##TITLE=1000196
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/1000196.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
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##LASTX=1303.531
##XFACTOR=1
##YFACTOR=1
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##LASTY=0.0000000E+00
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148.8618,171.1582 149.3439,202.3525 149.8260,221.9336 150.3082,218.1396 
150.7903,217.9746 151.2724,222.1611 151.7545,227.1943 152.2366,233.0586 
152.7188,222.3203 153.2009,187.4932 153.6830,155.6836 154.1651,127.4141 
154.6472,98.52051 155.1293,73.12305 155.6115,50.04004 156.0936,29.46582 
156.5757,15.31152 157.0578,6.036133 157.5399,0.3857420 158.0220,1.812500 
158.5042,2.536133 158.9863,6.005859 159.4684,14.63965 159.9505,13.80078 
160.4326,11.40332 160.9147,47.44824 161.3969,74.13477 161.8790,71.23633 
162.3611,66.93555 162.8432,78.69629 163.3253,113.2988 163.8074,148.1758 
164.2896,170.0439 164.7717,185.2539 165.2538,205.1738 165.7359,241.8828 
166.2180,281.3906 166.7001,312.6045 167.1823,329.7480 167.6644,342.6377 
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214.4297,59.38184 214.9118,53.73633 215.3939,49.77734 215.8760,45.09082 
216.3581,38.13281 216.8403,33.45996 217.3224,34.11816 217.8045,44.30664 
218.2866,49.93750 218.7687,47.61621 219.2508,40.20703 219.7330,36.43848 
220.2151,38.11426 220.6972,39.61328 221.1793,37.41797 221.6614,28.12402 
222.1435,23.90430 222.6257,27.96973 223.1078,36.19141 223.5899,36.64844 
224.0720,24.60352 224.5541,12.53809 225.0362,6.357422 225.5184,8.997070 
226.0005,10.76465 226.4826,11.27734 226.9647,11.18652 227.4468,12.65820 
227.9289,18.21875 228.4111,21.89648 228.8932,20.07715 229.3753,7.928711 
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231.7859,22.79395 232.2680,21.05371 232.7501,25.50879 233.2322,39.25977 
233.7143,51.81836 234.1965,62.35547 234.6786,71.79297 235.1607,82.95020 
235.6428,96.15137 236.1249,110.2646 236.6070,124.7295 237.0892,139.3584 
237.5713,154.2793 238.0534,168.8203 238.5355,183.6006 239.0176,201.0859 
239.4997,226.0264 239.9819,247.2012 240.4640,258.2500 240.9461,251.3574 
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252.9990,236.9111 253.4811,223.5127 253.9632,209.3203 254.4454,195.0850 
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312.7815,119.1230 313.2636,115.4326 313.7457,108.5029 314.2278,104.8564 
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318.5669,121.1582 319.0490,121.0498 319.5311,112.4287 320.0132,94.56250 
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399.5625,34.08203 400.0446,33.39160 400.5267,38.69141 401.0088,38.19336 
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501.7712,33.00977 502.2533,27.95703 502.7354,28.74219 503.2176,43.31738 
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542.2690,53.12891 542.7512,70.01367 543.2333,79.14355 543.7154,65.01758 
544.1975,47.84961 544.6796,45.29102 545.1617,54.54492 545.6439,63.17676 
546.1260,67.14551 546.6081,67.55957 547.0902,64.24609 547.5723,56.08008 
548.0544,49.28223 548.5366,44.66406 549.0187,41.86328 549.5008,40.56543 
549.9829,41.19531 550.4650,43.02637 550.9471,47.88672 551.4293,52.97656 
551.9114,50.50684 552.3935,38.78711 552.8756,27.71680 553.3577,19.99902 
553.8398,15.99609 554.3220,19.95508 554.8041,32.21484 555.2862,42.58887 
555.7683,39.93066 556.2504,30.27344 556.7325,26.38867 557.2147,30.79395 
557.6968,36.20898 558.1789,36.19336 558.6610,33.30273 559.1431,31.31348 
559.6252,33.93848 560.1074,35.15039 560.5895,29.91602 561.0716,20.95605 
561.5537,17.16699 562.0358,24.75391 562.5179,33.48535 563.0001,40.43359 
563.4822,45.69629 563.9643,49.36719 564.4464,50.57324 564.9285,51.09082 
565.4106,52.41504 565.8928,54.93457 566.3749,56.26172 566.8570,56.00293 
567.3391,54.49707 567.8212,51.08887 568.3033,46.23828 568.7855,43.81934 
