# IR Spectrum
# X-Axis:  Frequency (cm-1)
# Y-Axis:  &epsilon; (M-1 cm-1)

# Peak information
#                  X                   Y
#       5.5408000000     5176.6117627421
#      11.9243000000        0.0000000000
#      33.3311000000      294.3175651488
#      59.3201000000        0.0000000000
#      72.5355000000       81.5638733812
#      85.6360000000       31.6595178434
#     182.3784000000       36.5344335190
#     217.1695000000        0.0000000000
#     217.5926000000      177.9907444280
#     267.3563000000        0.0014921651
#     325.8053000000       54.8123020147
#     400.8943000000       29.6208758460
#     503.2738000000        2.8798401065
#     594.5938000000        1.8061839509
#     934.9269000000       55.3148661338
#     960.1656000000        8.2416706804
#     986.5033000000       12.3628443798
#    1043.5712000000      226.8055653144
#    1096.2987000000     3686.4269944993
#    1114.4314000000       30.5128037318
#    1121.7742000000        3.6495041581
#    1132.4084000000        0.0000000000
#    1139.3457000000      315.3367319426
#    1148.7620000000       66.2654992627
#    1158.0958000000       33.4671730243
#    1170.6754000000        0.0000000000
#    1175.8650000000      101.2653124670
#    1218.6486000000       38.4333287244
#    1218.8159000000       92.4567117589
#    1237.5552000000        0.0000000000
#    1242.7177000000        0.6914814193
#    1247.9602000000        0.0000000000
#    1418.2064000000      647.8465771186
#    1454.9420000000       20.4539485506
#    1487.1334000000        1.7198206094
#    1504.5801000000        0.0851132196
#    1514.4092000000       26.5457695022
#    1528.5967000000        0.0000000000
#    1528.6124000000       52.7647418432
#    1543.5322000000       14.1420993546
#    1545.6278000000       20.4873656047
#    1569.7162000000        0.0000000000
#    1580.3213000000        0.3978488612
#    1590.0912000000        8.4843845263
#    2910.3354000000       16.5583405884
#    2917.0798000000        2.4969634923
#    2929.2599000000      197.2055598887
#    2945.8526000000       66.6314162010
#    2947.3014000000        0.0000000000
#    2954.2031000000      423.9984144330
#    3005.5740000000      111.9420841721
#    3005.9047000000       47.6210592539
#    3063.6766000000        0.0000000000
#    3063.7689000000      178.7869234398
#    3179.0678000000       14.2267485688
#    3179.1114000000       31.3786043156

# Spectra
#                  X                   Y               DY/DX
     -500.0000000000        0.0000000000        0.0000000000
     -492.0000000000        0.0000000000        0.0000000000
     -484.0000000000        0.0000000000        0.0000000000
     -476.0000000000        0.0000000000        0.0000000000
     -468.0000000000        0.0000000000        0.0000000000
     -460.0000000000        0.0000000000        0.0000000000
     -452.0000000000        0.0000000000        0.0000000000
     -444.0000000000        0.0000000000        0.0000000000
     -436.0000000000        0.0000000000        0.0000000000
     -428.0000000000        0.0000000000        0.0000000000
     -420.0000000000        0.0000000000        0.0000000000
     -412.0000000000        0.0000000000        0.0000000000
     -404.0000000000        0.0000000000        0.0000000000
     -396.0000000000        0.0000000000        0.0000000000
     -388.0000000000        0.0000000000        0.0000000000
     -380.0000000000        0.0000000000        0.0000000000
     -372.0000000000        0.0000000000        0.0000000000
     -364.0000000000        0.0000000000        0.0000000000
     -356.0000000000        0.0000000000        0.0000000000
     -348.0000000000        0.0000000000        0.0000000000
     -340.0000000000        0.0000000000        0.0000000000
     -332.0000000000        0.0000000000        0.0000000000
     -324.0000000000        0.0000000000        0.0000000000
     -316.0000000000        0.0000000000        0.0000000000
     -308.0000000000        0.0000000000        0.0000000000
     -300.0000000000        0.0000000000        0.0000000000
     -292.0000000000        0.0000000000        0.0000000000
     -284.0000000000        0.0000000000        0.0000000000
     -276.0000000000        0.0000000000        0.0000000000
     -268.0000000000        0.0000000000        0.0000000000
     -260.0000000000        0.0000000000        0.0000000000
     -252.0000000000        0.0000000000        0.0000000000
     -244.0000000000        0.0000000000        0.0000000000
     -236.0000000000        0.0000000000        0.0000000000
     -228.0000000000        0.0000000000        0.0000000000
     -220.0000000000        0.0000000000        0.0000000000
