##TITLE=  ethanolamine
##JCAMP-DX=4.24
##DATA TYPE=LINK
##BLOCKS =2
##ORIGIN= Department of Chemistry, UWI, JAMAICA
##OWNER= public domain
##LONGDATE= 2011/04/21 09:47:11.0754 -0500 $$ export date from JSpecView
##TITLE= ethanolamine
##JCAMP-DX= 5.01
##DATA TYPE= INFRARED SPECTRUM
##DATA CLASS= XYDATA
##BLOCK ID=1
##ORIGIN= Department of Chemistry, UWI, JAMAICA
##OWNER= public domain
##LONGDATE= 2011/04/21 09:47:11.0754 -0500 $$ export date from JSpecView
##$MODELS=
<Models>
<ModelData id="EA" type="MOL">
ethanolamine
RLDSViewer          3D                             0

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0123   -0.0126   -0.0215 C   0  0  0  0  0  0  0  0  0  1
    1.5413    0.0270   -0.0245 C   0  0  0  0  0  0  0  0  0  2
    2.0118    1.4135   -0.0173 N   0  0  0  0  0  0  0  0  0  3
   -0.4962   -1.3389   -0.0726 O   0  0  0  0  0  0  0  0  0  4
   -0.3634    0.5002   -0.9107 H   0  0  0  0  0  0  0  0  0  5
   -0.3736    0.5344    0.8559 H   0  0  0  0  0  0  0  0  0  6
    1.9136   -0.5862    0.8198 H   0  0  0  0  0  0  0  0  0  7
    1.8951   -0.4575   -0.9408 H   0  0  0  0  0  0  0  0  0  8
    3.0158    1.4440   -0.1721 H   0  0  0  0  0  0  0  0  0  9
    1.8525    1.8323    0.8964 H   0  0  0  0  0  0  0  0  0 10
   -0.2283   -1.7871    0.7404 H   0  0  0  0  0  0  0  0  0 11
  1  4  1  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2  7  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4 11  1  0  0  0
M  END
</ModelData>
<ModelData id="1" type="XYZVIB" baseModel="EA" vibrationScale=".5">
 11
Model[1]: Jmol 12.1.43_dev  2011-02-16 09:29
C     0.01231   -0.01259   -0.02146
C     1.54132    0.02698   -0.02446
N     2.01181    1.41354   -0.01735
O    -0.49623   -1.33890   -0.07258
H    -0.36340    0.50021   -0.91070
H    -0.37364    0.53445    0.85587
H     1.91355   -0.58616    0.81981
H     1.89508   -0.45750   -0.94078
H     3.01578    1.44403   -0.17213
H     1.85253    1.83232    0.89642
H    -0.22835   -1.78711    0.74040
11
Model[2]: PATH=Frequencies;IRIntensity=2.30 km/mol;Frequency=145.98 cm^-1
C     0.01231   -0.01259   -0.02146    0.00357    0.00168   -0.11947
C     1.54132    0.02698   -0.02446    0.00518   -0.00080   -0.11591
N     2.01181    1.41354   -0.01735   -0.00703    0.00058    0.10565
O    -0.49623   -1.33890   -0.07258   -0.00247   -0.00342    0.10449
H    -0.36340    0.50021   -0.91070   -0.01201   -0.13732   -0.19308
H    -0.37364    0.53445    0.85587    0.01811    0.14499   -0.20208
H     1.91355   -0.58616    0.81981   -0.01078   -0.12139   -0.19590
H     1.89508   -0.45750   -0.94078    0.03342    0.13134   -0.17484
H     3.01578    1.44403   -0.17213   -0.01020    0.04204    0.09527
H     1.85253    1.83232    0.89642   -0.00448   -0.15337    0.17628
H    -0.22835   -1.78711    0.74040    0.01864    0.12949    0.17083
11
Model[3]: PATH=Frequencies;IRIntensity=16.85 km/mol;Frequency=239.01 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03429    0.00172   -0.02217
C     1.54132    0.02698   -0.02446   -0.03070    0.02407    0.04332
N     2.01181    1.41354   -0.01735    0.01130    0.01356    0.02542
O    -0.49623   -1.33890   -0.07258    0.02451   -0.02758   -0.01486
H    -0.36340    0.50021   -0.91070    0.00553   -0.04165   -0.06383
H    -0.37364    0.53445    0.85587   -0.10646    0.01860   -0.06840
H     1.91355   -0.58616    0.81981   -0.04645    0.03502    0.05417
H     1.89508   -0.45750   -0.94078   -0.01830    0.00014    0.06206
H     3.01578    1.44403   -0.17213   -0.09150    0.01613   -0.62847
H     1.85253    1.83232    0.89642    0.61176   -0.13873    0.19652
H    -0.22835   -1.78711    0.74040   -0.12678    0.05262    0.07876
11
Model[4]: PATH=Frequencies;IRIntensity=9.89 km/mol;Frequency=278.18 cm^-1
C     0.01231   -0.01259   -0.02146    0.09789   -0.04380    0.01635
C     1.54132    0.02698   -0.02446    0.10192   -0.04430    0.00035
N     2.01181    1.41354   -0.01735   -0.09005    0.02943   -0.00188
O    -0.49623   -1.33890   -0.07258   -0.06548    0.02326   -0.01772
H    -0.36340    0.50021   -0.91070    0.14987    0.02490    0.03414
H    -0.37364    0.53445    0.85587    0.14656   -0.02253    0.02341
H     1.91355   -0.58616    0.81981    0.18054   -0.00768   -0.01430
H     1.89508   -0.45750   -0.94078    0.12688    0.00881   -0.01779
H     3.01578    1.44403   -0.17213   -0.11553    0.20110   -0.13020
H     1.85253    1.83232    0.89642   -0.04241   -0.03453    0.03552
H    -0.22835   -1.78711    0.74040   -0.53461    0.10090    0.17766
11
Model[5]: PATH=Frequencies;IRIntensity=156.03 km/mol;Frequency=329.00 cm^-1
C     0.01231   -0.01259   -0.02146   -0.05038    0.01548    0.03175
C     1.54132    0.02698   -0.02446   -0.05004    0.03386   -0.03118
N     2.01181    1.41354   -0.01735    0.06161   -0.00291   -0.00750
O    -0.49623   -1.33890   -0.07258    0.08134   -0.04226   -0.02469
H    -0.36340    0.50021   -0.91070   -0.11764    0.03419    0.06941
H    -0.37364    0.53445    0.85587   -0.07119   -0.07009    0.07137
H     1.91355   -0.58616    0.81981   -0.04410   -0.02898   -0.08269
H     1.89508   -0.45750   -0.94078   -0.12926    0.04786   -0.06905
H     3.01578    1.44403   -0.17213    0.09889   -0.12011    0.20120
H     1.85253    1.83232    0.89642   -0.06732    0.04187   -0.04851
H    -0.22835   -1.78711    0.74040   -0.62058    0.21897    0.34751
11
Model[6]: PATH=Frequencies;IRIntensity=4.32 km/mol;Frequency=477.41 cm^-1
C     0.01231   -0.01259   -0.02146    0.02084    0.08352    0.00731
C     1.54132    0.02698   -0.02446   -0.03886   -0.07718    0.00610
N     2.01181    1.41354   -0.01735   -0.11455   -0.09807   -0.00109
O    -0.49623   -1.33890   -0.07258    0.12980    0.07816   -0.00790
H    -0.36340    0.50021   -0.91070    0.05418    0.10195    0.00366
H    -0.37364    0.53445    0.85587    0.02776    0.09037    0.00854
H     1.91355   -0.58616    0.81981   -0.06784   -0.09729    0.00722
H     1.89508   -0.45750   -0.94078   -0.09093   -0.10400    0.00094
H     3.01578    1.44403   -0.17213   -0.13570    0.02892   -0.09712
H     1.85253    1.83232    0.89642   -0.09704   -0.11518    0.00779
H    -0.22835   -1.78711    0.74040    0.05570    0.14199    0.04975
11
Model[7]: PATH=Frequencies;IRIntensity=18.22 km/mol;Frequency=805.26 cm^-1
C     0.01231   -0.01259   -0.02146   -0.01183    0.00334    0.04866
C     1.54132    0.02698   -0.02446    0.01357    0.00996    0.05701
N     2.01181    1.41354   -0.01735    0.01331   -0.03203    0.00538
O    -0.49623   -1.33890   -0.07258   -0.00281   -0.00029   -0.01064
H    -0.36340    0.50021   -0.91070    0.30587   -0.16807   -0.18570
H    -0.37364    0.53445    0.85587   -0.33844    0.16551   -0.19960
H     1.91355   -0.58616    0.81981    0.31768   -0.23636   -0.25559
