# IR Spectrum

# X-Axis: Frequency (cm-1)

# Y-Axis: ε (M-1 cm-1)

# Peak information
# X Y
# 39.5854000000 220.3241747265
# 48.2541000000 192.6570540311
# 77.7195000000 9.1471331634
# 96.8779000000 65.0020674367
# 134.5600000000 3.4954663566
# 238.3811000000 249.8307170343
# 248.7891000000 25.8087476830
# 262.5550000000 838.7405843176
# 272.3523000000 40.3740891538
# 277.2906000000 694.6851029373
# 288.0843000000 9.9581117998
# 302.8927000000 263.8742436571
# 318.0011000000 3025.6814985272
# 370.5618000000 120.9893862528
# 383.6275000000 12.5704845763
# 448.6539000000 71.3452595490
# 466.5170000000 95.1981762006
# 480.0356000000 2.0759949250
# 482.0731000000 5.6827879248
# 551.5074000000 16.0239248117
# 583.2386000000 121.4790975868
# 624.3944000000 88.2812236852
# 675.1193000000 295.7175204218
# 711.6458000000 0.3049595997
# 712.2814000000 0.6497012247
# 736.6068000000 43.6354590759
# 788.4189000000 67.1365483302
# 817.2376000000 89.9057111339
# 819.2579000000 632.8990720259
# 860.0248000000 23.3655978540
# 898.6561000000 223.8193676211
# 916.3789000000 35.1496466930
# 989.4706000000 22.2308165192
# 996.3211000000 0.2378452141
# 999.4664000000 2.6615503867
# 1040.8208000000 47.0239670536
# 1096.0771000000 49.3656840527
# 1099.6871000000 11.0363618495
# 1106.9103000000 7.0081408003
# 1107.9071000000 22.4652873975
# 1131.7570000000 186.2785907292
# 1141.1927000000 43.3012494560
# 1141.6042000000 5.9798806130
# 1158.7748000000 83.4121677306
# 1164.7419000000 5.0739939053
# 1166.4225000000 12.0401275281
# 1187.1215000000 67.8601984285
# 1190.4855000000 5.3556762494
# 1193.2359000000 7.0250331955
# 1199.9873000000 15.0883930854
# 1223.6869000000 97.9582452214
# 1233.0847000000 119.2136414902
# 1247.8274000000 5.5533187331
# 1257.3773000000 61.6000856504
# 1310.0905000000 28.5033411370
# 1328.8638000000 6.4008020891
# 1333.3918000000 19.3986912877
# 1340.2562000000 164.9255837769
# 1349.7249000000 101.3619875614
# 1355.8371000000 47.7487612603
# 1367.1904000000 12.9122340350
# 1466.6325000000 44.1563136925
# 1471.9664000000 44.7009714790
# 1493.4796000000 1.0091830756
# 1503.5233000000 35.2857859038
# 1525.4284000000 2.6918908415
# 1575.3970000000 45.5269256808
# 1617.2077000000 43.7062897711
# 1622.4619000000 27.5967051858
# 1659.0265000000 4.0689279726
# 1668.9959000000 85.1593823281
# 1670.2913000000 30.2427179993
# 1676.2966000000 10.4653174786
# 1750.2726000000 2.6086595421
# 1752.8022000000 3.6400246729
# 1775.1211000000 8.9682277491
# 1776.4559000000 5.5057970168
# 3209.7727000000 25.3841830322
# 3229.8952000000 27.7059669922
# 3278.5977000000 32.4718875139
# 3324.9558000000 6.3329675941
# 3346.9238000000 0.0557837015
# 3347.6038000000 0.0572024309
# 3358.2931000000 23.1933870127
# 3359.2226000000 22.8996900475
# 3376.0233000000 72.3685400574
# 3376.2150000000 0.3782360147
# 3409.4456000000 5.9980572764
# 3411.5122000000 0.6616423785
# 3420.5826000000 3.6881645203
# 3427.5139000000 2.2978370236
# 3886.2820000000 22.6059029392
# 3889.9084000000 47.3569031082

# Spectra
# X Y DY/DX
400.0000000000 13.4683625779 -0.3058414525
407.2000000000 11.7203760644 -0.1861380208
414.4000000000 10.7282671922 -0.0913599277
421.6000000000 10.4089729877 0.0052550701
428.8000000000 10.8779552236 0.1327391804
436.0000000000 12.4456519067 0.3085198145
443.2000000000 15.1576664412 0.3996447469
450.4000000000 17.2931739983 0.1592085951
457.6000000000 18.0011706963 0.0952184240
464.8000000000 18.3806932736 -0.0840297003