569.2676,45.99316 569.7497,51.13184 570.2318,57.96582 570.7139,65.88281 
571.1960,72.63281 571.6782,79.38672 572.1603,82.49414 572.6424,76.31055 
573.1245,59.50391 573.6066,46.96289 574.0887,46.13477 574.5709,50.60352 
575.0530,55.31348 575.5351,63.92871 576.0172,66.76758 576.4993,61.17969 
576.9814,51.37012 577.4636,43.46191 577.9457,37.23047 578.4278,33.23242 
578.9099,31.61133 579.3920,32.37207 579.8741,37.38184 580.3563,47.11133 
580.8384,54.39648 581.3205,52.16699 581.8026,44.24707 582.2847,42.91602 
582.7668,48.57422 583.2490,54.16211 583.7311,52.87793 584.2131,48.29297 
584.6953,44.89746 585.1774,43.90039 585.6595,43.95312 586.1416,44.47461 
586.6237,45.63574 587.1058,47.70508 587.5880,52.64355 588.0701,56.47168 
588.5522,58.27832 589.0343,58.26562 589.5164,56.63965 589.9985,51.03418 
590.4807,47.85938 590.9628,51.20801 591.4449,61.16016 591.9270,64.50000 
592.4091,60.18066 592.8912,53.33887 593.3734,46.80664 593.8555,41.20215 
594.3376,41.18750 594.8197,48.93262 595.3018,56.02637 595.7839,51.76953 
596.2661,40.49414 596.7482,30.41699 597.2303,24.42969 597.7124,21.14160 
598.1945,21.18164 598.6766,23.60059 599.1588,25.33008 599.6409,26.91699 
600.1230,26.52441 600.6051,21.24219 601.0872,10.43750 601.5693,7.611328 
602.0515,17.86328 602.5336,29.02344 603.0157,33.03223 603.4978,28.24023 
603.9799,25.54688 604.4620,25.22363 604.9442,26.51855 605.4263,29.48242 
605.9084,33.58398 606.3905,35.59570 606.8726,33.63574 607.3547,31.46484 
607.8369,34.84180 608.3190,41.78906 608.8011,47.41504 609.2832,47.64941 
609.7653,47.15234 610.2474,48.73438 610.7296,52.17578 611.2117,55.56250 
611.6938,60.56641 612.1759,63.36230 612.6580,61.09082 613.1401,51.81543 
613.6223,45.95996 614.1044,46.12305 614.5865,46.33594 615.0686,39.69629 
615.5507,24.69531 616.0328,18.49414 616.5150,25.39941 616.9971,35.76562 
617.4792,33.90918 617.9613,22.38379 618.4434,12.61426 618.9255,10.04492 
619.4077,9.373047 619.8898,4.069336 620.3719,4.457031 620.8540,11.94141 
621.3361,16.27344 621.8182,18.77734 622.3004,19.58594 622.7825,18.75781 
623.2646,18.38281 623.7467,21.05273 624.2288,22.53613 624.7109,20.81543 
625.1931,15.49902 625.6752,8.342773 626.1573,1.854492 626.6394,11.61816 
627.1215,17.14062 627.6036,18.29102 628.0858,17.79883 628.5679,15.40625 
629.0500,13.06055 629.5321,15.46582 630.0142,20.74023 630.4963,22.80469 
630.9785,16.15820 631.4606,8.540039 631.9427,6.029297 632.4248,8.138672 
632.9069,13.13672 633.3890,25.67871 633.8712,36.21582 634.3533,38.42480 
634.8354,31.17285 635.3175,30.47363 635.7996,42.10547 636.2817,54.17773 
636.7639,59.52051 637.2460,55.83105 637.7281,56.25293 638.2102,61.18066 
638.6923,68.41992 639.1744,77.51172 639.6566,87.39648 640.1387,92.30371 
640.6208,90.60938 641.1029,85.15430 641.5850,76.94922 642.0671,67.69141 
642.5493,60.55078 643.0314,59.58203 643.5135,58.78027 643.9956,55.15723 
644.4777,49.44336 644.9598,43.68652 645.4420,37.83008 645.9241,32.95020 
646.4062,29.98047 646.8883,28.88965 647.3704,25.52637 647.8525,17.22168 
648.3347,12.66504 648.8168,20.02637 649.2989,38.72656 649.7810,47.66602 
650.2631,46.04297 650.7452,40.04883 651.2274,32.25391 651.7095,24.91797 
652.1916,23.51855 652.6737,30.30859 653.1558,37.90723 653.6379,40.27246 
654.1201,40.31934 654.6022,41.87402 655.0843,48.85547 655.5664,54.15234 
656.0485,55.98730 656.5306,54.98242 657.0128,52.33203 657.4949,45.68652 
657.9770,41.92090 658.4591,43.33008 658.9412,48.75781 659.4233,54.21582 
659.9055,60.10254 660.3876,63.45508 660.8697,61.62402 661.3518,56.29004 
661.8339,50.26758 662.3160,43.88379 662.7982,40.39258 663.2803,46.25391 
663.7624,53.72266 664.2445,54.03125 664.7266,44.58691 665.2087,37.62207 
665.6909,39.30566 666.1730,43.92676 666.6551,46.60742 667.1372,44.28516 
667.6193,45.10254 668.1014,50.54688 668.5836,57.50195 669.0657,61.89062 
669.5478,63.56543 670.0299,63.52148 670.5120,62.00000 670.9941,58.93555 