H     1.89508   -0.45750   -0.94078   -0.33227    0.25199   -0.20812
H     3.01578    1.44403   -0.17213   -0.01833    0.09691   -0.11765
H     1.85253    1.83232    0.89642   -0.08962    0.24982   -0.15103
H    -0.22835   -1.78711    0.74040   -0.00605   -0.06854   -0.04650
11
Model[8]: PATH=Frequencies;IRIntensity=155.51 km/mol;Frequency=852.19 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03529    0.01705   -0.03882
C     1.54132    0.02698   -0.02446    0.03488    0.02910   -0.00820
N     2.01181    1.41354   -0.01735    0.03706   -0.08110    0.05672
O    -0.49623   -1.33890   -0.07258   -0.00878   -0.01860    0.00491
H    -0.36340    0.50021   -0.91070   -0.23095    0.11029    0.09893
H    -0.37364    0.53445    0.85587    0.11858   -0.11341    0.11300
H     1.91355   -0.58616    0.81981   -0.16480   -0.08365    0.01366
H     1.89508   -0.45750   -0.94078    0.16951    0.06410    0.02485
H     3.01578    1.44403   -0.17213   -0.06892    0.40454   -0.35348
H     1.85253    1.83232    0.89642   -0.21605    0.42080   -0.24725
H    -0.22835   -1.78711    0.74040    0.02190    0.07002    0.04403
11
Model[9]: PATH=Frequencies;IRIntensity=1.91 km/mol;Frequency=975.33 cm^-1
C     0.01231   -0.01259   -0.02146    0.12438   -0.07783   -0.03025
C     1.54132    0.02698   -0.02446   -0.10858    0.07821    0.01848
N     2.01181    1.41354   -0.01735   -0.03032   -0.03886    0.01435
O    -0.49623   -1.33890   -0.07258   -0.00039    0.03647    0.01039
H    -0.36340    0.50021   -0.91070    0.06100   -0.01454    0.03346
H    -0.37364    0.53445    0.85587    0.23948   -0.07512    0.02351
H     1.91355   -0.58616    0.81981   -0.11400   -0.04778   -0.06295
H     1.89508   -0.45750   -0.94078    0.03069    0.26973   -0.03171
H     3.01578    1.44403   -0.17213   -0.03360   -0.41268   -0.04841
H     1.85253    1.83232    0.89642    0.10480    0.28687   -0.11522
H    -0.22835   -1.78711    0.74040   -0.04898   -0.04987   -0.02267
11
Model[10]: PATH=Frequencies;IRIntensity=52.65 km/mol;Frequency=1059.36 cm^-1
C     0.01231   -0.01259   -0.02146   -0.00628   -0.07987    0.06790
C     1.54132    0.02698   -0.02446   -0.01245    0.06435   -0.07101
N     2.01181    1.41354   -0.01735    0.02036   -0.04627    0.02000
O    -0.49623   -1.33890   -0.07258    0.03269    0.07947   -0.00032
H    -0.36340    0.50021   -0.91070   -0.07224   -0.38473   -0.08527
H    -0.37364    0.53445    0.85587   -0.06927    0.18011   -0.11429
H     1.91355   -0.58616    0.81981   -0.13054    0.21632    0.10117
H     1.89508   -0.45750   -0.94078    0.05182   -0.17093    0.07960
H     3.01578    1.44403   -0.17213   -0.01092    0.18483   -0.06765
H     1.85253    1.83232    0.89642   -0.11835   -0.10375    0.01092
H    -0.22835   -1.78711    0.74040   -0.22932   -0.35545   -0.16022
11
Model[11]: PATH=Frequencies;IRIntensity=68.76 km/mol;Frequency=1082.10 cm^-1
C     0.01231   -0.01259   -0.02146   -0.06090   -0.11681   -0.02176
C     1.54132    0.02698   -0.02446   -0.03167   -0.13838    0.01888
N     2.01181    1.41354   -0.01735    0.03262    0.10884    0.00260
O    -0.49623   -1.33890   -0.07258    0.04233    0.10232    0.00740
H    -0.36340    0.50021   -0.91070   -0.09992   -0.06748    0.02099
H    -0.37364    0.53445    0.85587    0.01639   -0.11374    0.01992
H     1.91355   -0.58616    0.81981   -0.05821   -0.24610   -0.05192
H     1.89508   -0.45750   -0.94078    0.01476   -0.00974   -0.03335
H     3.01578    1.44403   -0.17213    0.03610    0.07724   -0.01555
H     1.85253    1.83232    0.89642    0.06460    0.22111   -0.03898
H    -0.22835   -1.78711    0.74040    0.00331    0.04090   -0.02053
11
Model[12]: PATH=Frequencies;IRIntensity=5.53 km/mol;Frequency=1103.62 cm^-1
C     0.01231   -0.01259   -0.02146   -0.10538   -0.08103   -0.02750
C     1.54132    0.02698   -0.02446    0.09929    0.07406    0.03073
N     2.01181    1.41354   -0.01735   -0.03737   -0.07348   -0.02003
O    -0.49623   -1.33890   -0.07258    0.01792    0.07130    0.00330
H    -0.36340    0.50021   -0.91070   -0.14100    0.03094    0.04609
H    -0.37364    0.53445    0.85587   -0.16641   -0.20453    0.03438
H     1.91355   -0.58616    0.81981    0.29695    0.09924   -0.02821
H     1.89508   -0.45750   -0.94078    0.20372    0.20552   -0.00386
H     3.01578    1.44403   -0.17213   -0.01465   -0.21694    0.06907
H     1.85253    1.83232    0.89642    0.04968   -0.13167    0.02608
H    -0.22835   -1.78711    0.74040    0.07903    0.18974    0.04388
11
Model[13]: PATH=Frequencies;IRIntensity=6.12 km/mol;Frequency=1168.97 cm^-1
C     0.01231   -0.01259   -0.02146    0.04998   -0.08553   -0.03131
C     1.54132    0.02698   -0.02446   -0.06171    0.04593   -0.01161
N     2.01181    1.41354   -0.01735    0.03971   -0.01121    0.01292
O    -0.49623   -1.33890   -0.07258   -0.01445    0.02672    0.00726
H    -0.36340    0.50021   -0.91070    0.26550    0.19319    0.03661
H    -0.37364    0.53445    0.85587   -0.14045   -0.34383    0.03978
H     1.91355   -0.58616    0.81981    0.06666    0.19666    0.03650
H     1.89508   -0.45750   -0.94078   -0.39112   -0.25097    0.01731
H     3.01578    1.44403   -0.17213    0.01113    0.27926   -0.05254
H     1.85253    1.83232    0.89642   -0.14172   -0.15754    0.03950
H    -0.22835   -1.78711    0.74040    0.14723    0.28633    0.09909
11
Model[14]: PATH=Frequencies;IRIntensity=3.02 km/mol;Frequency=1273.64 cm^-1
C     0.01231   -0.01259   -0.02146   -0.04070   -0.01041    0.07787
C     1.54132    0.02698   -0.02446   -0.02756   -0.04602   -0.11045
N     2.01181    1.41354   -0.01735   -0.00375    0.00807    0.05180
O    -0.49623   -1.33890   -0.07258   -0.00099   -0.01170   -0.01851
H    -0.36340    0.50021   -0.91070    0.39890    0.10424   -0.04243
H    -0.37364    0.53445    0.85587   -0.12204    0.10958   -0.03823
H     1.91355   -0.58616    0.81981    0.11572    0.29622    0.07302
H     1.89508   -0.45750   -0.94078    0.35470   -0.08991    0.05593
H     3.01578    1.44403   -0.17213   -0.02448   -0.21277   -0.07528
H     1.85253    1.83232    0.89642    0.03810    0.30983   -0.09040
H    -0.22835   -1.78711    0.74040    0.11965    0.22824    0.07932
11
Model[15]: PATH=Frequencies;IRIntensity=9.05 km/mol;Frequency=1330.47 cm^-1
C     0.01231   -0.01259   -0.02146    0.01618   -0.00683    0.04602
C     1.54132    0.02698   -0.02446    0.00591    0.02610   -0.01275
N     2.01181    1.41354   -0.01735    0.00284   -0.00064   -0.04485
O    -0.49623   -1.33890   -0.07258   -0.00497    0.00316    0.01062
H    -0.36340    0.50021   -0.91070    0.31192    0.10693   -0.01344
H    -0.37364    0.53445    0.85587   -0.36228   -0.19410   -0.01150
H     1.91355   -0.58616    0.81981   -0.53435   -0.34868   -0.02531