472.0000000000 16.0509236838 -0.5096019599
479.2000000000 12.3214130798 -0.4712623107
486.4000000000 9.4610536842 -0.3264834065
493.6000000000 7.5686177342 -0.2039437669
500.8000000000 6.4442489105 -0.1174069005
508.0000000000 5.8175474923 -0.0617682487
515.2000000000 5.5225205543 -0.0216733909
522.4000000000 5.4968664886 0.0147937036
529.6000000000 5.7513981126 0.0578980925
536.8000000000 6.4010696701 0.1170787166
544.0000000000 7.4858093173 0.1769650443
551.2000000000 8.7620679027 0.1627029410
558.4000000000 9.9210220685 0.1895667806
565.6000000000 11.9939083154 0.4091340991
572.8000000000 16.0140926675 0.6927143426
580.0000000000 20.8021093030 0.4756578502
587.2000000000 20.9665010359 -0.4107169457
594.4000000000 17.1007215478 -0.5109081901
601.6000000000 14.6641064182 -0.1501501534
608.8000000000 14.9502188805 0.2259529066
616.0000000000 17.7131086125 0.4976069653
623.2000000000 20.6367524162 0.1751787284
630.4000000000 19.6082736475 -0.3683620609
637.6000000000 17.2357121170 -0.2118305676
644.8000000000 17.0840501223 0.1815838423
652.0000000000 20.0492792746 0.6659747254
659.2000000000 27.1898270489 1.3529787317
666.4000000000 39.4951704466 1.9515738975
673.6000000000 50.4629873538 0.5952486164
680.8000000000 45.1271075865 -1.7720807778
688.0000000000 31.4870103940 -1.7167940371
695.2000000000 21.7887370385 -0.9958379551
702.4000000000 16.5350146329 -0.5056622554
709.6000000000 14.0393175271 -0.2100847369
716.8000000000 13.3245932003 0.0054983481
724.0000000000 14.1207632234 0.2135243239
731.2000000000 16.1014110718 0.2826378998
738.4000000000 17.1225541030 -0.0437438983
745.6000000000 16.0695260930 -0.1753676506
752.8000000000 15.4347166907 0.0144921460
760.0000000000 16.4013053841 0.2545427279
767.2000000000 19.2198251844 0.5413042721
774.4000000000 24.4766374471 0.9402454895
781.6000000000 32.8426170341 1.3525808832
788.8000000000 42.8958426574 1.3846633349
796.0000000000 54.1361735509 1.9704490551
803.2000000000 74.6867458738 3.9158331010
810.4000000000 110.5298774510 5.6809840466
817.6000000000 141.9194902095 1.5792475446
824.8000000000 125.2172806815 -5.3003814131
832.0000000000 84.7001922474 -5.0858118451
839.2000000000 55.9518628600 -2.9533398125
846.4000000000 40.3713864787 -1.5000535627
853.6000000000 32.8343865541 -0.6879337082
860.8000000000 29.1485350571 -0.4032776499
868.0000000000 26.9601683520 -0.1501809525
875.2000000000 27.6928461936 0.3923921093
882.4000000000 33.1569862466 1.1715369832
889.6000000000 44.5618835073 1.8986795464
896.8000000000 55.9645410724 0.7709840062
904.0000000000 52.1806409072 -1.5569658298
911.2000000000 39.8414530081 -1.6002778484
918.4000000000 29.5327431243 -1.2783276457
925.6000000000 21.2678504676 -0.9837600839
932.8000000000 15.5475175673 -0.6177993350
 940.0000000000 12.0709908250 -0.3687397774
947.2000000000 10.0005378486 -0.2183926902
954.4000000000 8.8053423746 -0.1189883932
961.6000000000 8.2436954534 -0.0378981545
968.8000000000 8.2758253780 0.0498479935
976.0000000000 9.0220934693 0.1589849449
983.2000000000 10.4566264223 0.2113354964
990.4000000000 11.3585563391 -0.0028617013
997.6000000000 10.5597618508 -0.1708310642
1004.8000000000 9.4637853215 -0.1113071137
1012.0000000000 9.1244914438 0.0222149086
1019.2000000000 9.8533117268 0.1831377705
1026.4000000000 11.8912198854 0.3878888132
1033.6000000000 15.2921657117 0.5081120543
1040.8000000000 17.7483883791 0.0641197635
1048.0000000000 16.2190755785 -0.3775652084
1055.2000000000 13.8037887303 -0.2402820460