671.4763,52.63086 671.9584,44.34473 672.4405,38.68555 672.9226,38.97656 
673.4047,41.74023 673.8868,44.52246 674.3690,47.42773 674.8511,50.52344 
675.3332,53.52930 675.8153,56.97754 676.2974,61.24707 676.7795,66.40234 
677.2617,71.38184 677.7438,76.30078 678.2259,80.38379 678.7080,82.33887 
679.1901,82.03027 679.6722,86.42578 680.1544,96.04004 680.6365,108.4014 
681.1186,121.2354 681.6007,134.7617 682.0828,151.0049 682.5649,170.7168 
683.0471,190.9600 683.5292,206.9346 684.0113,222.6660 684.4934,242.4404 
684.9755,271.9863 685.4576,298.6025 685.9398,314.4062 686.4219,326.9375 
686.9040,348.2549 687.3861,379.2783 687.8682,418.0381 688.3503,466.4473 
688.8325,520.8965 689.3146,572.1387 689.7967,620.1553 690.2788,664.8584 
690.7609,710.4219 691.2430,749.5439 691.7252,767.2881 692.2073,766.5850 
692.6894,757.9629 693.1715,745.9844 693.6536,729.3311 694.1357,704.4102 
694.6179,671.5322 695.1000,641.5322 695.5821,621.9990 696.0642,601.3447 
696.5463,574.0674 697.0284,537.9619 697.5106,504.8115 697.9927,474.7285 
698.4748,447.5889 698.9569,421.7354 699.4390,398.0488 699.9211,385.1240 
700.4033,384.4473 700.8854,388.7139 701.3675,395.0859 701.8496,400.4277 
702.3317,399.6211 702.8138,391.1582 703.2960,377.4512 703.7781,357.9443 
704.2602,334.4150 704.7423,309.0498 705.2244,278.4023 705.7065,250.2891 
706.1887,222.9023 706.6708,199.5029 707.1529,186.6553 707.6350,186.1855 
708.1171,184.0996 708.5992,176.3936 709.0814,165.4043 709.5635,154.2656 
710.0456,143.5732 710.5277,136.3633 711.0098,139.3369 711.4919,142.4590 
711.9741,136.9863 712.4562,124.2139 712.9383,109.0850 713.4204,87.80078 
713.9025,69.92480 714.3846,61.70215 714.8668,62.46777 715.3489,59.85352 
715.8310,52.90137 716.3131,43.77930 716.7952,32.10059 717.2773,18.50195 
717.7595,9.930664 718.2416,6.423828 718.7237,7.804688 719.2058,19.21875 
719.6879,33.45312 720.1700,37.23535 720.6522,28.73535 721.1343,20.49023 
721.6164,21.00293 722.0985,24.03027 722.5806,23.99609 723.0627,16.78906 
723.5449,14.62207 724.0270,22.85254 724.5091,31.71289 724.9912,31.02051 
725.4733,18.42676 725.9554,9.670898 726.4376,6.015625 726.9197,6.606445 
727.4018,12.90332 727.8839,22.80664 728.3660,29.60645 728.8481,30.87891 
729.3303,30.36230 729.8124,31.18457 730.2945,32.46387 730.7766,33.47949 
731.2587,33.13184 731.7408,32.15332 732.2230,29.49219 732.7051,26.12598 
733.1872,24.95020 733.6693,28.28223 734.1514,28.22656 734.6335,21.04297 
735.1157,11.16309 735.5978,12.04004 736.0799,22.26953 736.5620,29.76758 
737.0441,26.65039 737.5262,19.90430 738.0084,16.90918 738.4905,16.84863 
738.9726,17.31055 739.4547,14.88867 739.9368,14.96973 740.4189,23.20117 
740.9011,38.38965 741.3832,42.78906 741.8653,29.48340 742.3474,17.76465 
742.8295,16.97070 743.3116,25.14844 743.7938,26.47266 744.2759,20.67090 
744.7580,14.76562 745.2401,14.28027 745.7222,16.62207 746.2043,19.39453 
746.6865,22.28027 747.1686,20.90430 747.6507,6.540039 748.1328,7.834961 
748.6149,12.16992 749.0970,2.218750 749.5792,2.685547 750.0613,1.130859 
750.5434,5.973633 751.0255,6.972656 751.5076,3.781250 751.9897,0.2041020 
752.4719,5.502930 752.9540,8.018555 753.4361,0.6201170 753.9182,13.93262 
754.4003,18.08203 754.8824,10.53711 755.3646,0.3496090 755.8467,10.01562 
756.3288,18.18164 756.8109,21.11914 757.2930,13.59375 757.7751,11.28906 
758.2573,19.75781 758.7394,29.31641 759.2215,29.78027 759.7036,19.45215 
760.1857,11.68945 760.6678,7.457031 761.1500,7.102539 761.6321,14.38281 
762.1142,25.75293 762.5963,32.30957 763.0784,30.85156 763.5605,26.85059 
764.0427,20.57129 764.5248,15.32715 765.0069,15.28516 765.4890,28.65039 
765.9711,37.66211 766.4532,41.18945 766.9354,39.98926 767.4175,33.82422 
767.8996,21.41895 768.3817,12.88184 768.8638,10.59570 769.3459,11.46191 
769.8281,11.18359 770.3102,10.10156 770.7923,9.097656 771.2744,8.778320 