H     1.89508   -0.45750   -0.94078    0.34612    0.23759    0.01126
H     3.01578    1.44403   -0.17213    0.01829    0.12485    0.04163
H     1.85253    1.83232    0.89642   -0.01449   -0.19974    0.04958
H    -0.22835   -1.78711    0.74040    0.01120    0.00246    0.00629
11
Model[16]: PATH=Frequencies;IRIntensity=1.42 km/mol;Frequency=1382.22 cm^-1
C     0.01231   -0.01259   -0.02146   -0.05138   -0.05694    0.02962
C     1.54132    0.02698   -0.02446   -0.07088    0.01613    0.04655
N     2.01181    1.41354   -0.01735    0.03534   -0.01516   -0.03705
O    -0.49623   -1.33890   -0.07258    0.00004   -0.01286   -0.03187
H    -0.36340    0.50021   -0.91070    0.16300    0.00036   -0.01885
H    -0.37364    0.53445    0.85587    0.49246    0.40045    0.00186
H     1.91355   -0.58616    0.81981    0.07821   -0.01944   -0.03734
H     1.89508   -0.45750   -0.94078    0.16679    0.27043    0.01011
H     3.01578    1.44403   -0.17213    0.03667    0.27863    0.02872
H     1.85253    1.83232    0.89642   -0.08396   -0.25766    0.05826
H    -0.22835   -1.78711    0.74040    0.11096    0.22788    0.07103
11
Model[17]: PATH=Frequencies;IRIntensity=57.58 km/mol;Frequency=1397.76 cm^-1
C     0.01231   -0.01259   -0.02146   -0.05311    0.01724   -0.07258
C     1.54132    0.02698   -0.02446   -0.04527   -0.02440    0.00880
N     2.01181    1.41354   -0.01735    0.01745   -0.00716   -0.00281
O    -0.49623   -1.33890   -0.07258    0.03249    0.00276    0.05723
H    -0.36340    0.50021   -0.91070    0.29039    0.44814    0.01810
H    -0.37364    0.53445    0.85587    0.04803   -0.10076    0.03842
H     1.91355   -0.58616    0.81981    0.23153    0.15441   -0.00334
H     1.89508   -0.45750   -0.94078    0.12542    0.13003   -0.00962
H     3.01578    1.44403   -0.17213    0.01221    0.08623   -0.00588
H     1.85253    1.83232    0.89642   -0.03753   -0.05291    0.00763
H    -0.22835   -1.78711    0.74040   -0.25668   -0.52406   -0.15504
11
Model[18]: PATH=Frequencies;IRIntensity=0.61 km/mol;Frequency=1447.59 cm^-1
C     0.01231   -0.01259   -0.02146   -0.09028   -0.05024   -0.00581
C     1.54132    0.02698   -0.02446    0.11158    0.06092   -0.01403
N     2.01181    1.41354   -0.01735   -0.03002    0.00473    0.01110
O    -0.49623   -1.33890   -0.07258    0.01100   -0.00271    0.00580
H    -0.36340    0.50021   -0.91070    0.33006    0.20271   -0.04081
H    -0.37364    0.53445    0.85587    0.31018    0.16864    0.04124
H     1.91355   -0.58616    0.81981   -0.33853   -0.16703    0.03252
H     1.89508   -0.45750   -0.94078   -0.34700   -0.23878   -0.03547
H     3.01578    1.44403   -0.17213   -0.01899   -0.16597    0.02702
H     1.85253    1.83232    0.89642    0.07891    0.11229   -0.01743
H    -0.22835   -1.78711    0.74040   -0.02562   -0.06189   -0.01731
11
Model[19]: PATH=Frequencies;IRIntensity=0.07 km/mol;Frequency=1516.95 cm^-1
C     0.01231   -0.01259   -0.02146    0.02911   -0.04623   -0.00163
C     1.54132    0.02698   -0.02446   -0.02256    0.04919    0.00350
N     2.01181    1.41354   -0.01735   -0.00030    0.00849    0.00125
O    -0.49623   -1.33890   -0.07258    0.00043   -0.00688    0.00085
H    -0.36340    0.50021   -0.91070   -0.18254    0.35499    0.30216
H    -0.37364    0.53445    0.85587   -0.17935    0.32567   -0.29895
H     1.91355   -0.58616    0.81981    0.16182   -0.30656   -0.30296
H     1.89508   -0.45750   -0.94078    0.15810   -0.35779    0.27097
H     3.01578    1.44403   -0.17213   -0.00519   -0.03625   -0.02155
H     1.85253    1.83232    0.89642   -0.03284   -0.00747    0.00133
H    -0.22835   -1.78711    0.74040   -0.00077   -0.01651   -0.00407
11
Model[20]: PATH=Frequencies;IRIntensity=1.22 km/mol;Frequency=1532.07 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03022    0.05063   -0.00295
C     1.54132    0.02698   -0.02446   -0.03169    0.04902    0.00377
N     2.01181    1.41354   -0.01735   -0.00167    0.00435    0.00055
O    -0.49623   -1.33890   -0.07258   -0.00043    0.00337    0.00170
H    -0.36340    0.50021   -0.91070    0.19279   -0.30791   -0.29018
H    -0.37364    0.53445    0.85587    0.19677   -0.30402    0.29440
H     1.91355   -0.58616    0.81981    0.21721   -0.28971   -0.32035
H     1.89508   -0.45750   -0.94078    0.20094   -0.34373    0.28507
H     3.01578    1.44403   -0.17213   -0.00439   -0.02186   -0.01108
H     1.85253    1.83232    0.89642   -0.02049   -0.01247    0.00480
H    -0.22835   -1.78711    0.74040   -0.01576   -0.02069   -0.00703
11
Model[21]: PATH=Frequencies;IRIntensity=26.45 km/mol;Frequency=1669.27 cm^-1
C     0.01231   -0.01259   -0.02146    0.00714   -0.00252    0.00086
C     1.54132    0.02698   -0.02446   -0.01590    0.01042   -0.01605
N     2.01181    1.41354   -0.01735   -0.04077   -0.05673   -0.02041
O    -0.49623   -1.33890   -0.07258   -0.00166    0.00007    0.00059
H    -0.36340    0.50021   -0.91070    0.00160    0.00575    0.00729
H    -0.37364    0.53445    0.85587   -0.01553   -0.00701   -0.01594
H     1.91355   -0.58616    0.81981    0.03252    0.02988   -0.03099
H     1.89508   -0.45750   -0.94078    0.00594   -0.05546    0.02672
H     3.01578    1.44403   -0.17213    0.05265    0.44274    0.49411
H     1.85253    1.83232    0.89642    0.61859    0.27729   -0.02585
H    -0.22835   -1.78711    0.74040    0.00132   -0.00016   -0.00027
11
Model[22]: PATH=Frequencies;IRIntensity=101.34 km/mol;Frequency=2917.07 cm^-1
C     0.01231   -0.01259   -0.02146   -0.00005    0.00262    0.00504
C     1.54132    0.02698   -0.02446   -0.03033    0.04224   -0.05331
N     2.01181    1.41354   -0.01735    0.00055    0.00229    0.00030
O    -0.49623   -1.33890   -0.07258   -0.00012   -0.00060    0.00017
H    -0.36340    0.50021   -0.91070   -0.01160    0.01832   -0.02612
H    -0.37364    0.53445    0.85587    0.02157   -0.03294   -0.04991
H     1.91355   -0.58616    0.81981    0.32682   -0.50288    0.74082
H     1.89508   -0.45750   -0.94078    0.01969   -0.03278   -0.10164
H     3.01578    1.44403   -0.17213   -0.00424    0.00296    0.00571
H     1.85253    1.83232    0.89642    0.00904   -0.00356   -0.00380
H    -0.22835   -1.78711    0.74040   -0.00543   -0.00547    0.00286
11
Model[23]: PATH=Frequencies;IRIntensity=63.65 km/mol;Frequency=2972.50 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03316    0.04042    0.05219
C     1.54132    0.02698   -0.02446    0.00445   -0.00414   -0.00109
N     2.01181    1.41354   -0.01735   -0.00021   -0.00039   -0.00014
O    -0.49623   -1.33890   -0.07258    0.00074    0.00197   -0.00027
H    -0.36340    0.50021   -0.91070    0.04103   -0.06378    0.13971
H    -0.37364    0.53445    0.85587    0.33390   -0.44809   -0.76200
H     1.91355   -0.58616    0.81981   -0.01726    0.02387   -0.04065
