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)
-1074.15550

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)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372

Dipole Moments

 mu_x
(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analisis Harmonic

Frequency
(cm-1)
37.88000

IR Intesity
(km/mol)
0.03500

Eigenvectors

Diff mu X
(Debye)
-0.02900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
67.28100

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)
99.32800

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)
114.19900

IR Intesity
(km/mol)
0.35300

Eigenvectors

Diff mu X
(Debye)
-0.09100

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
133.99500

IR Intesity
(km/mol)
1.08600

Eigenvectors

Diff mu X
(Debye)
0.16000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
200.67000

IR Intesity
(km/mol)
0.00200

Eigenvectors

Diff mu X
(Debye)
-0.00700

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
215.49400

IR Intesity
(km/mol)
0.18900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.06700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
250.26100

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)
293.65000

IR Intesity
(km/mol)
0.03100

Eigenvectors

Diff mu X
(Debye)
-0.02700

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
298.96000

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)
315.61000

IR Intesity
(km/mol)
6.95200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.40600

Frequency
(cm-1)
319.00500

IR Intesity
(km/mol)
0.27300

Eigenvectors

Diff mu X
(Debye)
0.08000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
333.01200

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)
336.17900

IR Intesity
(km/mol)
1.00100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.15400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
397.92400

IR Intesity
(km/mol)
4.56200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.32900

Frequency
(cm-1)
423.23800

IR Intesity
(km/mol)
2.89800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.26200

Frequency
(cm-1)
425.93100

IR Intesity
(km/mol)
1.72200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.20200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
428.73300

IR Intesity
(km/mol)
0.22700

Eigenvectors

Diff mu X
(Debye)
0.07300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
479.49000

IR Intesity
(km/mol)
5.27700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.35300

Frequency
(cm-1)
484.02200

IR Intesity
(km/mol)
5.69500

Eigenvectors

Diff mu X
(Debye)
-0.36700

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
491.43200

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)
518.00900

IR Intesity
(km/mol)
1.36900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.18000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
521.92800

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)
523.66300

IR Intesity
(km/mol)
0.40100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.09700

Frequency
(cm-1)
560.63900

IR Intesity
(km/mol)
1.35700

Eigenvectors

Diff mu X
(Debye)
0.17900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
570.31500

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)
572.30700

IR Intesity
(km/mol)
7.19400

Eigenvectors

Diff mu X
(Debye)
0.41300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
578.70600

IR Intesity
(km/mol)
0.34200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.09000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
626.92700

IR Intesity
(km/mol)
12.66600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.54800

Frequency
(cm-1)
630.93300

IR Intesity
(km/mol)
0.91600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.14700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
639.31200

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)
662.72800

IR Intesity
(km/mol)
4.26500

Eigenvectors

Diff mu X
(Debye)
0.31800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
670.65600

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)
681.67700

IR Intesity
(km/mol)
0.00800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.01400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
702.31000

IR Intesity
(km/mol)
0.99600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.15400

Frequency
(cm-1)
724.72700

IR Intesity
(km/mol)
13.11500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.55700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
748.51000

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)
759.12900

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)
761.79300

IR Intesity
(km/mol)
61.25400

Eigenvectors

Diff mu X
(Debye)
1.20400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
765.23500

IR Intesity
(km/mol)
0.09000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.04600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
767.70000

IR Intesity
(km/mol)
1.14100

Eigenvectors

Diff mu X
(Debye)
-0.16400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
773.15100

IR Intesity
(km/mol)
10.12500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.49000

Frequency
(cm-1)
791.79700

IR Intesity
(km/mol)
0.82700

Eigenvectors

Diff mu X
(Debye)
-0.14000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
801.22700

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)
822.15600

IR Intesity
(km/mol)
4.43800

Eigenvectors

Diff mu X
(Debye)
-0.32400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
822.31700

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)
828.66100

IR Intesity
(km/mol)
45.40800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.03700

Frequency
(cm-1)
841.62000

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)
853.24800

IR Intesity
(km/mol)
117.79400

Eigenvectors

Diff mu X
(Debye)
1.67000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
858.15300

IR Intesity
(km/mol)
50.23600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.09000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
868.15200

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)
890.80800

IR Intesity
(km/mol)
0.04700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.03300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
918.45700

IR Intesity
(km/mol)
3.36200

Eigenvectors

Diff mu X
(Debye)
0.28200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
931.27700

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)
936.66100

IR Intesity
(km/mol)
0.21900

Eigenvectors

Diff mu X
(Debye)
0.07200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
944.33300

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)
947.74000

IR Intesity
(km/mol)
1.44700

Eigenvectors

Diff mu X
(Debye)
0.18500

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
978.14800

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)
980.24700

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)
989.48300

IR Intesity
(km/mol)
1.16000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.16600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
996.43500

IR Intesity
(km/mol)
50.58700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.09400

Frequency
(cm-1)
1046.81800

IR Intesity
(km/mol)
0.00100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.00600

Frequency
(cm-1)
1074.72800

IR Intesity
(km/mol)
0.21200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.07100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1104.98900

