(Debye)
0.28300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
463.19200

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
481.80500

IR Intesity
(km/mol)
0.16400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.06200

Frequency
(cm-1)
484.17200

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
510.72900

IR Intesity
(km/mol)
1.01800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.15500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
515.04500

IR Intesity
(km/mol)
2.00400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.21800

Frequency
(cm-1)
521.38900

IR Intesity
(km/mol)
9.06700

Eigenvectors

Diff mu X
(Debye)
0.46300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
557.24500

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
574.24400

IR Intesity
(km/mol)
1.65400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.19800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
592.97600

IR Intesity
(km/mol)
10.12100

Eigenvectors

Diff mu X
(Debye)
-0.48900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
618.99200

IR Intesity
(km/mol)
24.22200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.75700

Frequency
(cm-1)
624.33600

IR Intesity
(km/mol)
0.10200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.04900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
643.63800

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
662.75800

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
674.04700

IR Intesity
(km/mol)
0.09900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.04800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
689.96500

IR Intesity
(km/mol)
8.81000

Eigenvectors

Diff mu X
(Debye)
0.45700

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
690.71300

IR Intesity
(km/mol)
2.94100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.26400

Frequency
(cm-1)
708.47700

IR Intesity
(km/mol)
0.02500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.02400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
734.62700

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
754.56900

IR Intesity
(km/mol)
8.01400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.43600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
765.63700

IR Intesity
(km/mol)
48.41700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.07000

Frequency
(cm-1)
767.49300

IR Intesity
(km/mol)
21.55800

Eigenvectors

Diff mu X
(Debye)
0.71400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
787.13700

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
787.46700

IR Intesity
(km/mol)
21.67400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.71600

Frequency
(cm-1)
803.50900

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
805.13700

IR Intesity
(km/mol)
43.55500

Eigenvectors

Diff mu X
(Debye)
1.01500

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
830.26000

IR Intesity
(km/mol)
44.67000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.02800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
833.14900

IR Intesity
(km/mol)
1.31200

Eigenvectors

Diff mu X
(Debye)
0.17600

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
867.72400

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
877.68600

IR Intesity
(km/mol)
3.20200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.27500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
879.88200

IR Intesity
(km/mol)
12.08700

Eigenvectors

Diff mu X
(Debye)
0.53500

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
911.02700

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
926.26700

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
928.22600

IR Intesity
(km/mol)
149.99400

Eigenvectors

Diff mu X
(Debye)
1.88400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
950.97900

IR Intesity
(km/mol)
38.59800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.95600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
979.66000

IR Intesity
(km/mol)
2.61300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.24900

Frequency
(cm-1)
1011.07800

IR Intesity
(km/mol)
1.25100

Eigenvectors

Diff mu X
(Debye)
-0.17200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1015.18900

IR Intesity
(km/mol)
29.59000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.83700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1025.68200

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1032.21600

IR Intesity
(km/mol)
0.80700

Eigenvectors

Diff mu X
(Debye)
0.13800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1043.21200

IR Intesity
(km/mol)
2.22200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.22900

Frequency
(cm-1)
1046.43100

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1053.22800

IR Intesity
(km/mol)
0.27600

Eigenvectors

Diff mu X
(Debye)
-0.08100

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1059.90400

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1069.56700

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1088.03200

IR Intesity
(km/mol)
72.86000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.31300

Frequency
(cm-1)
1090.18400

IR Intesity
(km/mol)
31.37100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.86200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1129.56600

IR Intesity
(km/mol)
0.40700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.09800

Frequency
(cm-1)
1139.76600

IR Intesity
(km/mol)
1.15600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.16500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1193.88100

IR Intesity
(km/mol)
7.56300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.42300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1197.91100

IR Intesity
(km/mol)
0.30800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.08500

Frequency
(cm-1)
1209.09900

IR Intesity
(km/mol)
3.76300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.29800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1213.60500

IR Intesity
(km/mol)
101.80100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.55200

Frequency
(cm-1)
1245.28100

IR Intesity
(km/mol)
0.13700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.05700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1251.69000

IR Intesity
(km/mol)
7.33500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.41700

Frequency
(cm-1)
1280.08600

IR Intesity
(km/mol)
22.14700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.72400