H     1.89508   -0.45750   -0.94078   -0.02239    0.03400    0.06535
H     3.01578    1.44403   -0.17213    0.00070   -0.00397   -0.00278
H     1.85253    1.83232    0.89642   -0.00665   -0.00199    0.00012
H    -0.22835   -1.78711    0.74040    0.00362    0.00202   -0.00197
11
Model[24]: PATH=Frequencies;IRIntensity=24.45 km/mol;Frequency=3082.68 cm^-1
C     0.01231   -0.01259   -0.02146    0.00684   -0.00969    0.01113
C     1.54132    0.02698   -0.02446    0.02267   -0.03019   -0.07012
N     2.01181    1.41354   -0.01735   -0.00083    0.00083    0.00174
O    -0.49623   -1.33890   -0.07258   -0.00015    0.00020   -0.00002
H    -0.36340    0.50021   -0.91070   -0.06937    0.09744   -0.17095
H    -0.37364    0.53445    0.85587   -0.01425    0.01668    0.03364
H     1.91355   -0.58616    0.81981    0.03448   -0.04702    0.05056
H     1.89508   -0.45750   -0.94078   -0.29769    0.40230    0.78198
H     3.01578    1.44403   -0.17213    0.00399   -0.00376   -0.00006
H     1.85253    1.83232    0.89642    0.00431   -0.00389   -0.01923
H    -0.22835   -1.78711    0.74040    0.00097   -0.00162    0.00270
11
Model[25]: PATH=Frequencies;IRIntensity=30.81 km/mol;Frequency=3115.33 cm^-1
C     0.01231   -0.01259   -0.02146   -0.02259    0.02934   -0.07331
C     1.54132    0.02698   -0.02446    0.00392   -0.00427   -0.01801
N     2.01181    1.41354   -0.01735   -0.00033    0.00008    0.00069
O    -0.49623   -1.33890   -0.07258    0.00091    0.00008    0.00172
H    -0.36340    0.50021   -0.91070    0.31652   -0.42118    0.75396
H    -0.37364    0.53445    0.85587   -0.05998    0.07148    0.10908
H     1.91355   -0.58616    0.81981    0.02432   -0.03099    0.04407
H     1.89508   -0.45750   -0.94078   -0.06354    0.08171    0.16251
H     3.01578    1.44403   -0.17213    0.00199   -0.00193    0.00077
H     1.85253    1.83232    0.89642    0.00241    0.00005   -0.00493
H    -0.22835   -1.78711    0.74040   -0.00932   -0.00008   -0.01499
11
Model[26]: PATH=Frequencies;IRIntensity=0.52 km/mol;Frequency=3493.53 cm^-1
C     0.01231   -0.01259   -0.02146    0.00040   -0.00026   -0.00007
C     1.54132    0.02698   -0.02446   -0.00049    0.00196   -0.00300
N     2.01181    1.41354   -0.01735   -0.03084   -0.02638   -0.03800
O    -0.49623   -1.33890   -0.07258   -0.00008    0.00002    0.00002
H    -0.36340    0.50021   -0.91070    0.00021    0.00051   -0.00044
H    -0.37364    0.53445    0.85587   -0.00156    0.00037    0.00102
H     1.91355   -0.58616    0.81981    0.00411   -0.00032    0.00860
H     1.89508   -0.45750   -0.94078   -0.00367    0.00332    0.01102
H     3.01578    1.44403   -0.17213    0.58651    0.01736   -0.13247
H     1.85253    1.83232    0.89642   -0.15467    0.32495    0.67641
H    -0.22835   -1.78711    0.74040   -0.00006   -0.00017    0.00010
11
Model[27]: PATH=Frequencies;IRIntensity=0.10 km/mol;Frequency=3579.54 cm^-1
C     0.01231   -0.01259   -0.02146    0.00034   -0.00010    0.00007
C     1.54132    0.02698   -0.02446   -0.00101    0.00109    0.00132
N     2.01181    1.41354   -0.01735   -0.05961    0.01507    0.04648
O    -0.49623   -1.33890   -0.07258   -0.00003    0.00000   -0.00006
H    -0.36340    0.50021   -0.91070   -0.00029    0.00064   -0.00082
H    -0.37364    0.53445    0.85587    0.00189    0.00015   -0.00050
H     1.91355   -0.58616    0.81981    0.00028    0.00115   -0.00192
H     1.89508   -0.45750   -0.94078    0.00551   -0.00681   -0.01308
H     3.01578    1.44403   -0.17213    0.74322    0.02435   -0.11942
H     1.85253    1.83232    0.89642    0.08602   -0.24045   -0.52626
H    -0.22835   -1.78711    0.74040    0.00007   -0.00019    0.00063
11
Model[28]: PATH=Frequencies;IRIntensity=12.05 km/mol;Frequency=3809.19 cm^-1
C     0.01231   -0.01259   -0.02146   -0.00156   -0.00019   -0.00256
C     1.54132    0.02698   -0.02446    0.00022   -0.00048    0.00024
N     2.01181    1.41354   -0.01735   -0.00009   -0.00004    0.00000
O    -0.49623   -1.33890   -0.07258   -0.01555    0.02973   -0.05020
H    -0.36340    0.50021   -0.91070    0.00543   -0.00361    0.01355
H    -0.37364    0.53445    0.85587   -0.00131   -0.00284    0.00216
H     1.91355   -0.58616    0.81981    0.00137    0.00174   -0.00193
H     1.89508   -0.45750   -0.94078   -0.00020    0.00028    0.00007
H     3.01578    1.44403   -0.17213   -0.00068   -0.00048    0.00002
H     1.85253    1.83232    0.89642    0.00001    0.00023    0.00025
H    -0.22835   -1.78711    0.74040    0.25938   -0.45849    0.81026
</ModelData>
</Models>
##$PEAKS=
<Peaks type="IR" xUnitsExpected="1/cm"  >
<PeakData id="1" title="OH stretch (~3400 cm-1)" peakShape="broad" model="1.28" xMax="3375" xMin="3335"    />
<PeakData id="2" title="asymm stretch of NH2 group (~3290 cm-1)" peakShape="broad" model="1.27" xMax="3310" xMin="3270"    />
<PeakData id="3" title="symm stretch of NH2 group (~3170 cm-1)" peakShape="broad" model="1.26" xMax="3220" xMin="3120"    />
<PeakData id="4" title="asymm stretch of CH2 group (~2925 cm-1)" peakShape="broad" model="1.25" xMax="2955" xMin="2895"    />
<PeakData id="5" title="symm bend of CH2 group (~2858 cm-1)" peakShape="broad" model="1.24" xMax="2888" xMin="2828"    />
<PeakData id="6" title="Carbonyl stretching band (~1685 cm-1)" peakShape="broad" model="1.21" xMax="1635" xMin="1575"    />
<PeakData id="7" title="C-C of aromatic group (~1600 cm-1)" peakShape="broad" model="1.20" xMax="1490" xMin="1430"    />
<PeakData id="8" title="symm stretch of CH3 group (~1450 cm-1)" peakShape="broad" model="1.19" xMax="1395" xMin="1335"    />
<PeakData id="9" title="C-H twist of methyl group (~1360 cm-1)" peakShape="broad" model="1.16" xMax="1260" xMin="1220"    />
<PeakData id="10" title="scissors of aromatic C-H groups (~1265 cm-1" peakShape="broad" model="1.13" xMax="1192" xMin="1152"    />
<PeakData id="11" title="symm stretch of CH3 group (~1080 cm-1)" peakShape="broad" model="1.12" xMax="1095" xMin="1065"    />
<PeakData id="12" title="symm stretch of CH group (~1025 cm-1)" peakShape="broad" model="1.10" xMax="1050" xMin="1015"    />
<PeakData id="13" title=" (~955 cm-1" peakShape="broad" model="1.9" xMax="960" xMin="920"    />
<PeakData id="14" title=" (~760 cm-1)" peakShape="broad" model="1.6" xMax="892" xMin="852"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= TRANSMITTANCE
##XFACTOR= 3.39838861E-3
##YFACTOR= 8.76278995E-7
##FIRSTX= 599.8394
##FIRSTY= 0.42957044
##LASTX= 3998.22801094
##NPOINTS= 3525
##XYDATA= (X++(Y..Y))
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##END= $$ END of IR
##TITLE= ethanolamine
##JCAMP-DX= 5.01
##DATA TYPE= RAMAN SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Department of Chemistry, UWI, Jamaica
##OWNER= public domain
##LONGDATE= 2012/03/09 13:08:48.0525 -0500 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= scan