IR Intesity
(km/mol)
0.32800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.08800

Frequency
(cm-1)
1134.31000

IR Intesity
(km/mol)
23.93000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.75300

Frequency
(cm-1)
1153.62900

IR Intesity
(km/mol)
37.68500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.94400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1181.83700

IR Intesity
(km/mol)
21.40300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.71200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1190.90000

IR Intesity
(km/mol)
114.56700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.64700

Frequency
(cm-1)
1197.09900

IR Intesity
(km/mol)
13.45200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.56400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1202.93300

IR Intesity
(km/mol)
1.29500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.17500

Frequency
(cm-1)
1215.77800

IR Intesity
(km/mol)
15.91400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.61400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1232.09000

IR Intesity
(km/mol)
5.61800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.36500

Frequency
(cm-1)
1253.18700

IR Intesity
(km/mol)
24.25000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.75800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1258.11900

IR Intesity
(km/mol)
94.87500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.49800

Frequency
(cm-1)
1263.51800

IR Intesity
(km/mol)
71.94700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.30500

Frequency
(cm-1)
1276.31600

IR Intesity
(km/mol)
0.04500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.03300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1282.10700

IR Intesity
(km/mol)
2.96100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.26500

Frequency
(cm-1)
1305.56700

IR Intesity
(km/mol)
157.15900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.92900

Frequency
(cm-1)
1306.33400

IR Intesity
(km/mol)
27.73600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.81000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1325.44900

IR Intesity
(km/mol)
5.07900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.34700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1340.24400

IR Intesity
(km/mol)
256.74100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-2.46500

Frequency
(cm-1)
1360.30200

IR Intesity
(km/mol)
228.89200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
2.32700

Frequency
(cm-1)
1379.37000

IR Intesity
(km/mol)
282.96100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-2.58800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1384.61500

IR Intesity
(km/mol)
6.06700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.37900

Frequency
(cm-1)
1386.67000

IR Intesity
(km/mol)
15.39800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.60400

Frequency
(cm-1)
1392.33800

IR Intesity
(km/mol)
114.40700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.64500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1412.68000

IR Intesity
(km/mol)
11.65000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.52500

Frequency
(cm-1)
1422.90200

IR Intesity
(km/mol)
10.90000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.50800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1433.01000

IR Intesity
(km/mol)
5.47800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.36000

Frequency
(cm-1)
1456.13600

IR Intesity
(km/mol)
24.43200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.76000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1483.15600

IR Intesity
(km/mol)
11.13400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.51300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1486.53800

IR Intesity
(km/mol)
0.10900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.05100

Frequency
(cm-1)
1507.22400

IR Intesity
(km/mol)
16.52100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.62500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1508.77400

IR Intesity
(km/mol)
2.38800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.23800

Frequency
(cm-1)
1522.00900

IR Intesity
(km/mol)
57.58300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
1.16700

Frequency
(cm-1)
1528.30000

IR Intesity
(km/mol)
15.33400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.60200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1541.31300

IR Intesity
(km/mol)
23.39800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.74400

Frequency
(cm-1)
1547.29100

IR Intesity
(km/mol)
119.37400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.68100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1561.57900

IR Intesity
(km/mol)
6.61200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.39600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1586.80900

IR Intesity
(km/mol)
30.70500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.85200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1587.86300

IR Intesity
(km/mol)
71.49300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.30100

Frequency
(cm-1)
1612.10800

IR Intesity
(km/mol)
187.38000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-2.10600

Frequency
(cm-1)
1627.71600

IR Intesity
(km/mol)
16.51100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.62500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1636.50400

IR Intesity
(km/mol)
7.58900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.42400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1642.80000

IR Intesity
(km/mol)
0.95800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.15100

Frequency
(cm-1)
1656.99800

IR Intesity
(km/mol)
98.80600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.52900

Frequency
(cm-1)
3131.74700

IR Intesity
(km/mol)
35.03400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.91100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3137.60000

IR Intesity
(km/mol)
18.36300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.65900

Frequency
(cm-1)
3143.65800

IR Intesity
(km/mol)
64.19800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-1.23300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3145.10300

IR Intesity
(km/mol)
0.07200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.04100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3151.28800

IR Intesity
(km/mol)
0.89500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.14600

Frequency
(cm-1)
3152.96700

IR Intesity
(km/mol)
0.23000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.07400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3162.93100

IR Intesity
(km/mol)
137.31600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.80300

Frequency
(cm-1)
3168.68400

IR Intesity
(km/mol)
114.64600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.64700

Frequency
(cm-1)
3179.31300

IR Intesity
(km/mol)
18.13600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.65500

Frequency
(cm-1)
3180.90500

IR Intesity
(km/mol)
38.82100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.95900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3190.06600

IR Intesity
(km/mol)
52.16100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.11100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3193.08600

IR Intesity
(km/mol)
36.71300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.93200

Frequency
(cm-1)
3217.75900

IR Intesity
(km/mol)
2.48100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.24200

Frequency
(cm-1)
3226.80500

IR Intesity
(km/mol)
0.05400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.03600

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