1062.4000000000 12.9559860009 0.0016089856
1069.6000000000 13.8046146504 0.2321581635
1076.8000000000 16.4459856145 0.5140661864
1084.0000000000 21.4764163774 0.8956973786
1091.2000000000 28.9933961863 1.1040642776
1098.4000000000 35.5116433455 0.6259765364
1105.6000000000 38.6539951867 0.3534538604
1112.8000000000 42.1459048331 0.7496101410
1120.0000000000 51.3014089615 1.8498556251
1127.2000000000 66.8654093190 2.0808832256
1134.4000000000 74.2984039270 -0.2313328476
1141.6000000000 66.9626514148 -1.3978527283
1148.8000000000 58.5677531010 -0.7593196929
1156.0000000000 55.6318381487 -0.2858069003
1163.2000000000 51.3555811499 -0.9153159188
1170.4000000000 44.8120455930 -0.7054963858
1177.6000000000 42.8314092415 0.1599487386
1184.8000000000 45.3572863440 0.3143206692
1192.0000000000 44.9548911251 -0.3975265982
1199.2000000000 41.8258661881 -0.3241158751
1206.4000000000 41.8012756301 0.4086172329
1213.6000000000 48.6493168581 1.4972311054
1220.8000000000 61.4975215891 1.7826340402
1228.0000000000 69.8702856777 0.3589865678
1235.2000000000 65.6694132254 -1.4477217263
1242.4000000000 53.4627942143 -1.5735669529
1249.6000000000 45.4518060894 -0.6928882039
1256.8000000000 40.9676941000 -0.7730776639
1264.0000000000 33.3973165028 -1.2021882009
1271.2000000000 25.7508042919 -0.8474995420
1278.4000000000 21.3337433958 -0.3888620473
1285.6000000000 19.8645943590 -0.0309232900
1292.8000000000 20.8426231291 0.3069682663
1300.0000000000 24.3718856743 0.6716250606
1307.2000000000 30.0626207381 0.8448155390
1314.4000000000 36.1032670128 0.9021768804
1321.6000000000 45.0847753084 1.7295379717
1328.8000000000 61.9164358156 2.9070389626
1336.0000000000 83.9717051385 2.8064541232
1343.2000000000 95.7954368181 0.2720675200
1350.4000000000 89.1972066795 -1.9536868723
1357.6000000000 70.2795754509 -3.0212800779
1364.8000000000 49.6708477288 -2.5372883066
1372.0000000000 34.2928787311 -1.7534140641
1379.2000000000 24.1044546040 -1.1062899348
1386.4000000000 17.8372217483 -0.6708175241
1393.6000000000 14.0095166557 -0.4129010836
1400.8000000000 11.6437884162 -0.2561364416
1408.0000000000 10.1981848034 -0.1513018531
1415.2000000000 9.4084437796 -0.0703380436
1422.4000000000 9.0890159724 0.0059556628
1429.6000000000 9.4394223956 0.0954383287
1436.8000000000 10.5581006718 0.2250790585
1444.0000000000 12.8866944864 0.4416013991
1451.2000000000 17.2859507940 0.8090068683
1458.4000000000 24.7194526264 1.2225816397
1465.6000000000 32.9070306337 0.8121962311
1472.8000000000 33.7046572759 -0.5940275795
1480.0000000000 27.0909941151 -0.9865699928
1487.2000000000 21.7781530360 -0.4388689507
1494.4000000000 20.6196508779 0.0625188635
1501.6000000000 21.1214374519 -0.0627119006
1508.8000000000 18.5667442946 -0.5877788822
1516.0000000000 14.3003373931 -0.5168890525
1523.2000000000 11.4187891049 -0.2979441652
1530.4000000000 9.7442291218 -0.1747162031
1537.6000000000 8.9189345457 -0.0517069088
1544.8000000000 9.0272967142 0.0845370245
1552.0000000000 10.2222771639 0.2575732166
1559.2000000000 12.9414073001 0.5135662216
1566.4000000000 17.6535715453 0.7613264062
1573.6000000000 22.2908674107 0.3505317370
1580.8000000000 21.5308654242 -0.4592027524
1588.0000000000 18.1433371085 -0.3564691092
1595.2000000000 17.1687182146 0.1012718696
1602.4000000000 19.7312908912 0.6196758947
1609.6000000000 25.9388022703 1.0406179424
1616.8000000000 32.3277447295 0.4977582469
1624.0000000000 31.3578295999 -0.6837578491
1631.2000000000 25.4160812195 -0.7671648297
