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Compare vibrational frequencies in CCCBDB for C5H8 (1,3-Pentadiene, (Z)-)

CCSD(T)/TZVP

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 3248 3126   66 A'   3060  
2 A' 3185 3066   6 A'   3060  
3 A' 3169 3050   35 A'   3015  
4 A' 3155 3036   38 A'   2998  
5 A' 3149 3030   32 A'   2998  
6 A' 3137 3019   81 A'   2938  
7 A' 3041 2927   8 A'   2919  
8 A' 1704 1640   -16 A'   1656  
9 A' 1642 1580   -22 A'   1602  
10 A' 1511 1454   9 A'   1445  
11 A' 1483 1427   -8 A'   1435  
12 A' 1437 1383   -8 A'   1391  
13 A' 1399 1346   -11 A'   1357  
14 A' 1328 1278   -22 A'   1300  
15 A' 1289 1241   -13 A'   1254  
16 A' 1194 1149   -20 A'   1169  
17 A' 1068 1028   3 A'   1025  
18 A' 966 929   -35 A'   964  
19 A' 892 859   19 A'   840  
20 A' 612 589   -38 A'   627  
21 A' 388 373   -29 A'   402  
22 A' 224 215   71 A'   144  
23 A" 3095 2979   4 A"   2975  
24 A" 1480 1425   -46 A"   1471  
25 A" 1054 1015   6 A"   1009  
26 A" 952 917   -80 A"   997  
27 A" 857 825   -96 A"   921  
28 A" 762 733   -173 A"   906  
29 A" 683 658   -115 A"   773  
30 A" 542 522   -105 A"   627  
31 A" 279 268   -188 A"   456  
32 A" 77 74   -97 A"   171  
33 A" 62 59           
The calculated vibrational frequencies were scaled by 0.9625

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.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.