##$MODELS=
<Models>
<ModelData id="EAR" type="MOL">
ethanolamine
RLDSViewer          3D                             0

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    0.0123   -0.0126   -0.0215 C   0  0  0  0  0  0  0  0  0  1
    1.5413    0.0270   -0.0245 C   0  0  0  0  0  0  0  0  0  2
    2.0118    1.4135   -0.0173 N   0  0  0  0  0  0  0  0  0  3
   -0.4962   -1.3389   -0.0726 O   0  0  0  0  0  0  0  0  0  4
   -0.3634    0.5002   -0.9107 H   0  0  0  0  0  0  0  0  0  5
   -0.3736    0.5344    0.8559 H   0  0  0  0  0  0  0  0  0  6
    1.9136   -0.5862    0.8198 H   0  0  0  0  0  0  0  0  0  7
    1.8951   -0.4575   -0.9408 H   0  0  0  0  0  0  0  0  0  8
    3.0158    1.4440   -0.1721 H   0  0  0  0  0  0  0  0  0  9
    1.8525    1.8323    0.8964 H   0  0  0  0  0  0  0  0  0 10
   -0.2283   -1.7871    0.7404 H   0  0  0  0  0  0  0  0  0 11
  1  4  1  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2  7  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4 11  1  0  0  0
M  END
</ModelData>
<ModelData id="2" type="XYZVIB" baseModel="EAR" vibrationScale=".5">
 11
Model[1]: Jmol 12.1.43_dev  2011-02-16 09:29
C     0.01231   -0.01259   -0.02146
C     1.54132    0.02698   -0.02446
N     2.01181    1.41354   -0.01735
O    -0.49623   -1.33890   -0.07258
H    -0.36340    0.50021   -0.91070
H    -0.37364    0.53445    0.85587
H     1.91355   -0.58616    0.81981
H     1.89508   -0.45750   -0.94078
H     3.01578    1.44403   -0.17213
H     1.85253    1.83232    0.89642
H    -0.22835   -1.78711    0.74040
11
Model[2]: PATH=Frequencies;IRIntensity=2.30 km/mol;Frequency=145.98 cm^-1
C     0.01231   -0.01259   -0.02146    0.00357    0.00168   -0.11947
C     1.54132    0.02698   -0.02446    0.00518   -0.00080   -0.11591
N     2.01181    1.41354   -0.01735   -0.00703    0.00058    0.10565
O    -0.49623   -1.33890   -0.07258   -0.00247   -0.00342    0.10449
H    -0.36340    0.50021   -0.91070   -0.01201   -0.13732   -0.19308
H    -0.37364    0.53445    0.85587    0.01811    0.14499   -0.20208
H     1.91355   -0.58616    0.81981   -0.01078   -0.12139   -0.19590
H     1.89508   -0.45750   -0.94078    0.03342    0.13134   -0.17484
H     3.01578    1.44403   -0.17213   -0.01020    0.04204    0.09527
H     1.85253    1.83232    0.89642   -0.00448   -0.15337    0.17628
H    -0.22835   -1.78711    0.74040    0.01864    0.12949    0.17083
11
Model[3]: PATH=Frequencies;IRIntensity=16.85 km/mol;Frequency=239.01 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03429    0.00172   -0.02217
C     1.54132    0.02698   -0.02446   -0.03070    0.02407    0.04332
N     2.01181    1.41354   -0.01735    0.01130    0.01356    0.02542
O    -0.49623   -1.33890   -0.07258    0.02451   -0.02758   -0.01486
H    -0.36340    0.50021   -0.91070    0.00553   -0.04165   -0.06383
H    -0.37364    0.53445    0.85587   -0.10646    0.01860   -0.06840
H     1.91355   -0.58616    0.81981   -0.04645    0.03502    0.05417
H     1.89508   -0.45750   -0.94078   -0.01830    0.00014    0.06206
H     3.01578    1.44403   -0.17213   -0.09150    0.01613   -0.62847
H     1.85253    1.83232    0.89642    0.61176   -0.13873    0.19652
H    -0.22835   -1.78711    0.74040   -0.12678    0.05262    0.07876
11
Model[4]: PATH=Frequencies;IRIntensity=9.89 km/mol;Frequency=278.18 cm^-1
C     0.01231   -0.01259   -0.02146    0.09789   -0.04380    0.01635
C     1.54132    0.02698   -0.02446    0.10192   -0.04430    0.00035
N     2.01181    1.41354   -0.01735   -0.09005    0.02943   -0.00188
O    -0.49623   -1.33890   -0.07258   -0.06548    0.02326   -0.01772
H    -0.36340    0.50021   -0.91070    0.14987    0.02490    0.03414
H    -0.37364    0.53445    0.85587    0.14656   -0.02253    0.02341
H     1.91355   -0.58616    0.81981    0.18054   -0.00768   -0.01430
H     1.89508   -0.45750   -0.94078    0.12688    0.00881   -0.01779
H     3.01578    1.44403   -0.17213   -0.11553    0.20110   -0.13020
H     1.85253    1.83232    0.89642   -0.04241   -0.03453    0.03552
H    -0.22835   -1.78711    0.74040   -0.53461    0.10090    0.17766
11
Model[5]: PATH=Frequencies;IRIntensity=156.03 km/mol;Frequency=329.00 cm^-1
C     0.01231   -0.01259   -0.02146   -0.05038    0.01548    0.03175
C     1.54132    0.02698   -0.02446   -0.05004    0.03386   -0.03118
N     2.01181    1.41354   -0.01735    0.06161   -0.00291   -0.00750
O    -0.49623   -1.33890   -0.07258    0.08134   -0.04226   -0.02469
H    -0.36340    0.50021   -0.91070   -0.11764    0.03419    0.06941
H    -0.37364    0.53445    0.85587   -0.07119   -0.07009    0.07137
H     1.91355   -0.58616    0.81981   -0.04410   -0.02898   -0.08269
H     1.89508   -0.45750   -0.94078   -0.12926    0.04786   -0.06905
H     3.01578    1.44403   -0.17213    0.09889   -0.12011    0.20120
H     1.85253    1.83232    0.89642   -0.06732    0.04187   -0.04851
H    -0.22835   -1.78711    0.74040   -0.62058    0.21897    0.34751
11
Model[6]: PATH=Frequencies;IRIntensity=4.32 km/mol;Frequency=477.41 cm^-1
C     0.01231   -0.01259   -0.02146    0.02084    0.08352    0.00731
C     1.54132    0.02698   -0.02446   -0.03886   -0.07718    0.00610
N     2.01181    1.41354   -0.01735   -0.11455   -0.09807   -0.00109
O    -0.49623   -1.33890   -0.07258    0.12980    0.07816   -0.00790
H    -0.36340    0.50021   -0.91070    0.05418    0.10195    0.00366
H    -0.37364    0.53445    0.85587    0.02776    0.09037    0.00854
H     1.91355   -0.58616    0.81981   -0.06784   -0.09729    0.00722
H     1.89508   -0.45750   -0.94078   -0.09093   -0.10400    0.00094
H     3.01578    1.44403   -0.17213   -0.13570    0.02892   -0.09712
H     1.85253    1.83232    0.89642   -0.09704   -0.11518    0.00779
H    -0.22835   -1.78711    0.74040    0.05570    0.14199    0.04975
11
Model[7]: PATH=Frequencies;IRIntensity=18.22 km/mol;Frequency=805.26 cm^-1
C     0.01231   -0.01259   -0.02146   -0.01183    0.00334    0.04866
C     1.54132    0.02698   -0.02446    0.01357    0.00996    0.05701
N     2.01181    1.41354   -0.01735    0.01331   -0.03203    0.00538
O    -0.49623   -1.33890   -0.07258   -0.00281   -0.00029   -0.01064
H    -0.36340    0.50021   -0.91070    0.30587   -0.16807   -0.18570
H    -0.37364    0.53445    0.85587   -0.33844    0.16551   -0.19960
H     1.91355   -0.58616    0.81981    0.31768   -0.23636   -0.25559
H     1.89508   -0.45750   -0.94078   -0.33227    0.25199   -0.20812
H     3.01578    1.44403   -0.17213   -0.01833    0.09691   -0.11765
H     1.85253    1.83232    0.89642   -0.08962    0.24982   -0.15103
H    -0.22835   -1.78711    0.74040   -0.00605   -0.06854   -0.04650
11
Model[8]: PATH=Frequencies;IRIntensity=155.51 km/mol;Frequency=852.19 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03529    0.01705   -0.03882
