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)
-1074.14485

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)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375

Dipole Moments

 mu_x
(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021

Vibration Analisys

Harmonic: link
Anharmonic: None

Vibration Analisis Harmonic

Frequency
(cm-1)
42.21900

IR Intesity
(km/mol)
0.06300

Eigenvectors

Diff mu X
(Debye)
0.03900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
69.20800

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)
108.73600

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)
113.00400

IR Intesity
(km/mol)
2.21100

Eigenvectors

Diff mu X
(Debye)
0.22900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
133.83100

IR Intesity
(km/mol)
1.58400

Eigenvectors

Diff mu X
(Debye)
0.19400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
201.25700

IR Intesity
(km/mol)
0.02500

Eigenvectors

Diff mu X
(Debye)
0.02500

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
227.85300

IR Intesity
(km/mol)
0.75500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.13400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
245.61500

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)
295.58300

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
300.42600

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)
315.39100

IR Intesity
(km/mol)
0.02700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.02500

Frequency
(cm-1)
331.88100

IR Intesity
(km/mol)
0.58900

Eigenvectors

Diff mu X
(Debye)
-0.11800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
345.08300

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)
360.03500

IR Intesity
(km/mol)
0.00500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.01100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
396.15400

IR Intesity
(km/mol)
2.48700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.24300

Frequency
(cm-1)
429.85200

IR Intesity
(km/mol)
0.92300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.14800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
437.17300

IR Intesity
(km/mol)
0.51300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.11000

Frequency
(cm-1)
444.36000

IR Intesity
(km/mol)
1.53100

Eigenvectors

Diff mu X
(Debye)
0.19000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
486.54500

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)
489.66600

IR Intesity
(km/mol)
6.56200

Eigenvectors

Diff mu X
(Debye)
-0.39400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
494.13300

IR Intesity
(km/mol)
0.14400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.05800

Frequency
(cm-1)
517.21500

IR Intesity
(km/mol)
0.11900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.05300

Frequency
(cm-1)
519.31500

IR Intesity
(km/mol)
0.76300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.13400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
541.10400

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)
566.06000

IR Intesity
(km/mol)
5.83400

Eigenvectors

Diff mu X
(Debye)
-0.37200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
571.18600

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)
576.87900

IR Intesity
(km/mol)
0.27100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.08000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
592.28700

IR Intesity
(km/mol)
4.99400

Eigenvectors

Diff mu X
(Debye)
-0.34400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
626.19600

IR Intesity
(km/mol)
1.81100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.20700

Frequency
(cm-1)
633.20800

IR Intesity
(km/mol)
0.75500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.13400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
652.23100

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)
676.74700

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)
681.40100

IR Intesity
(km/mol)
0.33300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.08900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
688.94300

IR Intesity
(km/mol)
6.53800

Eigenvectors

Diff mu X
(Debye)
0.39300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
698.26100

IR Intesity
(km/mol)
3.47000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.28700

Frequency
(cm-1)
711.61800

IR Intesity
(km/mol)
0.31700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.08700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
759.92500

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)
767.49900

IR Intesity
(km/mol)
1.27500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.17400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
780.49600

IR Intesity
(km/mol)
2.27600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.23200

Frequency
(cm-1)
782.49100

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)
782.70800

IR Intesity
(km/mol)
51.35500

Eigenvectors

Diff mu X
(Debye)
1.10200

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
794.08000

IR Intesity
(km/mol)
10.73200

Eigenvectors

Diff mu X
(Debye)
0.50400

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
811.73100

IR Intesity
(km/mol)
7.29800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.41600

Frequency
(cm-1)
819.88900

IR Intesity
(km/mol)
1.12500

Eigenvectors

Diff mu X
(Debye)
-0.16300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
833.54100

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)
841.14500

IR Intesity
(km/mol)
0.15700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.06100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
841.25200

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)
855.39900

IR Intesity
(km/mol)
11.57700

Eigenvectors

Diff mu X
(Debye)
-0.52300

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
878.29300

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)
892.87300

IR Intesity
(km/mol)
2.22800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.23000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
893.99700

IR Intesity
(km/mol)
125.21100

Eigenvectors

Diff mu X
(Debye)
1.72100

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
895.45700

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)
976.02500

IR Intesity
(km/mol)
2.37900

Eigenvectors

Diff mu X
(Debye)
0.23700

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
984.00900

IR Intesity
(km/mol)
0.67000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.12600

Frequency
(cm-1)
991.21400

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)
991.27600

IR Intesity
(km/mol)
0.03200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.02700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
997.06400

IR Intesity
(km/mol)
0.32400

Eigenvectors

Diff mu X
(Debye)
0.08800

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1002.38500

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)
1012.94700

IR Intesity
(km/mol)
0.03600

Eigenvectors

Diff mu X
(Debye)
-0.02900

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1019.54100

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)
1027.42200

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)
1038.96400

IR Intesity
(km/mol)
0.19800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.06800

Frequency
(cm-1)
1070.82500

IR Intesity
(km/mol)
0.10700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.05000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1088.10200

IR Intesity
(km/mol)
4.82100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.33800

Frequency
(cm-1)
1119.49300

IR Intesity
(km/mol)
0.00800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.01400