771.7565,8.140625 772.2386,3.812500 772.7208,0.8320310 773.2029,8.8867001E-02 
773.6850,16.56348 774.1671,27.44727 774.6492,27.23535 775.1313,20.88281 
775.6135,18.95508 776.0956,21.96387 776.5777,25.56738 777.0598,29.11523 
777.5419,31.78809 778.0240,30.60352 778.5062,27.16797 778.9883,26.56055 
779.4704,35.18066 779.9525,43.20508 780.4346,43.74316 780.9167,39.13867 
781.3989,35.19824 781.8810,31.90234 782.3631,31.18848 782.8452,35.69336 
783.3273,42.34375 783.8094,40.47070 784.2916,29.04980 784.7737,20.10547 
785.2558,18.54297 785.7379,21.20508 786.2200,25.37988 786.7021,29.34375 
787.1843,27.18066 787.6664,8.399414 788.1485,9.846680 788.6306,18.24219 
789.1127,18.20801 789.5948,15.01172 790.0770,7.282227 790.5591,0.5419920 
791.0412,7.725586 791.5233,14.05176 792.0054,18.36719 792.4875,20.48828 
792.9697,23.14160 793.4518,29.51758 793.9339,35.33984 794.4160,29.52246 
794.8981,16.42578 795.3802,10.59863 795.8624,30.86719 796.3445,48.16309 
796.8266,44.14551 797.3087,23.80566 797.7908,14.81250 798.2729,24.62109 
798.7551,33.02930 799.2372,34.20996 799.7193,29.93750 800.2014,25.34082 
800.6835,20.66211 801.1656,17.80762 801.6478,17.33301 802.1299,19.54492 
802.6120,26.63477 803.0941,36.92188 803.5762,45.06836 804.0583,47.81641 
804.5405,48.86230 805.0226,47.74219 805.5047,45.56250 805.9868,47.31543 
806.4689,55.02734 806.9510,61.70898 807.4332,63.90234 807.9153,62.68945 
808.3974,61.27734 808.8795,59.83887 809.3616,58.17480 809.8438,58.06250 
810.3259,56.06055 810.8080,45.31836 811.2901,29.92188 811.7722,22.30078 
812.2543,36.72754 812.7365,48.83105 813.2186,51.00293 813.7007,46.13770 
814.1828,46.93066 814.6649,54.08105 815.1470,60.33398 815.6292,63.02246 
816.1113,63.08105 816.5934,60.87207 817.0755,57.41406 817.5576,54.64648 
818.0397,56.11426 818.5219,57.26270 819.0040,55.18945 819.4861,50.95117 
819.9682,47.96777 820.4503,46.24316 820.9324,46.41895 821.4146,49.36621 
821.8967,53.88574 822.3788,57.37891 822.8609,59.88379 823.3430,60.94336 
823.8251,60.98828 824.3073,58.44141 824.7894,48.26465 825.2715,34.36719 
825.7536,24.73438 826.2357,26.26367 826.7178,28.04004 827.2000,25.90234 
827.6821,22.20020 828.1642,21.91016 828.6463,26.31836 829.1284,30.44141 
829.6105,33.62695 830.0927,35.50098 830.5748,33.87207 831.0569,30.01758 
831.5390,28.32324 832.0211,31.63281 832.5032,35.19141 832.9854,34.79883 
833.4675,32.59863 833.9496,31.83105 834.4317,33.25098 834.9138,36.29492 
835.3959,42.31348 835.8781,48.50586 836.3602,49.56543 836.8423,45.47949 
837.3244,44.30078 837.8065,48.14355 838.2886,53.02637 838.7708,54.57422 
839.2529,53.83984 839.7350,52.17285 840.2171,47.85449 840.6992,46.76953 
841.1813,53.52734 841.6635,62.87695 842.1456,69.85352 842.6277,75.31934 
843.1098,74.99707 843.5919,67.75977 844.0740,57.37305 844.5562,47.19238 
845.0383,37.70312 845.5204,29.98730 846.0025,23.43359 846.4846,19.63477 
846.9667,24.29785 847.4489,30.49121 847.9310,31.49609 848.4131,24.06543 
848.8952,16.55078 849.3773,6.358398 849.8594,0.1367190 850.3416,5.141602 
850.8237,21.57617 851.3058,25.65918 851.7879,15.77441 852.2700,5.727539 
852.7521,9.730469 853.2343,18.33984 853.7164,19.53711 854.1985,11.70508 
854.6806,5.883789 855.1627,5.738281 855.6448,8.674805 856.1270,14.10547 
856.6091,22.08887 857.0912,27.22070 857.5733,28.94531 858.0554,30.02832 
858.5375,33.60840 859.0197,37.31738 859.5018,34.35449 859.9839,25.86328 
860.4660,19.09961 860.9481,18.73926 861.4302,20.51367 861.9124,23.04883 
862.3945,26.02148 862.8766,27.18066 863.3587,25.44629 863.8408,24.90918 
864.3229,28.08008 864.8051,32.86328 865.2872,31.12109 865.7693,24.23926 
866.2514,20.34961 866.7335,28.76758 867.2156,36.50977 867.6978,30.05273 
868.1799,15.48633 868.6620,6.644531 869.1441,11.85938 869.6262,16.53125 
870.1083,19.31152 870.5905,20.16602 871.0726,18.04395 871.5547,13.06348 
872.0368,11.31152 872.5189,15.88379 873.0010,19.87207 873.4832,11.82031 