C     1.54132    0.02698   -0.02446    0.03488    0.02910   -0.00820
N     2.01181    1.41354   -0.01735    0.03706   -0.08110    0.05672
O    -0.49623   -1.33890   -0.07258   -0.00878   -0.01860    0.00491
H    -0.36340    0.50021   -0.91070   -0.23095    0.11029    0.09893
H    -0.37364    0.53445    0.85587    0.11858   -0.11341    0.11300
H     1.91355   -0.58616    0.81981   -0.16480   -0.08365    0.01366
H     1.89508   -0.45750   -0.94078    0.16951    0.06410    0.02485
H     3.01578    1.44403   -0.17213   -0.06892    0.40454   -0.35348
H     1.85253    1.83232    0.89642   -0.21605    0.42080   -0.24725
H    -0.22835   -1.78711    0.74040    0.02190    0.07002    0.04403
11
Model[9]: PATH=Frequencies;IRIntensity=1.91 km/mol;Frequency=975.33 cm^-1
C     0.01231   -0.01259   -0.02146    0.12438   -0.07783   -0.03025
C     1.54132    0.02698   -0.02446   -0.10858    0.07821    0.01848
N     2.01181    1.41354   -0.01735   -0.03032   -0.03886    0.01435
O    -0.49623   -1.33890   -0.07258   -0.00039    0.03647    0.01039
H    -0.36340    0.50021   -0.91070    0.06100   -0.01454    0.03346
H    -0.37364    0.53445    0.85587    0.23948   -0.07512    0.02351
H     1.91355   -0.58616    0.81981   -0.11400   -0.04778   -0.06295
H     1.89508   -0.45750   -0.94078    0.03069    0.26973   -0.03171
H     3.01578    1.44403   -0.17213   -0.03360   -0.41268   -0.04841
H     1.85253    1.83232    0.89642    0.10480    0.28687   -0.11522
H    -0.22835   -1.78711    0.74040   -0.04898   -0.04987   -0.02267
11
Model[10]: PATH=Frequencies;IRIntensity=52.65 km/mol;Frequency=1059.36 cm^-1
C     0.01231   -0.01259   -0.02146   -0.00628   -0.07987    0.06790
C     1.54132    0.02698   -0.02446   -0.01245    0.06435   -0.07101
N     2.01181    1.41354   -0.01735    0.02036   -0.04627    0.02000
O    -0.49623   -1.33890   -0.07258    0.03269    0.07947   -0.00032
H    -0.36340    0.50021   -0.91070   -0.07224   -0.38473   -0.08527
H    -0.37364    0.53445    0.85587   -0.06927    0.18011   -0.11429
H     1.91355   -0.58616    0.81981   -0.13054    0.21632    0.10117
H     1.89508   -0.45750   -0.94078    0.05182   -0.17093    0.07960
H     3.01578    1.44403   -0.17213   -0.01092    0.18483   -0.06765
H     1.85253    1.83232    0.89642   -0.11835   -0.10375    0.01092
H    -0.22835   -1.78711    0.74040   -0.22932   -0.35545   -0.16022
11
Model[11]: PATH=Frequencies;IRIntensity=68.76 km/mol;Frequency=1082.10 cm^-1
C     0.01231   -0.01259   -0.02146   -0.06090   -0.11681   -0.02176
C     1.54132    0.02698   -0.02446   -0.03167   -0.13838    0.01888
N     2.01181    1.41354   -0.01735    0.03262    0.10884    0.00260
O    -0.49623   -1.33890   -0.07258    0.04233    0.10232    0.00740
H    -0.36340    0.50021   -0.91070   -0.09992   -0.06748    0.02099
H    -0.37364    0.53445    0.85587    0.01639   -0.11374    0.01992
H     1.91355   -0.58616    0.81981   -0.05821   -0.24610   -0.05192
H     1.89508   -0.45750   -0.94078    0.01476   -0.00974   -0.03335
H     3.01578    1.44403   -0.17213    0.03610    0.07724   -0.01555
H     1.85253    1.83232    0.89642    0.06460    0.22111   -0.03898
H    -0.22835   -1.78711    0.74040    0.00331    0.04090   -0.02053
11
Model[12]: PATH=Frequencies;IRIntensity=5.53 km/mol;Frequency=1103.62 cm^-1
C     0.01231   -0.01259   -0.02146   -0.10538   -0.08103   -0.02750
C     1.54132    0.02698   -0.02446    0.09929    0.07406    0.03073
N     2.01181    1.41354   -0.01735   -0.03737   -0.07348   -0.02003
O    -0.49623   -1.33890   -0.07258    0.01792    0.07130    0.00330
H    -0.36340    0.50021   -0.91070   -0.14100    0.03094    0.04609
H    -0.37364    0.53445    0.85587   -0.16641   -0.20453    0.03438
H     1.91355   -0.58616    0.81981    0.29695    0.09924   -0.02821
H     1.89508   -0.45750   -0.94078    0.20372    0.20552   -0.00386
H     3.01578    1.44403   -0.17213   -0.01465   -0.21694    0.06907
H     1.85253    1.83232    0.89642    0.04968   -0.13167    0.02608
H    -0.22835   -1.78711    0.74040    0.07903    0.18974    0.04388
11
Model[13]: PATH=Frequencies;IRIntensity=6.12 km/mol;Frequency=1168.97 cm^-1
C     0.01231   -0.01259   -0.02146    0.04998   -0.08553   -0.03131
C     1.54132    0.02698   -0.02446   -0.06171    0.04593   -0.01161
N     2.01181    1.41354   -0.01735    0.03971   -0.01121    0.01292
O    -0.49623   -1.33890   -0.07258   -0.01445    0.02672    0.00726
H    -0.36340    0.50021   -0.91070    0.26550    0.19319    0.03661
H    -0.37364    0.53445    0.85587   -0.14045   -0.34383    0.03978
H     1.91355   -0.58616    0.81981    0.06666    0.19666    0.03650
H     1.89508   -0.45750   -0.94078   -0.39112   -0.25097    0.01731
H     3.01578    1.44403   -0.17213    0.01113    0.27926   -0.05254
H     1.85253    1.83232    0.89642   -0.14172   -0.15754    0.03950
H    -0.22835   -1.78711    0.74040    0.14723    0.28633    0.09909
11
Model[14]: PATH=Frequencies;IRIntensity=3.02 km/mol;Frequency=1273.64 cm^-1
C     0.01231   -0.01259   -0.02146   -0.04070   -0.01041    0.07787
C     1.54132    0.02698   -0.02446   -0.02756   -0.04602   -0.11045
N     2.01181    1.41354   -0.01735   -0.00375    0.00807    0.05180
O    -0.49623   -1.33890   -0.07258   -0.00099   -0.01170   -0.01851
H    -0.36340    0.50021   -0.91070    0.39890    0.10424   -0.04243
H    -0.37364    0.53445    0.85587   -0.12204    0.10958   -0.03823
H     1.91355   -0.58616    0.81981    0.11572    0.29622    0.07302
H     1.89508   -0.45750   -0.94078    0.35470   -0.08991    0.05593
H     3.01578    1.44403   -0.17213   -0.02448   -0.21277   -0.07528
H     1.85253    1.83232    0.89642    0.03810    0.30983   -0.09040
H    -0.22835   -1.78711    0.74040    0.11965    0.22824    0.07932
11
Model[15]: PATH=Frequencies;IRIntensity=9.05 km/mol;Frequency=1330.47 cm^-1
C     0.01231   -0.01259   -0.02146    0.01618   -0.00683    0.04602
C     1.54132    0.02698   -0.02446    0.00591    0.02610   -0.01275
N     2.01181    1.41354   -0.01735    0.00284   -0.00064   -0.04485
O    -0.49623   -1.33890   -0.07258   -0.00497    0.00316    0.01062
H    -0.36340    0.50021   -0.91070    0.31192    0.10693   -0.01344
H    -0.37364    0.53445    0.85587   -0.36228   -0.19410   -0.01150
H     1.91355   -0.58616    0.81981   -0.53435   -0.34868   -0.02531
H     1.89508   -0.45750   -0.94078    0.34612    0.23759    0.01126
H     3.01578    1.44403   -0.17213    0.01829    0.12485    0.04163
H     1.85253    1.83232    0.89642   -0.01449   -0.19974    0.04958
H    -0.22835   -1.78711    0.74040    0.01120    0.00246    0.00629
11
Model[16]: PATH=Frequencies;IRIntensity=1.42 km/mol;Frequency=1382.22 cm^-1
C     0.01231   -0.01259   -0.02146   -0.05138   -0.05694    0.02962
