Benzo[a]coronene (C28H14)

General Molecule Info

Charge: 1

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+1

Electronic States

Energy
(eV)
-1073.90487

Description
D0

Multiplicity
2

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)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374

Dipole Moments

 mu_x
(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analisis Harmonic

Frequency
(cm-1)
39.53800

IR Intesity
(km/mol)
0.07300

Eigenvectors

Diff mu X
(Debye)
0.04200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
70.77300

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)
106.27000

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)
112.29200

IR Intesity
(km/mol)
4.98000

Eigenvectors

Diff mu X
(Debye)
0.34300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
131.04300

IR Intesity
(km/mol)
3.05400

Eigenvectors

Diff mu X
(Debye)
0.26900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
197.73400

IR Intesity
(km/mol)
0.00100

Eigenvectors

Diff mu X
(Debye)
0.00400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
239.22600

IR Intesity
(km/mol)
1.05800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.15800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
240.23200

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)
286.80900

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)
290.55700

IR Intesity
(km/mol)
0.04100

Eigenvectors

Diff mu X
(Debye)
0.03100

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
315.58000

IR Intesity
(km/mol)
0.79900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.13800

Frequency
(cm-1)
328.79400

IR Intesity
(km/mol)
0.73800

Eigenvectors

Diff mu X
(Debye)
0.13200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
348.05600

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)
366.44900

IR Intesity
(km/mol)
27.16200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.80200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
396.56400

IR Intesity
(km/mol)
4.80000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.33700

Frequency
(cm-1)
432.96300

IR Intesity
(km/mol)
1.89000

Eigenvectors

Diff mu X
(Debye)
-0.21100

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
434.74700

IR Intesity
(km/mol)
0.96400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.15100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
444.33500

IR Intesity
(km/mol)
0.23400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.07400

Frequency
(cm-1)
478.43800

IR Intesity
(km/mol)
4.27400

Eigenvectors

Diff mu X
(Debye)
-0.31800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
478.68800

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)
489.65700

IR Intesity
(km/mol)
1.17000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.16600

Frequency
(cm-1)
516.52800

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)
520.14200

IR Intesity
(km/mol)
1.16000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.16600

Frequency
(cm-1)
520.94600

IR Intesity
(km/mol)
0.87300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.14400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
545.22600

IR Intesity
(km/mol)
6.69600

Eigenvectors

Diff mu X
(Debye)
-0.39800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
565.74100

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)
577.04800

IR Intesity
(km/mol)
13.71100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.57000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
592.44000

IR Intesity
(km/mol)
6.97200

Eigenvectors

Diff mu X
(Debye)
-0.40600

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
627.98500

IR Intesity
(km/mol)
0.01200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.01700

Frequency
(cm-1)
633.28700

IR Intesity
(km/mol)
1.64300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.19700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
651.95500

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)
667.92400

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)
680.74000

IR Intesity
(km/mol)
1.73100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.20200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
690.74300

IR Intesity
(km/mol)
7.82500

Eigenvectors

Diff mu X
(Debye)
-0.43000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
702.12900

IR Intesity
(km/mol)
0.44300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.10200

Frequency
(cm-1)
716.58300

IR Intesity
(km/mol)
3.82100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.30100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
751.17100

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)
775.73600

IR Intesity
(km/mol)
3.97800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.30700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
777.86200

IR Intesity
(km/mol)
25.29000

Eigenvectors

Diff mu X
(Debye)
0.77400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
782.49800

IR Intesity
(km/mol)
11.41100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.52000

Frequency
(cm-1)
786.94800

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)
801.69900

IR Intesity
(km/mol)
35.05400

Eigenvectors

Diff mu X
(Debye)
-0.91100

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
816.47800

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)
817.45800

IR Intesity
(km/mol)
96.72800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.51300

Frequency
(cm-1)
825.81900

IR Intesity
(km/mol)
0.00100

Eigenvectors

Diff mu X
(Debye)
-0.00500

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
853.99000

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)
866.77100

IR Intesity
(km/mol)
164.37600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.97200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
867.62400

IR Intesity
(km/mol)
9.56300

Eigenvectors

Diff mu X
(Debye)
0.47600

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
895.11600

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)
896.23600

IR Intesity
(km/mol)
3.37900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.28300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
910.67600

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)
911.51200

IR Intesity
(km/mol)
130.59700

Eigenvectors

Diff mu X
(Debye)
1.75800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
995.45500

IR Intesity
(km/mol)
1.26300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.17300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
995.52400

IR Intesity
(km/mol)
1.38400

Eigenvectors

Diff mu X
(Debye)
0.18100

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1000.04500

IR Intesity
(km/mol)
67.14800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.26100

Frequency
(cm-1)
1009.28300

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)
1015.35000

IR Intesity
(km/mol)
0.37200

Eigenvectors

Diff mu X
(Debye)
0.09400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1025.79400

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)
1032.40500

IR Intesity
(km/mol)
0.14800

Eigenvectors

Diff mu X
(Debye)
0.05900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1041.83700

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)
1051.40700

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)
1061.25600

IR Intesity
(km/mol)
12.60800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.54600

Frequency
(cm-1)
1079.45400

IR Intesity
(km/mol)
7.42600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.41900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1105.83300

