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Compare vibrational frequencies in CCCBDB for C2H3NO3 (Oxamic acid)

HF/6-31G(2df,p)

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' 4116 3727   387 A'   3340  
2 A' 3988 3611   382 A'   3229  
3 A' 3845 3482   882 A'   2600 hydrogen bonded
4 A' 2031 1839   98 A'   1741  
5 A' 1995 1806   119 A'   1687  
6 A' 1759 1593   -2 A'   1595  
7 A' 1571 1423   -47 A'   1470  
8 A' 1429 1294   -66 A'   1360  
9 A' 1315 1191   -50 A'   1241  
10 A' 1198 1085   1 A'   1084  
11 A' 855 774   -57 A'   831  
12 A' 670 606   -81 A'   687  
13 A' 576 522   -34 A'   556  
14 A' 450 407   -48 A'   455  
15 A' 294 266   -62 A'   328  
16 A" 950 860   -124 A"   984  
17 A" 712 645   -170 A"   815  
18 A" 650 589   -156 A"   745  
19 A" 484 438   -43 A"   481  
20 A" 316 286   -29 A"   315  
21 A" 59 53   -109 A"   162  
The calculated vibrational frequencies were scaled by 0.9055

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.