Frequency
(cm-1)
1152.04600

IR Intesity
(km/mol)
0.14000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.05800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1198.51800

IR Intesity
(km/mol)
3.92100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.30500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1203.82900

IR Intesity
(km/mol)
2.04100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.22000

Frequency
(cm-1)
1214.79000

IR Intesity
(km/mol)
0.00800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.01300

Frequency
(cm-1)
1219.19000

IR Intesity
(km/mol)
0.42400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.10000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1233.74000

IR Intesity
(km/mol)
1.75100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.20400

Frequency
(cm-1)
1236.77900

IR Intesity
(km/mol)
0.10000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.04900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1244.42600

IR Intesity
(km/mol)
0.02700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.02500

Frequency
(cm-1)
1273.68200

IR Intesity
(km/mol)
0.88800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.14500

Frequency
(cm-1)
1277.47100

IR Intesity
(km/mol)
1.19800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.16800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1281.20100

IR Intesity
(km/mol)
0.61000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.12000

Frequency
(cm-1)
1292.82800

IR Intesity
(km/mol)
1.95300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.21500

Frequency
(cm-1)
1294.07800

IR Intesity
(km/mol)
1.29300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.17500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1318.43600

IR Intesity
(km/mol)
13.71300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.57000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1355.74700

IR Intesity
(km/mol)
0.91500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.14700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1359.17200

IR Intesity
(km/mol)
6.94500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.40500

Frequency
(cm-1)
1377.08800

IR Intesity
(km/mol)
5.68100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.36700

Frequency
(cm-1)
1391.33300

IR Intesity
(km/mol)
16.98600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.63400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1394.33100

IR Intesity
(km/mol)
1.03700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.15700

Frequency
(cm-1)
1415.07100

IR Intesity
(km/mol)
0.05100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.03500

Frequency
(cm-1)
1439.51200

IR Intesity
(km/mol)
0.05800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.03700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1441.75600

IR Intesity
(km/mol)
0.69500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.12800

Frequency
(cm-1)
1446.28200

IR Intesity
(km/mol)
0.08500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.04500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1461.63000

IR Intesity
(km/mol)
1.09700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.16100

Frequency
(cm-1)
1475.12500

IR Intesity
(km/mol)
0.58400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.11800

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1490.41600

IR Intesity
(km/mol)
4.77100

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.33600

Frequency
(cm-1)
1493.10800

IR Intesity
(km/mol)
0.00600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.01200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1509.53100

IR Intesity
(km/mol)
6.04800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.37800

Frequency
(cm-1)
1525.83300

IR Intesity
(km/mol)
1.40000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.18200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1538.07200

IR Intesity
(km/mol)
9.54600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.47500

Frequency
(cm-1)
1554.46600

IR Intesity
(km/mol)
2.05600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.22100

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1556.33200

IR Intesity
(km/mol)
7.53400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.42200

Frequency
(cm-1)
1590.27800

IR Intesity
(km/mol)
0.00400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.01000

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1600.55200

IR Intesity
(km/mol)
1.39600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.18200

Frequency
(cm-1)
1604.53700

IR Intesity
(km/mol)
0.33400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.08900

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1637.92200

IR Intesity
(km/mol)
0.01300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.01800

Frequency
(cm-1)
1664.32000

IR Intesity
(km/mol)
4.25600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.31700

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1666.70200

IR Intesity
(km/mol)
0.42900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.10100

Frequency
(cm-1)
1670.49500

IR Intesity
(km/mol)
0.53000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.11200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
1673.79800

IR Intesity
(km/mol)
6.46500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.39100

Frequency
(cm-1)
1677.40300

IR Intesity
(km/mol)
9.18400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.46600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3176.63000

IR Intesity
(km/mol)
2.35800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.23600

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3177.84500

IR Intesity
(km/mol)
3.12700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.27200

Frequency
(cm-1)
3179.02900

IR Intesity
(km/mol)
1.43700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.18400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3184.58500

IR Intesity
(km/mol)
21.00600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.70500

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3184.83600

IR Intesity
(km/mol)
0.02600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.02500

Frequency
(cm-1)
3187.96100

IR Intesity
(km/mol)
9.43300

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.47200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3197.67800

IR Intesity
(km/mol)
3.67600

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.29500

Frequency
(cm-1)
3199.54000

IR Intesity
(km/mol)
76.29200

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
1.34400

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3201.08700

IR Intesity
(km/mol)
88.00900

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-1.44300

Frequency
(cm-1)
3203.67800

IR Intesity
(km/mol)
26.48700

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.79200

Frequency
(cm-1)
3219.80000

IR Intesity
(km/mol)
0.00000

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-0.00300

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3223.55500

IR Intesity
(km/mol)
2.16400

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
0.22600

Frequency
(cm-1)
3240.07100

IR Intesity
(km/mol)
54.14800

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
-1.13200

Diff mu Z
(Debye)
0.00000

Frequency
(cm-1)
3242.27900

IR Intesity
(km/mol)
36.28500

Eigenvectors

Diff mu X
(Debye)
0.00000

Diff mu Y
(Debye)
0.00000

Diff mu Z
(Debye)
-0.92700
Back
Theoretical spectral database of polycyclic aromatic hydrocarbons