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Calculated Frequencies for C6H15N (triethylamine) 1A C3

LSDA/6-311G** 1A C3

19 05 15 13 41
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 INChIKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N
Mode
Number
Symmetry Frequency
(cm-1)
Scaled Frequency
(cm-1)
IR Intensity
(km/mol)
reduced mass
(u)
description Raman Act
4/u)
Dep P Dep U
1 A 3062 3025 27.815 1.1022      
2 A 3048 3010 3.723 1.1007      
3 A 2996 2960 0.006 1.0836      
4 A 2973 2936 7.992 1.0365      
5 A 2811 2776 214.561 1.0718      
6 A 1443 1425 19.699 1.0981      
7 A 1411 1394 8.811 1.0436      
8 A 1405 1388 0.170 1.0578      
9 A 1357 1340 16.557 1.6257      
10 A 1331 1314 8.964 1.2293      
11 A 1266 1250 8.729 1.123      
12 A 1131 1117 15.948 1.9203      
13 A 1059 1046 1.942 2.1275      
14 A 1037 1024 19.236 1.7345      
15 A 790 781 0.180 1.3162      
16 A 753 744 12.855 1.7029      
17 A 427 422 2.570 2.6059      
18 A 312 308 1.233 1.7782      
19 A 175 173 0.408 1.3805      
20 A 67 67 0.084 1.7458      
21 E 3062 3024 15.418 1.1023      
22 E 3049 3011 74.029 1.0999      
23 E 2998 2961 32.984 1.0853      
24 E 2973 2936 42.772 1.0372      
25 E 2800 2766 46.636 1.0739      
26 E 1434 1416 18.966 1.0734      
27 E 1423 1406 18.452 1.06      
28 E 1406 1389 1.914 1.0652      
29 E 1358 1341 50.163 1.5379      
30 E 1326 1309 11.538 1.3177      
31 E 1277 1262 54.946 1.3684      
32 E 1208 1193 61.506 1.9344      
33 E 1097 1084 28.651 2.1617      
34 E 1067 1054 14.742 1.7373      
35 E 920 908 2.331 1.6743      
36 E 772 762 6.619 1.1406      
37 E 474 468 6.835 2.4175      
38 E 295 291 0.740 2.0656      
39 E 218 215 0.078 1.2353      
40 E 93 92 0.762 1.7475      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 43677 cm-1
Scaled (by 0.9877) Zero Point Vibrational Energy (zpe) 43139 cm-1

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.

List of Irreducible Representations for C3

Rep deg. n vib IR R
A 1 20 active active
E 2 20 active active