1638.4000000000 21.8344903786 -0.1962484048
1645.6000000000 22.7263402672 0.4563632009
1652.8000000000 28.6897214436 1.2229233898
1660.0000000000 40.1703645602 1.8693545342
1667.2000000000 51.4961516056 0.8098358749
1674.4000000000 47.8193650263 -1.6593164511
1681.6000000000 33.4931532801 -1.9702574318
1688.8000000000 21.7323256395 -1.2776872577
1696.0000000000 14.6413556820 -0.7382123081
1703.2000000000 10.5233492357 -0.4332838938
1710.4000000000 8.0707303980 -0.2620941829
1717.6000000000 6.5880512215 -0.1570769062
1724.8000000000 5.7399407638 -0.0811707234
1732.0000000000 5.3755496480 -0.0109049964
1739.2000000000 5.5697735456 0.0652043135
1746.4000000000 6.2248157846 0.1031487351
1753.6000000000 6.7501357223 0.0338923455
1760.8000000000 6.9525118454 0.0567510837
1768.0000000000 7.7412917954 0.1462756578
1775.2000000000 8.3247900507 -0.0465811539
1782.4000000000 6.9261196594 -0.2913071768
1789.6000000000 4.8854009864 -0.2443779040
1796.8000000000 3.4808634858 -0.1499710961
1804.0000000000 2.6302100632 -0.0912948527
1811.2000000000 2.1008016890 -0.0589217278
1818.4000000000 1.7486843836 -0.0405235452
1825.6000000000 1.4827706922 -0.0293850753
1832.8000000000 1.2984423158 -0.0223113212
1840.0000000000 1.1352545938 -0.0174864293
1847.2000000000 1.0220449036 -0.0141453752
1854.4000000000 0.9284300275 -0.0117047046
1861.6000000000 0.8400379075 -0.0098332259
1868.8000000000 0.7745500879 -0.0084157100
1876.0000000000 0.7181425829 -0.0072949476
1883.2000000000 0.6689829015 -0.0063916385
1890.4000000000 0.6257126097 -0.0056515114
1897.6000000000 0.5873018944 -0.0050364174
1904.8000000000 0.5529545976 -0.0045188953
1912.0000000000 0.5166904235 -0.0040609749
1919.2000000000 0.4888431079 -0.0036837075
1926.4000000000 0.4635235828 -0.0033571312
1933.6000000000 0.4354624401 -0.0030559100
1940.8000000000 0.3825398582 -0.0027004838
1948.0000000000 0.3638919724 -0.0024839169
1955.2000000000 0.3273270024 -0.0022278947
1962.4000000000 0.3027651337 -0.0020288984
1969.6000000000 0.2861799172 -0.0018705434
1976.8000000000 0.2732040786 -0.0017362351
1984.0000000000 0.2611461759 -0.0016152526
1991.2000000000 0.2499165616 -0.0015058954
1998.4000000000 0.2394368433 -0.0014067284
2005.6000000000 0.2296381546 -0.0013165334
2012.8000000000 0.2204597384 -0.0012342702
2020.0000000000 0.2118477802 -0.0011590460
2027.2000000000 0.2037544378 -0.0010900910
2034.4000000000 0.1961370325 -0.0010267378
2041.6000000000 0.1889573685 -0.0009684059
2048.8000000000 0.1821811586 -0.0009145882
2056.0000000000 0.1757775369 -0.0008648398
2063.2000000000 0.1697186424 -0.0008187694
2070.4000000000 0.1547508908 -0.0007454809
2077.6000000000 0.1402057290 -0.0006760818
2084.8000000000 0.1354649883 -0.0006412123
2092.0000000000 0.1309664734 -0.0006087596
2099.2000000000 0.1264801658 -0.0005778086
2106.4000000000 0.1148403105 -0.0005244650
2113.6000000000 0.1111569250 -0.0004989853
2120.8000000000 0.1076509535 -0.0004751598
2128.0000000000 0.1037235145 -0.0004509051
2135.2000000000 0.1005528230 -0.0004300655
2142.4000000000 0.0975274878 -0.0004105111
2149.6000000000 0.0946386180 -0.0003921427
2156.8000000000 0.0918780038 -0.0003748703
2164.0000000000 0.0892380529 -0.0003586120
2171.2000000000 0.0867117355 -0.0003432936
2178.4000000000 0.0740461836 -0.0002948835
2185.6000000000 0.0719682756 -0.0002824339
2192.8000000000 0.0699774602 -0.0002706826
2200.0000000000 0.0680688875 -0.0002595809
2207.2000000000 0.0662380438 -0.0002490841