     -212.0000000000        0.0000000000        0.0000000000
     -204.0000000000        0.0000000000        0.0000000000
     -196.0000000000        0.0000000000        0.0000000000
     -188.0000000000        0.0000000000        0.0000000000
     -180.0000000000        0.0000000000        0.0000000000
     -172.0000000000        0.0000000000        0.0000000000
     -164.0000000000        0.0000000000        0.0000000000
     -156.0000000000        0.0000000000        0.0000000000
     -148.0000000000        0.0168524480        0.0002193686
     -140.0000000000        0.0187546001        0.0002575284
     -132.0000000000        0.0209978579        0.0003050748
     -124.0000000000        0.0291585391        0.0004348191
     -116.0000000000        0.0329769544        0.0005234520
     -108.0000000000        0.0376027404        0.0006380563
     -100.0000000000        0.0432821451        0.0007889420
      -92.0000000000        0.0503635730        0.0009917742
      -84.0000000000        0.0626977595        0.0013138398
      -76.0000000000        0.0747244630        0.0017170709
      -68.0000000000        0.0922550348        0.0023276429
      -60.0000000000        0.1142236054        0.0032312030
      -52.0000000000        0.1453949660        0.0046828066
      -44.0000000000        0.1918796486        0.0071778313
      -36.0000000000        0.2659520934        0.0118693707
      -28.0000000000        0.3954402632        0.0218664160
      -20.0000000000        0.6553184784        0.0475084058
      -12.0000000000        1.3093023034        0.1363484411
       -4.0000000000        3.8296939127        0.6678460120
        4.0000000000       21.8153368673        3.6398973951
       12.0000000000        7.2054947635       -1.5144283872
       20.0000000000        2.5065493251       -0.1289716441
       28.0000000000        3.8811125118        0.6710636565
       36.0000000000        6.3818395027       -1.3806984293
       44.0000000000        1.4383276131       -0.1779396748
       52.0000000000        0.7813741557       -0.0264366524
       60.0000000000        0.8775184226        0.0546257095
       68.0000000000        2.6014098893        0.5594343028
       76.0000000000        3.4624224240       -0.6686561074
       84.0000000000        2.7249484735        0.2629485216
       92.0000000000        1.0104632014       -0.1720750268
      100.0000000000        0.4027993803       -0.0302962513
      108.0000000000        0.2606018841       -0.0100210353
      116.0000000000        0.2083150769       -0.0039776542
      124.0000000000        0.1889858107       -0.0011075224
      132.0000000000        0.1884953553        0.0009407749
      140.0000000000        0.2044033254        0.0031272737
      148.0000000000        0.2414609550        0.0064486052
      156.0000000000        0.3165428203        0.0132972513
      164.0000000000        0.4866000582        0.0333327850
      172.0000000000        1.0336442794        0.1361659274
      180.0000000000        4.6693709438        0.9562887855
      188.0000000000        2.5705778476       -0.4183471635
      196.0000000000        1.5945433104        0.0378307677
      204.0000000000        2.8890593506        0.3451581087
      212.0000000000       11.4837646026        2.6797754801
      220.0000000000       24.7222237092       -5.4439514982
      228.0000000000        4.3933743757       -0.7244956497
      236.0000000000        1.5771236064       -0.1574914163
      244.0000000000        0.8218421224       -0.0555315180
      252.0000000000        0.5191385485       -0.0248764944
      260.0000000000        0.3764706884       -0.0123648661
      268.0000000000        0.3058924067       -0.0059187284
      276.0000000000        0.2768916762       -0.0014495441
      284.0000000000        0.2826160189        0.0030417193
      292.0000000000        0.3318343811        0.0099854802
      300.0000000000        0.4646692335        0.0257693156
      308.0000000000        0.8336996773        0.0783453293
      316.0000000000        2.2905303228        0.3853136587
      324.0000000000       12.9321972704        2.4092857846
      332.0000000000        4.6319345784       -1.0370268529
      340.0000000000        1.2218140408       -0.1477462718
      348.0000000000        0.5775448774       -0.0407491408
      356.0000000000        0.3767594161       -0.0141787407
      364.0000000000        0.3134093393       -0.0026162717
      372.0000000000        0.3322378682        0.0079166488
      380.0000000000        0.4488282726        0.0305261712
      388.0000000000        0.9682972360        0.1257603061