Frequency
(cm-1)
1282.31800

IR Intesity
(km/mol)
3.74900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.29800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1285.49500

IR Intesity
(km/mol)
146.98000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.86500

Frequency
(cm-1)
1298.79700

IR Intesity
(km/mol)
23.39600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.74400

Frequency
(cm-1)
1317.62600

IR Intesity
(km/mol)
1.18400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.16700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1329.20100

IR Intesity
(km/mol)
6.06800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.37900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1342.16900

IR Intesity
(km/mol)
190.32100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-2.12200

Frequency
(cm-1)
1351.97900

IR Intesity
(km/mol)
339.26900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
2.83400

Frequency
(cm-1)
1387.29300

IR Intesity
(km/mol)
99.55200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.53500

Frequency
(cm-1)
1389.25400

IR Intesity
(km/mol)
39.07800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.96200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1394.61700

IR Intesity
(km/mol)
311.89300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
2.71700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1412.08400

IR Intesity
(km/mol)
14.36000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.58300

Frequency
(cm-1)
1427.09500

IR Intesity
(km/mol)
0.03900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.03000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1427.90400

IR Intesity
(km/mol)
45.38400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.03600

Frequency
(cm-1)
1434.67500

IR Intesity
(km/mol)
15.34500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.60300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1439.76500

IR Intesity
(km/mol)
6.75300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.40000

Frequency
(cm-1)
1467.44500

IR Intesity
(km/mol)
54.08800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.13100

Frequency
(cm-1)
1488.68700

IR Intesity
(km/mol)
1.82000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.20800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1510.78000

IR Intesity
(km/mol)
41.17400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.98700

Frequency
(cm-1)
1514.43600

IR Intesity
(km/mol)
11.76100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.52800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1525.24700

IR Intesity
(km/mol)
55.63700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.14700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1534.14500

IR Intesity
(km/mol)
12.43800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.54300

Frequency
(cm-1)
1536.79400

IR Intesity
(km/mol)
5.38900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.35700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1548.99000

IR Intesity
(km/mol)
125.23200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.72200

Frequency
(cm-1)
1553.39400

IR Intesity
(km/mol)
46.34000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.04700

Frequency
(cm-1)
1556.25600

IR Intesity
(km/mol)
56.18400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.15300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1602.34300

IR Intesity
(km/mol)
104.95900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-1.57600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1607.58000

IR Intesity
(km/mol)
191.05800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.00100

Diff mu Z
(Debye)
2.12600

Frequency
(cm-1)
1608.65000

IR Intesity
(km/mol)
236.60400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
2.36600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1621.95400

IR Intesity
(km/mol)
201.18100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-2.18200

Frequency
(cm-1)
1630.64300

IR Intesity
(km/mol)
347.34400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-2.86700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1643.62100

IR Intesity
(km/mol)
11.14700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.51400

Frequency
(cm-1)
1680.70600

IR Intesity
(km/mol)
35.23200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.91300

Frequency
(cm-1)
3214.03300

IR Intesity
(km/mol)
0.04100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.03100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3214.06000

IR Intesity
(km/mol)
0.03400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.02800

Frequency
(cm-1)
3216.06200

IR Intesity
(km/mol)
0.87000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.14300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3216.14300

IR Intesity
(km/mol)
0.07300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.04200

Frequency
(cm-1)
3218.98400

IR Intesity
(km/mol)
0.69100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.12800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3229.01800

IR Intesity
(km/mol)
0.52300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.11100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3230.81400

IR Intesity
(km/mol)
0.10300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.04900

Frequency
(cm-1)
3231.20200

IR Intesity
(km/mol)
1.92500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.21300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3234.38000

IR Intesity
(km/mol)
0.00700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.01300

Frequency
(cm-1)
3238.74100

IR Intesity
(km/mol)
0.37400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.09400

Frequency
(cm-1)
3246.92500

IR Intesity
(km/mol)
0.11300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.05200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3251.44000

IR Intesity
(km/mol)
0.87700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.14400

Frequency
(cm-1)
3269.32600

IR Intesity
(km/mol)
0.23300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.07400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3270.18600

IR Intesity
(km/mol)
0.83900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.14100
Back
Theoretical spectral database of polycyclic aromatic hydrocarbons