873.9653,1.294922 874.4474,7.717773 874.9295,0.7539060 875.4116,7.340820 
875.8937,5.894531 876.3759,2.274414 876.8580,2.205078 877.3401,6.818359 
877.8222,8.141602 878.3043,4.272461 878.7864,1.281250 879.2686,8.796875 
879.7507,20.54688 880.2328,23.91797 880.7149,16.30176 881.1970,9.520508 
881.6791,11.61133 882.1613,15.05957 882.6434,14.38281 883.1255,9.017578 
883.6076,4.125977 884.0897,0.4072270 884.5718,3.430664 885.0540,3.183594 
885.5361,0.9697270 886.0182,1.022461 886.5003,3.104492 886.9824,5.296875 
887.4645,8.120117 887.9467,9.351563 888.4288,8.069336 888.9109,4.173828 
889.3930,2.656250 889.8751,14.69141 890.3572,24.47559 890.8394,30.46094 
891.3215,32.57422 891.8036,27.10449 892.2857,15.48730 892.7678,6.342773 
893.2499,4.273438 893.7321,5.156250 894.2142,6.747070 894.6963,9.082031 
895.1784,12.15527 895.6605,18.13672 896.1426,21.81445 896.6248,22.03613 
897.1069,20.80762 897.5890,20.91992 898.0711,22.28418 898.5532,24.04297 
899.0353,26.03320 899.5175,28.16016 899.9996,29.04102 900.4817,30.61816 
900.9638,35.98242 901.4459,48.88379 901.9280,55.81836 902.4102,51.31152 
902.8923,45.57617 903.3744,46.61816 903.8565,54.57812 904.3386,56.78711 
904.8207,53.03711 905.3029,48.95020 905.7850,52.10840 906.2671,55.29199 
906.7492,47.38281 907.2313,29.20801 907.7134,17.89453 908.1956,26.38086 
908.6777,34.02637 909.1598,32.78516 909.6419,25.19727 910.1240,24.74707 
910.6061,32.06641 911.0883,38.47656 911.5704,41.16113 912.0525,41.39941 
912.5346,40.74902 913.0167,39.29102 913.4988,36.61719 913.9810,28.35840 
914.4631,23.29004 914.9452,24.29980 915.4273,29.07227 915.9094,35.78613 
916.3915,44.54395 916.8737,48.69141 917.3558,47.26660 917.8379,45.64551 
918.3200,52.55371 918.8021,61.91309 919.2842,64.11230 919.7664,55.77734 
920.2485,48.95898 920.7306,48.15527 921.2127,49.29297 921.6948,50.16211 
922.1769,50.71777 922.6591,49.94727 923.1412,47.39941 923.6233,47.57422 
924.1054,57.42676 924.5875,69.75098 925.0696,74.24805 925.5518,71.62500 
926.0339,67.16699 926.5160,63.10059 926.9981,57.27930 927.4802,45.79102 
927.9623,32.93066 928.4445,34.82812 928.9266,53.22070 929.4087,64.35449 
929.8908,59.56836 930.3729,48.00977 930.8550,39.22070 931.3372,33.21387 
931.8193,30.57715 932.3014,35.62207 932.7835,37.14941 933.2656,29.32910 
933.7477,18.45605 934.2299,8.778320 934.7120,9.9609002E-02 935.1941,1.156250 
935.6762,6.569336 936.1583,16.75098 936.6404,26.10156 937.1226,32.99902 
937.6047,32.70117 938.0868,24.81543 938.5689,21.86914 939.0510,34.85254 
939.5331,45.83398 940.0153,47.91504 940.4974,41.84668 940.9795,31.24707 
941.4616,15.82129 941.9437,7.300781 942.4258,16.10059 942.9080,28.80957 
943.3901,28.91895 943.8722,20.48438 944.3543,12.30078 944.8364,4.569336 
945.3185,1.456055 945.8007,6.644531 946.2828,14.18555 946.7649,16.47656 
947.2470,13.21777 947.7291,6.445313 948.2112,4.220703 948.6934,11.68066 
949.1755,6.037109 949.6576,4.500000 950.1397,10.80469 950.6218,10.84180 
951.1039,10.91602 951.5861,11.65430 952.0682,12.74121 952.5503,13.46680 
953.0324,14.31738 953.5145,20.49902 953.9966,31.37109 954.4788,39.30957 
954.9609,37.44824 955.4430,33.35449 955.9251,33.95410 956.4072,37.12109 
956.8893,36.71094 957.3715,27.03711 957.8536,22.93848 958.3357,29.25488 
958.8178,37.49902 959.2999,31.21289 959.7820,14.11719 960.2642,4.192383 
960.7463,5.420898 961.2284,9.600586 961.7105,11.45312 962.1926,13.01465 
962.6747,16.27051 963.1569,21.84668 963.6390,27.01855 964.1211,32.45996 
964.6032,35.72949 965.0853,34.37500 965.5674,29.96289 966.0496,28.21777 
966.5317,28.15820 967.0138,24.79785 967.4959,6.896484 967.9780,5.615234 
968.4601,4.727539 968.9423,26.04199 969.4244,29.88477 969.9065,11.11133 
970.3886,2.823242 970.8707,7.240234 971.3528,6.011719 971.8350,0.4658200 
972.3171,5.847656 972.7992,4.699219 973.2813,8.177734 973.7634,15.05469 
974.2455,1.261719 974.7277,12.70020 975.2098,12.48828 975.6919,1.803711 