      396.0000000000        4.1713957842        1.0078894146
      404.0000000000        6.4605044469       -1.5554737252
      412.0000000000        1.2169239438       -0.1890215810
      420.0000000000        0.4627128565       -0.0438415773
      428.0000000000        0.2464491864       -0.0162012975
      436.0000000000        0.1572155811       -0.0076454581
      444.0000000000        0.1118718651       -0.0041393559
      452.0000000000        0.0864902296       -0.0023774338
      460.0000000000        0.0720908083       -0.0012846070
      468.0000000000        0.0655223485       -0.0003465696
      476.0000000000        0.0675563659        0.0009971595
      484.0000000000        0.0867221758        0.0044839335
      492.0000000000        0.1615902634        0.0217140697
      500.0000000000        0.7702905638        0.1839624847
      508.0000000000        0.5403219824       -0.1294226997
      516.0000000000        0.1276992623       -0.0163002329
      524.0000000000        0.0589124030       -0.0042863636
      532.0000000000        0.0372322993       -0.0016564735
      540.0000000000        0.0281859712       -0.0007332477
      548.0000000000        0.0243695587       -0.0002551910
      556.0000000000        0.0239095533        0.0001478768
      564.0000000000        0.0210606647        0.0008271554
      572.0000000000        0.0325128722        0.0023038141
      580.0000000000        0.0684123083        0.0081981335
      588.0000000000        0.2530639613        0.0554248679
      596.0000000000        0.8303556521       -0.1295869388
      604.0000000000        0.1444558122       -0.0256944084
      612.0000000000        0.0483642927       -0.0051243438
      620.0000000000        0.0239765097       -0.0017538749
      628.0000000000        0.0144402444       -0.0007968285
      636.0000000000        0.0097414396       -0.0004288092
      644.0000000000        0.0070721401       -0.0002580512
      652.0000000000        0.0054027450       -0.0001680489
      660.0000000000        0.0042839767       -0.0001160320
      668.0000000000        0.0027543328       -0.0000748214
      676.0000000000        0.0022408216       -0.0000549203
      684.0000000000        0.0018585140       -0.0000414916
      692.0000000000        0.0015662626       -0.0000321053
      700.0000000000        0.0013378649       -0.0000253484
      708.0000000000        0.0011559951       -0.0000203615
      716.0000000000        0.0010088268       -0.0000166010
      724.0000000000        0.0008880647       -0.0000137121
      732.0000000000        0.0007877511       -0.0000114563
      740.0000000000        0.0007035179       -0.0000096693
      748.0000000000        0.0006321040       -0.0000082353
      756.0000000000        0.0000000000        0.0000000000
      764.0000000000        0.0000000000        0.0000000000
      772.0000000000        0.0000000000        0.0000000000
      780.0000000000        0.0298444536        0.0003850148
      788.0000000000        0.0331804523        0.0004513248
      796.0000000000        0.0371085627        0.0005337746
      804.0000000000        0.0462722457        0.0006951118
      812.0000000000        0.0523790701        0.0008374972
      820.0000000000        0.0597832065        0.0010216830
      828.0000000000        0.0756052847        0.0013490368
      836.0000000000        0.0876902922        0.0016893536
      844.0000000000        0.1029695324        0.0021559366
      852.0000000000        0.1226916228        0.0028138256
      860.0000000000        0.1487872370        0.0037731041
      868.0000000000        0.1843740534        0.0052301422
      876.0000000000        0.2347609450        0.0075584755
      884.0000000000        0.4383688867        0.0131409688
      892.0000000000        0.5707699372        0.0207817282
      900.0000000000        0.7917440743        0.0365143931
      908.0000000000        1.2130562519        0.0751452843
      916.0000000000        2.2065106363        0.2003691511
      924.0000000000        5.6493082460        0.8642340940
      932.0000000000       29.6335821497        6.9688460170
      940.0000000000       20.1088503607       -4.1119703582
      948.0000000000        7.5205796578       -0.3896871835
      956.0000000000        8.3145716419        0.7407529739
      964.0000000000        8.4658558731       -0.8590850396
      972.0000000000        6.2513812435        0.0379745624
      980.0000000000        8.6881394958        0.7049560579
      988.0000000000       15.7359135290       -1.4110087272
      996.0000000000        9.1912564343       -0.1202692046
     1004.0000000000        9.7554440578        0.1875858634