C     1.54132    0.02698   -0.02446   -0.07088    0.01613    0.04655
N     2.01181    1.41354   -0.01735    0.03534   -0.01516   -0.03705
O    -0.49623   -1.33890   -0.07258    0.00004   -0.01286   -0.03187
H    -0.36340    0.50021   -0.91070    0.16300    0.00036   -0.01885
H    -0.37364    0.53445    0.85587    0.49246    0.40045    0.00186
H     1.91355   -0.58616    0.81981    0.07821   -0.01944   -0.03734
H     1.89508   -0.45750   -0.94078    0.16679    0.27043    0.01011
H     3.01578    1.44403   -0.17213    0.03667    0.27863    0.02872
H     1.85253    1.83232    0.89642   -0.08396   -0.25766    0.05826
H    -0.22835   -1.78711    0.74040    0.11096    0.22788    0.07103
11
Model[17]: PATH=Frequencies;IRIntensity=57.58 km/mol;Frequency=1397.76 cm^-1
C     0.01231   -0.01259   -0.02146   -0.05311    0.01724   -0.07258
C     1.54132    0.02698   -0.02446   -0.04527   -0.02440    0.00880
N     2.01181    1.41354   -0.01735    0.01745   -0.00716   -0.00281
O    -0.49623   -1.33890   -0.07258    0.03249    0.00276    0.05723
H    -0.36340    0.50021   -0.91070    0.29039    0.44814    0.01810
H    -0.37364    0.53445    0.85587    0.04803   -0.10076    0.03842
H     1.91355   -0.58616    0.81981    0.23153    0.15441   -0.00334
H     1.89508   -0.45750   -0.94078    0.12542    0.13003   -0.00962
H     3.01578    1.44403   -0.17213    0.01221    0.08623   -0.00588
H     1.85253    1.83232    0.89642   -0.03753   -0.05291    0.00763
H    -0.22835   -1.78711    0.74040   -0.25668   -0.52406   -0.15504
11
Model[18]: PATH=Frequencies;IRIntensity=0.61 km/mol;Frequency=1447.59 cm^-1
C     0.01231   -0.01259   -0.02146   -0.09028   -0.05024   -0.00581
C     1.54132    0.02698   -0.02446    0.11158    0.06092   -0.01403
N     2.01181    1.41354   -0.01735   -0.03002    0.00473    0.01110
O    -0.49623   -1.33890   -0.07258    0.01100   -0.00271    0.00580
H    -0.36340    0.50021   -0.91070    0.33006    0.20271   -0.04081
H    -0.37364    0.53445    0.85587    0.31018    0.16864    0.04124
H     1.91355   -0.58616    0.81981   -0.33853   -0.16703    0.03252
H     1.89508   -0.45750   -0.94078   -0.34700   -0.23878   -0.03547
H     3.01578    1.44403   -0.17213   -0.01899   -0.16597    0.02702
H     1.85253    1.83232    0.89642    0.07891    0.11229   -0.01743
H    -0.22835   -1.78711    0.74040   -0.02562   -0.06189   -0.01731
11
Model[19]: PATH=Frequencies;IRIntensity=0.07 km/mol;Frequency=1516.95 cm^-1
C     0.01231   -0.01259   -0.02146    0.02911   -0.04623   -0.00163
C     1.54132    0.02698   -0.02446   -0.02256    0.04919    0.00350
N     2.01181    1.41354   -0.01735   -0.00030    0.00849    0.00125
O    -0.49623   -1.33890   -0.07258    0.00043   -0.00688    0.00085
H    -0.36340    0.50021   -0.91070   -0.18254    0.35499    0.30216
H    -0.37364    0.53445    0.85587   -0.17935    0.32567   -0.29895
H     1.91355   -0.58616    0.81981    0.16182   -0.30656   -0.30296
H     1.89508   -0.45750   -0.94078    0.15810   -0.35779    0.27097
H     3.01578    1.44403   -0.17213   -0.00519   -0.03625   -0.02155
H     1.85253    1.83232    0.89642   -0.03284   -0.00747    0.00133
H    -0.22835   -1.78711    0.74040   -0.00077   -0.01651   -0.00407
11
Model[20]: PATH=Frequencies;IRIntensity=1.22 km/mol;Frequency=1532.07 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03022    0.05063   -0.00295
C     1.54132    0.02698   -0.02446   -0.03169    0.04902    0.00377
N     2.01181    1.41354   -0.01735   -0.00167    0.00435    0.00055
O    -0.49623   -1.33890   -0.07258   -0.00043    0.00337    0.00170
H    -0.36340    0.50021   -0.91070    0.19279   -0.30791   -0.29018
H    -0.37364    0.53445    0.85587    0.19677   -0.30402    0.29440
H     1.91355   -0.58616    0.81981    0.21721   -0.28971   -0.32035
H     1.89508   -0.45750   -0.94078    0.20094   -0.34373    0.28507
H     3.01578    1.44403   -0.17213   -0.00439   -0.02186   -0.01108
H     1.85253    1.83232    0.89642   -0.02049   -0.01247    0.00480
H    -0.22835   -1.78711    0.74040   -0.01576   -0.02069   -0.00703
11
Model[21]: PATH=Frequencies;IRIntensity=26.45 km/mol;Frequency=1669.27 cm^-1
C     0.01231   -0.01259   -0.02146    0.00714   -0.00252    0.00086
C     1.54132    0.02698   -0.02446   -0.01590    0.01042   -0.01605
N     2.01181    1.41354   -0.01735   -0.04077   -0.05673   -0.02041
O    -0.49623   -1.33890   -0.07258   -0.00166    0.00007    0.00059
H    -0.36340    0.50021   -0.91070    0.00160    0.00575    0.00729
H    -0.37364    0.53445    0.85587   -0.01553   -0.00701   -0.01594
H     1.91355   -0.58616    0.81981    0.03252    0.02988   -0.03099
H     1.89508   -0.45750   -0.94078    0.00594   -0.05546    0.02672
H     3.01578    1.44403   -0.17213    0.05265    0.44274    0.49411
H     1.85253    1.83232    0.89642    0.61859    0.27729   -0.02585
H    -0.22835   -1.78711    0.74040    0.00132   -0.00016   -0.00027
11
Model[22]: PATH=Frequencies;IRIntensity=101.34 km/mol;Frequency=2917.07 cm^-1
C     0.01231   -0.01259   -0.02146   -0.00005    0.00262    0.00504
C     1.54132    0.02698   -0.02446   -0.03033    0.04224   -0.05331
N     2.01181    1.41354   -0.01735    0.00055    0.00229    0.00030
O    -0.49623   -1.33890   -0.07258   -0.00012   -0.00060    0.00017
H    -0.36340    0.50021   -0.91070   -0.01160    0.01832   -0.02612
H    -0.37364    0.53445    0.85587    0.02157   -0.03294   -0.04991
H     1.91355   -0.58616    0.81981    0.32682   -0.50288    0.74082
H     1.89508   -0.45750   -0.94078    0.01969   -0.03278   -0.10164
H     3.01578    1.44403   -0.17213   -0.00424    0.00296    0.00571
H     1.85253    1.83232    0.89642    0.00904   -0.00356   -0.00380
H    -0.22835   -1.78711    0.74040   -0.00543   -0.00547    0.00286
11
Model[23]: PATH=Frequencies;IRIntensity=63.65 km/mol;Frequency=2972.50 cm^-1
C     0.01231   -0.01259   -0.02146   -0.03316    0.04042    0.05219
C     1.54132    0.02698   -0.02446    0.00445   -0.00414   -0.00109
N     2.01181    1.41354   -0.01735   -0.00021   -0.00039   -0.00014
O    -0.49623   -1.33890   -0.07258    0.00074    0.00197   -0.00027
H    -0.36340    0.50021   -0.91070    0.04103   -0.06378    0.13971
H    -0.37364    0.53445    0.85587    0.33390   -0.44809   -0.76200
H     1.91355   -0.58616    0.81981   -0.01726    0.02387   -0.04065
H     1.89508   -0.45750   -0.94078   -0.02239    0.03400    0.06535
H     3.01578    1.44403   -0.17213    0.00070   -0.00397   -0.00278
H     1.85253    1.83232    0.89642   -0.00665   -0.00199    0.00012
H    -0.22835   -1.78711    0.74040    0.00362    0.00202   -0.00197
11
Model[24]: PATH=Frequencies;IRIntensity=24.45 km/mol;Frequency=3082.68 cm^-1
C     0.01231   -0.01259   -0.02146    0.00684   -0.00969    0.01113
C     1.54132    0.02698   -0.02446    0.02267   -0.03019   -0.07012