976.1740,0.5234380 976.6561,16.04785 977.1382,31.83984 977.6204,36.41992 
978.1025,36.92285 978.5846,40.93164 979.0667,47.79102 979.5488,55.54688 
980.0309,68.14453 980.5131,74.91016 980.9952,72.91504 981.4773,65.63672 
981.9594,56.62500 982.4415,46.63770 982.9236,43.90820 983.4058,51.27148 
983.8879,57.04883 984.3700,48.67188 984.8521,35.80176 985.3342,27.02441 
985.8163,23.90234 986.2985,24.36719 986.7806,31.04004 987.2627,35.32031 
987.7448,31.83398 988.2269,23.16309 988.7090,15.78125 989.1912,10.04980 
989.6733,7.050781 990.1554,9.132813 990.6375,12.47266 991.1196,17.26465 
991.6017,21.47461 992.0839,20.94824 992.5660,13.77637 993.0481,9.771484 
993.5302,10.63184 994.0123,13.32422 994.4944,14.92383 994.9766,15.88379 
995.4587,15.96289 995.9408,14.71191 996.4229,16.90234 996.9050,30.52832 
997.3871,40.62793 997.8693,39.91895 998.3514,30.20410 998.8335,21.45117 
999.3156,13.76562 999.7977,8.904297 1000.280,8.978516 1000.762,11.03418 
1001.244,13.77344 1001.726,16.35645 1002.208,17.35645 1002.690,17.54199 
1003.173,14.07031 1003.655,4.783203 1004.137,3.301758 1004.619,1.054688 
1005.101,8.350586 1005.583,13.33301 1006.065,12.94824 1006.547,12.46387 
1007.029,14.27441 1007.512,19.02441 1007.994,29.80859 1008.476,43.61133 
1008.958,45.25684 1009.440,31.78613 1009.922,24.44824 1010.404,31.80078 
1010.886,43.38770 1011.369,45.53320 1011.851,41.64355 1012.333,37.37598 
1012.815,34.49707 1013.297,31.05664 1013.779,26.06250 1014.261,21.72461 
1014.743,20.19531 1015.225,21.33887 1015.708,19.66406 1016.190,15.58691 
1016.672,14.29297 1017.154,23.01172 1017.636,32.02344 1018.118,33.47754 
1018.600,29.37109 1019.082,26.64453 1019.565,24.67969 1020.047,26.14746 
1020.529,31.96484 1021.011,39.59570 1021.493,47.17578 1021.975,53.54102 
1022.457,56.33301 1022.939,55.04395 1023.421,50.78320 1023.904,41.55176 
1024.386,31.72070 1024.868,22.27051 1025.350,13.74707 1025.832,13.63770 
1026.314,22.82129 1026.796,27.48340 1027.278,16.90918 1027.760,4.969727 
1028.243,9.005859 1028.725,20.18164 1029.207,23.84180 1029.689,10.61621 
1030.171,1.352539 1030.653,3.286133 1031.135,5.747070 1031.617,5.496094 
1032.100,3.298828 1032.582,8.623047 1033.064,21.01660 1033.546,27.56250 
1034.028,19.11426 1034.510,4.224609 1034.992,17.98242 1035.474,42.19238 
1035.957,50.88965 1036.439,43.26074 1036.921,36.98047 1037.403,36.74414 
1037.885,37.45996 1038.367,31.23633 1038.849,23.66602 1039.331,21.98438 
1039.813,28.51465 1040.296,36.25391 1040.778,43.69434 1041.260,54.04395 
1041.742,71.18652 1042.224,91.66113 1042.706,103.7148 1043.188,108.0244 
1043.670,108.2275 1044.152,104.9619 1044.635,98.91309 1045.117,87.38379 
1045.599,74.62793 1046.081,66.82129 1046.563,64.95605 1047.045,58.00098 
1047.527,44.56934 1048.009,34.87891 1048.492,41.65039 1048.974,54.67969 
1049.456,61.83105 1049.938,63.59570 1050.420,73.28320 1050.902,95.50391 
1051.384,117.6826 1051.866,131.2891 1052.349,151.6787 1052.831,209.2852 
1053.313,297.7002 1053.795,400.3789 1054.277,512.6855 1054.759,637.3398 
1055.241,782.2578 1055.723,933.9336 1056.205,1081.866 1056.688,1226.301 
1057.170,1376.833 1057.652,1534.164 1058.134,1717.044 1058.616,1912.867 
1059.098,2165.471 1059.580,2518.780 1060.062,2957.396 1060.544,3455.975 
1061.027,4020.035 1061.509,4618.015 1061.991,5228.590 1062.473,5921.688 
1062.955,6820.820 1063.437,7831.903 1063.919,8963.489 1064.401,10114.05 
1064.884,10583.22 1065.366,9840.916 1065.848,8548.823 1066.330,6723.627 
1066.812,4694.294 1067.294,3163.203 1067.776,2122.511 1068.258,1387.009 
1068.740,948.7305 1069.223,675.0723 1069.705,530.0068 1070.187,449.0273 
1070.669,380.3936 1071.151,319.5957 1071.633,275.5479 1072.115,249.7754 
1072.597,231.8047 1073.079,218.2217 1073.562,207.3555 1074.044,192.2002 
1074.526,178.7236 1075.008,178.4863 1075.490,209.5215 1075.972,226.1963 