2214.4000000000 0.0644807244 -0.0002391510
2221.6000000000 0.0527416919 -0.0001965035
2228.8000000000 0.0450286696 -0.0001678923
2236.0000000000 0.0438439109 -0.0001612670
2243.2000000000 0.0427055932 -0.0001549882
2250.4000000000 0.0416113043 -0.0001490332
2257.6000000000 0.0405587878 -0.0001433814
2264.8000000000 0.0385903556 -0.0001348606
2272.0000000000 0.0100852461 -0.0000384903
2279.2000000000 0.0073067337 -0.0000286276
2286.4000000000 0.0071048955 -0.0000274495
2293.6000000000 0.0069113075 -0.0000263352
2300.8000000000 0.0067255260 -0.0000252804
2308.0000000000 0.0065471370 -0.0000242811
2315.2000000000 0.0063757532 -0.0000233339
2322.4000000000 0.0062110126 -0.0000224353
2329.6000000000 0.0060525762 -0.0000215822
2336.8000000000 0.0059001264 -0.0000207719
2344.0000000000 0.0057533652 -0.0000200016
2351.2000000000 0.0049552224 -0.0000170844
2358.4000000000 0.0039307751 -0.0000134811
2365.6000000000 0.0038354795 -0.0000129939
2372.8000000000 0.0037436071 -0.0000125299
2380.0000000000 0.0000000000 0.0000000000
2387.2000000000 0.0000000000 0.0000000000
2394.4000000000 0.0000000000 0.0000000000
2401.6000000000 0.0000000000 0.0000000000
2408.8000000000 0.0000000000 0.0000000000
2416.0000000000 0.0000000000 0.0000000000
2423.2000000000 0.0000000000 0.0000000000
2430.4000000000 0.0000000000 0.0000000000
2437.6000000000 0.0000000000 0.0000000000
2444.8000000000 0.0000000000 0.0000000000
2452.0000000000 0.0000000000 0.0000000000
2459.2000000000 0.0000000000 0.0000000000
2466.4000000000 0.0000000000 0.0000000000
2473.6000000000 0.0000000000 0.0000000000
2480.8000000000 0.0000000000 0.0000000000
2488.0000000000 0.0000000000 0.0000000000
2495.2000000000 0.0000000000 0.0000000000
2502.4000000000 0.0000000000 0.0000000000
2509.6000000000 0.0000000000 0.0000000000
2516.8000000000 0.0000000000 0.0000000000
2524.0000000000 0.0000000000 0.0000000000
2531.2000000000 0.0000000000 0.0000000000
2538.4000000000 0.0000000000 0.0000000000
2545.6000000000 0.0000000000 0.0000000000
2552.8000000000 0.0000000000 0.0000000000
2560.0000000000 0.0000000000 0.0000000000
2567.2000000000 0.0000000000 0.0000000000
2574.4000000000 0.0000000000 0.0000000000
2581.6000000000 0.0000000000 0.0000000000
2588.8000000000 0.0000000000 0.0000000000
2596.0000000000 0.0000000000 0.0000000000
2603.2000000000 0.0000000000 0.0000000000
2610.4000000000 0.0117812150 0.0000392872
2617.6000000000 0.0120692583 0.0000407365
2624.8000000000 0.0123679936 0.0000422579
2632.0000000000 0.0256813526 0.0000873259
2639.2000000000 0.0263218367 0.0000906133
2646.4000000000 0.0269865851 0.0000940678
2653.6000000000 0.0276768393 0.0000977001
2660.8000000000 0.0283939211 0.0001015219
2668.0000000000 0.0291392390 0.0001055456
2675.2000000000 0.0299142954 0.0001097849
2682.4000000000 0.0462788704 0.0001664126
2689.6000000000 0.0475007719 0.0001730625
2696.8000000000 0.0487718343 0.0001800724
2704.0000000000 0.0500947372 0.0001874669
2711.2000000000 0.0514723457 0.0001952730
2718.4000000000 0.0529077260 0.0002035197
2725.6000000000 0.0574490433 0.0002223928
2732.8000000000 0.0590845066 0.0002319930
2740.0000000000 0.0607910929 0.0002421559
2747.2000000000 0.0625999674 0.0002530134
2754.4000000000 0.0644906430 0.0002645301
2761.6000000000 0.0889904842 0.0003521398
2768.8000000000 0.0915817749 0.0003678165
2776.0000000000 0.0942893344 0.0003844486
2783.2000000000 0.1334204067 0.0005244976
2790.4000000000 0.1372799873 0.0005478379
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