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Compare vibrational frequencies in CCCBDB for CH3SO2NH2 (methanesulfonamide)

G3

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' 3761 3761   516 A'   3245  
2 A' 3348 3348   328 A'   3020  
3 A' 3250 3250   310 A'   2940  
4 A' 1771 1771   195 A'   1576  
5 A' 1598 1598   179 A'   1419  
6 A' 1532 1532   199 A'   1333  
7 A' 1260 1260   115 A'   1145  
8 A' 1108 1108   119 A'   989  
9 A' 994 994   113 A'   881  
10 A' 822 822   44 A'   778  
11 A' 756 756   67 A'   689  
12 A' 553 553   20 A'   533  
13 A' 536 536   43 A'   493  
14 A' 323 323   5 A'   318  
15 A" 3874 3874   554 A"   3320  
16 A" 3359 3359   339 A"   3020  
17 A" 1599 1599           
18 A" 1486 1486   171 A"   1315  
19 A" 1221 1221   55 A"   1166  
20 A" 1096 1096   136 A"   960  
21 A" 443 443   14 A"   429  
22 A" 364 364           
23 A" 243 243           
24 A" 194 194           
The calculated vibrational frequencies were scaled by 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.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.