IR Intesity
(km/mol)
14.82300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.59200

Frequency
(cm-1)
1143.89400

IR Intesity
(km/mol)
3.39300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.28300

Frequency
(cm-1)
1167.05700

IR Intesity
(km/mol)
77.03700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-1.35000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1200.93500

IR Intesity
(km/mol)
35.21400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.91300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1203.53100

IR Intesity
(km/mol)
19.89000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.68600

Frequency
(cm-1)
1203.66400

IR Intesity
(km/mol)
7.56200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.42300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1216.76200

IR Intesity
(km/mol)
66.54400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.25500

Frequency
(cm-1)
1233.65200

IR Intesity
(km/mol)
6.66900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.39700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1247.13400

IR Intesity
(km/mol)
0.20100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.06900

Frequency
(cm-1)
1273.19400

IR Intesity
(km/mol)
12.08200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.53500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1275.45000

IR Intesity
(km/mol)
0.90900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.14700

Frequency
(cm-1)
1284.25700

IR Intesity
(km/mol)
161.31400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.95400

Frequency
(cm-1)
1286.01900

IR Intesity
(km/mol)
148.21700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.87300

Frequency
(cm-1)
1296.05500

IR Intesity
(km/mol)
1.09800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.16100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1314.93600

IR Intesity
(km/mol)
161.45200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.95500

Frequency
(cm-1)
1316.44600

IR Intesity
(km/mol)
7.59100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.42400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1344.99300

IR Intesity
(km/mol)
58.47900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-1.17600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1364.16000

IR Intesity
(km/mol)
3.04400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.26800

Frequency
(cm-1)
1380.04100

IR Intesity
(km/mol)
284.01800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
2.59300

Frequency
(cm-1)
1397.48100

IR Intesity
(km/mol)
0.00300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.00900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1402.38000

IR Intesity
(km/mol)
2.49400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.24300

Frequency
(cm-1)
1416.79100

IR Intesity
(km/mol)
5.45200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.35900

Frequency
(cm-1)
1424.18700

IR Intesity
(km/mol)
164.78200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.97500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1435.89400

IR Intesity
(km/mol)
45.01800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.03200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1443.05600

IR Intesity
(km/mol)
33.60600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.89200

Frequency
(cm-1)
1456.48900

IR Intesity
(km/mol)
62.15700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.21300

Frequency
(cm-1)
1469.75700

IR Intesity
(km/mol)
25.99100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.78400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1500.73600

IR Intesity
(km/mol)
5.30600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.35400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1503.32700

IR Intesity
(km/mol)
0.15200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.06000

Frequency
(cm-1)
1524.69500

IR Intesity
(km/mol)
0.26700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.07900

Frequency
(cm-1)
1530.08000

IR Intesity
(km/mol)
96.13200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.50800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1543.06400

IR Intesity
(km/mol)
46.63100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.05100

Frequency
(cm-1)
1547.28500

IR Intesity
(km/mol)
23.86900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.75200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1548.97300

IR Intesity
(km/mol)
11.35600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.51800

Frequency
(cm-1)
1570.27800

IR Intesity
(km/mol)
12.39000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.54100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1575.00700

IR Intesity
(km/mol)
1.26800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.17300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1597.79700

IR Intesity
(km/mol)
24.27500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.75800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1610.61400

IR Intesity
(km/mol)
78.87500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.36600

Frequency
(cm-1)
1616.63900

IR Intesity
(km/mol)
206.52200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
2.21100

Frequency
(cm-1)
1633.74800

IR Intesity
(km/mol)
760.75100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
4.24300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1643.75300

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)
1649.01200

IR Intesity
(km/mol)
0.57400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.11700

Frequency
(cm-1)
1668.61400

IR Intesity
(km/mol)
22.13800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.72400

Frequency
(cm-1)
3194.03300

IR Intesity
(km/mol)
10.73200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.50400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3196.17000

IR Intesity
(km/mol)
0.06900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.04000

Frequency
(cm-1)
3200.66300

IR Intesity
(km/mol)
25.36400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.77500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3204.66300

IR Intesity
(km/mol)
0.43800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.10200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3206.13000

IR Intesity
(km/mol)
0.76000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.13400

Frequency
(cm-1)
3210.24100

IR Intesity
(km/mol)
1.67200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.19900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3219.22800

IR Intesity
(km/mol)
7.35600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.41700

Frequency
(cm-1)
3219.86000

IR Intesity
(km/mol)
1.33400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.17800

Frequency
(cm-1)
3230.53600

IR Intesity
(km/mol)
27.58200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.80800

Frequency
(cm-1)
3233.02600

IR Intesity
(km/mol)
4.80300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.33700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3245.58900

IR Intesity
(km/mol)
62.13500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.21300

Frequency
(cm-1)
3252.43300

IR Intesity
(km/mol)
412.23400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
3.12300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3267.21800

IR Intesity
(km/mol)
78.35600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.36200

Frequency
(cm-1)
3281.33500

IR Intesity
(km/mol)
207.77100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-2.21700

Diff mu Z
(Debye)
0.00000
Back
Theoretical spectral database of polycyclic aromatic hydrocarbons