     1012.0000000000       11.9570483540        0.3709916338
     1020.0000000000       16.1805059456        0.7214630174
     1028.0000000000       25.5143021886        1.8830269154
     1036.0000000000       60.9922708606        9.7563791646
     1044.0000000000      224.0834665120       -9.9526935281
     1052.0000000000       67.1598250015       -6.0095248812
     1060.0000000000       54.9291758146        0.9995583536
     1068.0000000000       75.6871669278        4.3702540866
     1076.0000000000      136.1386214375       12.2931261386
     1084.0000000000      339.7823719461       49.2641096482
     1092.0000000000     1630.1223404755      405.2605511805
     1100.0000000000     1893.6139173062     -469.6770210535
     1108.0000000000      381.9789505928      -53.8395946871
     1116.0000000000      176.7415726869      -16.7704995734
     1124.0000000000      101.9045299370       -3.8215800238
     1132.0000000000      122.4045046044       12.8043415906
     1140.0000000000      348.0057021121      -23.1525745533
     1148.0000000000      147.1268634129       -4.4813698818
     1156.0000000000       79.5508730568        0.0864944923
     1164.0000000000       46.6863328281       -2.3566834184
     1172.0000000000       73.5286209522       12.3286735876
     1180.0000000000       64.7353874265      -12.8899193200
     1188.0000000000       22.6742457542       -1.6638564941
     1196.0000000000       16.2915662708       -0.2311536793
     1204.0000000000       18.1725528921        0.8993324696
     1212.0000000000       42.6758880089        7.6583590617
     1220.0000000000      131.8518329146      -17.8612366876
     1228.0000000000       26.6732433570       -4.0715321036
     1236.0000000000       11.3771796840       -0.8083152413
     1244.0000000000        7.6575152058       -0.4184152279
     1252.0000000000        5.2629333346       -0.1859034214
     1260.0000000000        2.5710939621       -0.0737106496
     1268.0000000000        2.1242681602       -0.0416890814
     1276.0000000000        1.8484574982       -0.0240257299
     1284.0000000000        1.7012714045       -0.0129038248
     1292.0000000000        1.6317607317       -0.0048062852
     1300.0000000000        1.4451765292        0.0045648433
     1308.0000000000        1.5060875569        0.0106855895
     1316.0000000000        1.5797949758        0.0177653331
     1324.0000000000        1.7327432602        0.0258792982
     1332.0000000000        1.9800787467        0.0361102339
     1340.0000000000        2.2610834860        0.0510322241
     1348.0000000000        2.7466183997        0.0717624951
     1356.0000000000        3.4620876357        0.1043765424
     1364.0000000000        4.4929908014        0.1581872558
     1372.0000000000        6.1508278280        0.2555684663
     1380.0000000000        8.7880953496        0.4499770646
     1388.0000000000       13.9342525356        0.8970856856
     1396.0000000000       25.2733278945        2.1881815887
     1404.0000000000       58.7834323165        7.6350344378
     1412.0000000000      233.9919158143       53.1956959239
     1420.0000000000      663.2404011482     -123.6809312918
     1428.0000000000      114.5979181301      -19.8702200077
     1436.0000000000       39.6936131447       -3.9783925497
     1444.0000000000       22.1003803204       -0.9159997561
     1452.0000000000       28.1852087316        3.3638885737
     1460.0000000000       17.7307389337       -2.7359527811
     1468.0000000000        8.1076022350       -0.4795593575
     1476.0000000000        5.8945281173       -0.1333158971
     1484.0000000000        6.1548000605        0.2824760486
     1492.0000000000        5.7172570964       -0.1485647284
     1500.0000000000        6.5668883748        0.3588102439
     1508.0000000000       14.7354195659        2.3959347364
     1516.0000000000       38.8672919747       -4.2169127870
     1524.0000000000       38.1197486273        6.6377113013
     1532.0000000000       47.7380747034       -9.6280798047
     1540.0000000000       29.3446300128        3.5337296006
     1548.0000000000       32.9737830084       -6.8610250283
     1556.0000000000        7.9865131676       -0.9728115156
     1564.0000000000        3.9827848700       -0.2380631379
     1572.0000000000        2.9594443781       -0.0339107093
     1580.0000000000        3.3000907072        0.2394687593
     1588.0000000000       10.1340016278        1.8285492276
     1596.0000000000        4.3399588328       -0.8770433964
     1604.0000000000        1.4052503593       -0.1339246435
     1612.0000000000        0.7871059761       -0.0439756336