1076.454,216.7324 1076.936,206.2773 1077.419,216.0498 1077.901,242.0732 
1078.383,263.3154 1078.865,281.6963 1079.347,310.9561 1079.829,364.0850 
1080.311,423.7900 1080.793,481.1768 1081.275,540.7734 1081.758,608.4570 
1082.240,684.3701 1082.722,774.1045 1083.204,878.6523 1083.686,996.7607 
1084.168,1124.162 1084.650,1270.073 1085.132,1445.176 1085.615,1650.745 
1086.097,1873.165 1086.579,2115.286 1087.061,2364.817 1087.543,2615.587 
1088.025,2871.525 1088.507,3168.019 1088.989,3458.571 1089.471,3667.380 
1089.953,3788.562 1090.436,3779.701 1090.918,3586.441 1091.400,3324.272 
1091.882,3038.493 1092.364,2732.538 1092.846,2410.529 1093.328,2079.537 
1093.810,1761.049 1094.293,1448.373 1094.775,1173.386 1095.257,955.8076 
1095.739,779.2627 1096.221,624.4619 1096.703,489.9473 1097.185,390.4277 
1097.667,326.1592 1098.150,278.3115 1098.632,238.7285 1099.114,205.1445 
1099.596,175.8887 1100.078,150.8633 1100.560,129.8701 1101.042,113.9268 
1101.524,97.88086 1102.006,80.16016 1102.489,65.11035 1102.971,57.89258 
1103.453,56.75977 1103.935,60.61914 1104.417,68.69727 1104.899,69.72168 
1105.381,53.43555 1105.863,42.47656 1106.345,45.43066 1106.828,53.86719 
1107.310,47.44336 1107.792,31.35645 1108.274,21.51367 1108.756,21.58105 
1109.238,24.20605 1109.720,27.85352 1110.202,30.85254 1110.685,31.88086 
1111.167,31.31445 1111.649,32.71777 1112.131,35.76074 1112.613,36.54199 
1113.095,30.08496 1113.577,24.83984 1114.059,30.26562 1114.542,37.98926 
1115.024,37.50000 1115.506,26.25391 1115.988,18.37207 1116.470,13.83594 
1116.952,12.28711 1117.434,14.25684 1117.916,18.45312 1118.398,25.44727 
1118.880,33.37598 1119.363,37.68066 1119.845,38.82617 1120.327,33.08789 
1120.809,17.77148 1121.291,3.453125 1121.773,2.257813 1122.255,8.640625 
1122.737,14.90918 1123.220,19.98828 1123.702,20.81543 1124.184,12.75098 
1124.666,4.715820 1125.148,2.648438 1125.630,7.947266 1126.112,9.089844 
1126.594,6.193359 1127.077,2.583008 1127.559,17.95898 1128.041,27.26074 
1128.523,19.63867 1129.005,9.539063 1129.487,1.689453 1129.969,2.964844 
1130.451,1.044922 1130.933,12.09570 1131.416,16.60645 1131.898,8.708984 
1132.380,3.096680 1132.862,12.20703 1133.344,25.39160 1133.826,34.75488 
1134.308,39.88477 1134.790,42.38281 1135.272,42.19922 1135.755,40.17676 
1136.237,36.17676 1136.719,31.47656 1137.201,24.28223 1137.683,18.75000 
1138.165,22.39746 1138.647,39.92285 1139.129,45.86426 1139.612,39.12891 
1140.094,28.77539 1140.576,16.15625 1141.058,6.838867 1141.540,13.00293 
1142.022,27.08594 1142.504,32.73535 1142.986,21.77246 1143.469,11.61035 
1143.951,2.331055 1144.433,5.285156 1144.915,13.30859 1145.397,17.87207 
1145.879,6.507813 1146.361,15.79199 1146.843,28.15527 1147.325,11.37109 
1147.807,2.575195 1148.290,8.391602 1148.772,19.55371 1149.254,27.31934 
1149.736,30.99023 1150.218,26.71387 1150.700,15.21875 1151.182,6.402344 
1151.664,6.017578 1152.147,8.084961 1152.629,11.54590 1153.111,15.33594 
1153.593,18.95020 1154.075,22.14258 1154.557,23.45703 1155.039,22.49609 
1155.521,22.26270 1156.004,28.28418 1156.486,30.93262 1156.968,23.87988 
1157.450,11.49316 1157.932,8.372070 1158.414,13.11816 1158.896,15.87109 
1159.378,14.44922 1159.860,9.875977 1160.343,1.412109 1160.825,11.68652 
1161.307,16.24023 1161.789,15.17871 1162.271,7.620117 1162.753,6.120117 
1163.235,19.15723 1163.717,31.16895 1164.199,36.18066 1164.682,20.50684 
1165.164,1.218750 1165.646,3.801758 1166.128,6.270508 1166.610,14.43750 
1167.092,20.53223 1167.574,25.25391 1168.056,30.79004 1168.539,32.16504 
1169.021,18.76465 1169.503,1.422852 1169.985,3.593750 1170.467,7.651367 
1170.949,17.06348 1171.431,25.04199 1171.913,28.52539 1172.396,22.32715 
1172.878,13.75781 1173.360,8.540039 1173.842,7.019531 1174.324,10.73242 
1174.806,23.73438 1175.288,28.80078 1175.770,23.79980 1176.252,19.20117 
1176.734,24.60840 1177.217,33.81152 1177.699,39.63477 1178.181,42.65039 