N     2.01181    1.41354   -0.01735   -0.00083    0.00083    0.00174
O    -0.49623   -1.33890   -0.07258   -0.00015    0.00020   -0.00002
H    -0.36340    0.50021   -0.91070   -0.06937    0.09744   -0.17095
H    -0.37364    0.53445    0.85587   -0.01425    0.01668    0.03364
H     1.91355   -0.58616    0.81981    0.03448   -0.04702    0.05056
H     1.89508   -0.45750   -0.94078   -0.29769    0.40230    0.78198
H     3.01578    1.44403   -0.17213    0.00399   -0.00376   -0.00006
H     1.85253    1.83232    0.89642    0.00431   -0.00389   -0.01923
H    -0.22835   -1.78711    0.74040    0.00097   -0.00162    0.00270
11
Model[25]: PATH=Frequencies;IRIntensity=30.81 km/mol;Frequency=3115.33 cm^-1
C     0.01231   -0.01259   -0.02146   -0.02259    0.02934   -0.07331
C     1.54132    0.02698   -0.02446    0.00392   -0.00427   -0.01801
N     2.01181    1.41354   -0.01735   -0.00033    0.00008    0.00069
O    -0.49623   -1.33890   -0.07258    0.00091    0.00008    0.00172
H    -0.36340    0.50021   -0.91070    0.31652   -0.42118    0.75396
H    -0.37364    0.53445    0.85587   -0.05998    0.07148    0.10908
H     1.91355   -0.58616    0.81981    0.02432   -0.03099    0.04407
H     1.89508   -0.45750   -0.94078   -0.06354    0.08171    0.16251
H     3.01578    1.44403   -0.17213    0.00199   -0.00193    0.00077
H     1.85253    1.83232    0.89642    0.00241    0.00005   -0.00493
H    -0.22835   -1.78711    0.74040   -0.00932   -0.00008   -0.01499
11
Model[26]: PATH=Frequencies;IRIntensity=0.52 km/mol;Frequency=3493.53 cm^-1
C     0.01231   -0.01259   -0.02146    0.00040   -0.00026   -0.00007
C     1.54132    0.02698   -0.02446   -0.00049    0.00196   -0.00300
N     2.01181    1.41354   -0.01735   -0.03084   -0.02638   -0.03800
O    -0.49623   -1.33890   -0.07258   -0.00008    0.00002    0.00002
H    -0.36340    0.50021   -0.91070    0.00021    0.00051   -0.00044
H    -0.37364    0.53445    0.85587   -0.00156    0.00037    0.00102
H     1.91355   -0.58616    0.81981    0.00411   -0.00032    0.00860
H     1.89508   -0.45750   -0.94078   -0.00367    0.00332    0.01102
H     3.01578    1.44403   -0.17213    0.58651    0.01736   -0.13247
H     1.85253    1.83232    0.89642   -0.15467    0.32495    0.67641
H    -0.22835   -1.78711    0.74040   -0.00006   -0.00017    0.00010
11
Model[27]: PATH=Frequencies;IRIntensity=0.10 km/mol;Frequency=3579.54 cm^-1
C     0.01231   -0.01259   -0.02146    0.00034   -0.00010    0.00007
C     1.54132    0.02698   -0.02446   -0.00101    0.00109    0.00132
N     2.01181    1.41354   -0.01735   -0.05961    0.01507    0.04648
O    -0.49623   -1.33890   -0.07258   -0.00003    0.00000   -0.00006
H    -0.36340    0.50021   -0.91070   -0.00029    0.00064   -0.00082
H    -0.37364    0.53445    0.85587    0.00189    0.00015   -0.00050
H     1.91355   -0.58616    0.81981    0.00028    0.00115   -0.00192
H     1.89508   -0.45750   -0.94078    0.00551   -0.00681   -0.01308
H     3.01578    1.44403   -0.17213    0.74322    0.02435   -0.11942
H     1.85253    1.83232    0.89642    0.08602   -0.24045   -0.52626
H    -0.22835   -1.78711    0.74040    0.00007   -0.00019    0.00063
11
Model[28]: PATH=Frequencies;IRIntensity=12.05 km/mol;Frequency=3809.19 cm^-1
C     0.01231   -0.01259   -0.02146   -0.00156   -0.00019   -0.00256
C     1.54132    0.02698   -0.02446    0.00022   -0.00048    0.00024
N     2.01181    1.41354   -0.01735   -0.00009   -0.00004    0.00000
O    -0.49623   -1.33890   -0.07258   -0.01555    0.02973   -0.05020
H    -0.36340    0.50021   -0.91070    0.00543   -0.00361    0.01355
H    -0.37364    0.53445    0.85587   -0.00131   -0.00284    0.00216
H     1.91355   -0.58616    0.81981    0.00137    0.00174   -0.00193
H     1.89508   -0.45750   -0.94078   -0.00020    0.00028    0.00007
H     3.01578    1.44403   -0.17213   -0.00068   -0.00048    0.00002
H     1.85253    1.83232    0.89642    0.00001    0.00023    0.00025
H    -0.22835   -1.78711    0.74040    0.25938   -0.45849    0.81026
</ModelData>
</Models>
##$PEAKS=
<Peaks type="RAMAN" xUnitsExpected="1/cm"  >
<PeakData id="1" title="OH stretch (~3400 cm-1)" peakShape="broad" model="2.28" xMax="3375" xMin="3335"    />
<PeakData id="2" title="asymm stretch of NH2 group (~3290 cm-1)" peakShape="broad" model="2.27" xMax="3310" xMin="3270"    />
<PeakData id="3" title="symm stretch of NH2 group (~3170 cm-1)" peakShape="broad" model="2.26" xMax="3220" xMin="3120"    />
<PeakData id="4" title="asymm stretch of CH2 group (~2925 cm-1)" peakShape="broad" model="2.25" xMax="2955" xMin="2895"    />
<PeakData id="5" title="symm bend of CH2 group (~2858 cm-1)" peakShape="broad" model="2.24" xMax="2888" xMin="2828"    />
<PeakData id="6" title="Carbonyl stretching band (~1685 cm-1)" peakShape="broad" model="2.21" xMax="1635" xMin="1575"    />
<PeakData id="7" title="C-C of aromatic group (~1600 cm-1)" peakShape="broad" model="2.20" xMax="1490" xMin="1430"    />
<PeakData id="8" title="symm stretch of CH3 group (~1450 cm-1)" peakShape="broad" model="2.19" xMax="1395" xMin="1335"    />
<PeakData id="9" title="C-H twist of methyl group (~1360 cm-1)" peakShape="broad" model="2.16" xMax="1260" xMin="1220"    />
<PeakData id="10" title="scissors of aromatic C-H groups (~1265 cm-1" peakShape="broad" model="2.13" xMax="1192" xMin="1152"    />
<PeakData id="11" title="symm stretch of CH3 group (~1080 cm-1)" peakShape="broad" model="2.12" xMax="1095" xMin="1065"    />
<PeakData id="12" title="symm stretch of CH group (~1025 cm-1)" peakShape="broad" model="2.10" xMax="1050" xMin="1015"    />
<PeakData id="13" title=" (~955 cm-1" peakShape="broad" model="2.9" xMax="960" xMin="920"    />
<PeakData id="14" title=" (~760 cm-1)" peakShape="broad" model="2.7" xMax="892" xMin="852"    />
<PeakData id="15" title=" (~480 cm-1)" peakShape="broad" model="2.6" xMax="500" xMin="460"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= RAMAN INTENSITY
##XFACTOR= 1E0
##YFACTOR= 9.5147402E-7
##FIRSTX= 33.81494141
##FIRSTY= 0.86726397
##LASTX= 3989.93711266
##NPOINTS= 1489
##XYDATA= (X++(Y..Y))
33.81494141I11495k0612m0558m8391m9659l7704l3550l3233l1394k9269E59696
63.11494141000001E33978k4037k2419k0866j9407j7853j6014j4809j4048j3731C56651
92.31494141C42445j3921j4016j4460j4334j3794j2811j0909r830r228q879B11194
124.2196596244355B02347q467q055p515p103o787o532o501o215n898n328m534A25353
158.81965962443533A21611l615l774l710l488l171k632k347k156k061k157k124H8315
193.31965962443533H6412j681j617j617j713j934k093k156k347k632k727k727k505E8602
230.57838614230494E6794j712j681j776j776j649j427j014q25o97o98q56q88p61D0336
270.47366792786966C9892l17k22j58j91o3L2J90M44O34P61R51J079J236J364J554D8961
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##END= $$ end of Raman
##END=