     1620.0000000000        0.5272231373       -0.0211273466
     1628.0000000000        0.3973713262       -0.0124918802
     1636.0000000000        0.3159677545       -0.0082964432
     1644.0000000000        0.2598874617       -0.0059246226
     1652.0000000000        0.2175400916       -0.0044262866
     1660.0000000000        0.1863410978       -0.0034347166
     1668.0000000000        0.1617449784       -0.0027350702
     1676.0000000000        0.1206843426       -0.0019597138
     1684.0000000000        0.1064721649       -0.0016094604
     1692.0000000000        0.0528628771       -0.0008288995
     1700.0000000000        0.0468230554       -0.0006871438
     1708.0000000000        0.0139690545       -0.0002359834
     1716.0000000000        0.0122566230       -0.0001939547
     1724.0000000000        0.0108407728       -0.0001613411
     1732.0000000000        0.0096567775       -0.0001356475
     1740.0000000000        0.0086566492       -0.0001151318
     1748.0000000000        0.0074944248       -0.0000948601
     1756.0000000000        0.0000000000        0.0000000000
     1764.0000000000        0.0000000000        0.0000000000
     1772.0000000000        0.0000000000        0.0000000000
     1780.0000000000        0.0000000000        0.0000000000
     1788.0000000000        0.0000000000        0.0000000000
     1796.0000000000        0.0000000000        0.0000000000
     1804.0000000000        0.0000000000        0.0000000000
     1812.0000000000        0.0000000000        0.0000000000
     1820.0000000000        0.0000000000        0.0000000000
     1828.0000000000        0.0000000000        0.0000000000
     1836.0000000000        0.0000000000        0.0000000000
     1844.0000000000        0.0000000000        0.0000000000
     1852.0000000000        0.0000000000        0.0000000000
     1860.0000000000        0.0000000000        0.0000000000
     1868.0000000000        0.0000000000        0.0000000000
     1876.0000000000        0.0000000000        0.0000000000
     1884.0000000000        0.0000000000        0.0000000000
     1892.0000000000        0.0000000000        0.0000000000
     1900.0000000000        0.0000000000        0.0000000000
     1908.0000000000        0.0000000000        0.0000000000
     1916.0000000000        0.0000000000        0.0000000000
     1924.0000000000        0.0000000000        0.0000000000
     1932.0000000000        0.0000000000        0.0000000000
     1940.0000000000        0.0000000000        0.0000000000
     1948.0000000000        0.0000000000        0.0000000000
     1956.0000000000        0.0000000000        0.0000000000
     1964.0000000000        0.0000000000        0.0000000000
     1972.0000000000        0.0000000000        0.0000000000
     1980.0000000000        0.0000000000        0.0000000000
     1988.0000000000        0.0000000000        0.0000000000
     1996.0000000000        0.0000000000        0.0000000000
     2004.0000000000        0.0000000000        0.0000000000
     2012.0000000000        0.0000000000        0.0000000000
     2020.0000000000        0.0000000000        0.0000000000
     2028.0000000000        0.0000000000        0.0000000000
     2036.0000000000        0.0000000000        0.0000000000
     2044.0000000000        0.0000000000        0.0000000000
     2052.0000000000        0.0000000000        0.0000000000
     2060.0000000000        0.0000000000        0.0000000000
     2068.0000000000        0.0000000000        0.0000000000
     2076.0000000000        0.0000000000        0.0000000000
     2084.0000000000        0.0000000000        0.0000000000
     2092.0000000000        0.0000000000        0.0000000000
     2100.0000000000        0.0000000000        0.0000000000
     2108.0000000000        0.0000000000        0.0000000000
     2116.0000000000        0.0000000000        0.0000000000
     2124.0000000000        0.0000000000        0.0000000000
     2132.0000000000        0.0000000000        0.0000000000
     2140.0000000000        0.0000000000        0.0000000000
     2148.0000000000        0.0000000000        0.0000000000
     2156.0000000000        0.0000000000        0.0000000000
     2164.0000000000        0.0000000000        0.0000000000
     2172.0000000000        0.0000000000        0.0000000000
     2180.0000000000        0.0000000000        0.0000000000
     2188.0000000000        0.0000000000        0.0000000000
     2196.0000000000        0.0000000000        0.0000000000
     2204.0000000000        0.0000000000        0.0000000000
     2212.0000000000        0.0000000000        0.0000000000
     2220.0000000000        0.0000000000        0.0000000000
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