##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=
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
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
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##FIRSTY= 0.42957044
##LASTX= 3998.22801094
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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=
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
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
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##END=