1178.663,45.00586 1179.145,47.39941 1179.627,47.36914 1180.109,44.29102 
1180.591,40.62012 1181.074,38.10059 1181.556,37.06250 1182.038,41.10547 
1182.520,47.79688 1183.002,44.93066 1183.484,23.36035 1183.966,8.982422 
1184.448,6.278320 1184.931,9.007813 1185.413,10.01660 1185.895,10.94922 
1186.377,14.37012 1186.859,20.25684 1187.341,27.80176 1187.823,41.46777 
1188.305,46.30859 1188.787,37.15723 1189.270,22.62598 1189.752,12.48926 
1190.234,6.066406 1190.716,1.846680 1191.198,0.2412110 1191.680,2.626953 
1192.162,15.55176 1192.644,24.83691 1193.126,26.68652 1193.609,25.06641 
1194.091,27.51855 1194.573,30.76074 1195.055,26.79004 1195.537,13.93750 
1196.019,7.019531 1196.501,12.34570 1196.983,17.83105 1197.466,19.48145 
1197.948,19.94336 1198.430,24.04883 1198.912,30.55469 1199.394,38.65527 
1199.876,49.06543 1200.358,50.76758 1200.840,34.31836 1201.323,22.89746 
1201.805,26.60645 1202.287,37.07422 1202.769,38.58301 1203.251,33.38184 
1203.733,25.69727 1204.215,14.89355 1204.697,7.338867 1205.179,3.824219 
1205.661,4.598633 1206.144,12.60547 1206.626,22.18945 1207.108,16.98438 
1207.590,3.753906 1208.072,2.045898 1208.554,7.172852 1209.036,11.23438 
1209.518,2.964844 1210.001,2.482422 1210.483,4.615234 1210.965,18.39062 
1211.447,20.94336 1211.929,17.47266 1212.411,20.25781 1212.893,36.70996 
1213.375,48.45801 1213.858,53.37988 1214.340,53.81445 1214.822,48.82812 
1215.304,42.13574 1215.786,44.80762 1216.268,52.59473 1216.750,55.44043 
1217.232,47.00391 1217.714,40.81543 1218.197,38.08789 1218.679,36.25195 
1219.161,33.94434 1219.643,32.48828 1220.125,34.52246 1220.607,39.60840 
1221.089,46.24707 1221.571,60.24707 1222.053,62.12109 1222.536,46.33594 
1223.018,30.73145 1223.500,28.86328 1223.982,34.66602 1224.464,35.49805 
1224.946,32.98535 1225.428,30.67773 1225.910,26.18555 1226.393,29.46094 
1226.875,43.72559 1227.357,55.85840 1227.839,54.49316 1228.321,46.30078 
1228.803,39.54297 1229.285,33.76758 1229.767,27.76074 1230.250,18.22559 
1230.732,14.60156 1231.214,17.68066 1231.696,24.12988 1232.178,35.55078 
1232.660,45.86621 1233.142,44.89160 1233.624,36.30273 1234.106,28.65234 
1234.589,24.16895 1235.071,17.98535 1235.553,9.187500 1236.035,3.085938 
1236.517,5.698242 1236.999,11.60059 1237.481,16.74609 1237.963,19.75098 
1238.445,16.54492 1238.928,2.203125 1239.410,0.5947270 1239.892,9.951172 
1240.374,21.41211 1240.856,25.70020 1241.338,25.34570 1241.820,20.49512 
1242.302,13.37109 1242.785,8.194336 1243.267,5.009766 1243.749,5.242188 
1244.231,9.357422 1244.713,12.43848 1245.195,9.777344 1245.677,6.345703 
1246.159,5.109375 1246.641,6.603516 1247.124,10.59766 1247.606,17.51953 
1248.088,19.51855 1248.570,16.20312 1249.052,13.68652 1249.534,18.45312 
1250.016,22.51562 1250.498,18.30176 1250.980,12.53418 1251.463,16.17676 
1251.945,28.89160 1252.427,30.39844 1252.909,20.94727 1253.391,13.01660 
1253.873,16.47949 1254.355,20.33789 1254.837,21.12793 1255.320,19.36523 
1255.802,13.49512 1256.284,4.418945 1256.766,0.4628910 1257.248,0.7021480 
1257.730,1.162109 1258.212,4.829102 1258.694,5.720703 1259.177,3.404297 
1259.659,15.10449 1260.141,23.05078 1260.623,26.93555 1261.105,22.05762 
1261.587,11.07617 1262.069,6.674805 1262.551,24.03516 1263.033,33.09277 
1263.516,28.25977 1263.998,18.64062 1264.480,10.72852 1264.962,5.545898 
1265.444,7.530273 1265.926,14.47754 1266.408,18.36816 1266.890,17.74707 
1267.372,11.23926 1267.855,3.891602 1268.337,14.61230 1268.819,4.792969 
1269.301,12.84668 1269.783,21.71777 1270.265,23.31934 1270.747,22.52344 
1271.229,17.63184 1271.712,17.72266 1272.194,24.56543 1272.676,31.68066 
1273.158,34.05566 1273.640,34.02441 1274.122,33.14062 1274.604,31.82129 
1275.086,30.43848 1275.568,28.67969 1276.051,29.98438 1276.533,34.26074 
1277.015,37.37891 1277.497,33.73145 1277.979,31.17969 1278.461,35.90918 
1278.943,43.57031 1279.425,50.85156 1279.907,57.58496 1280.390,51.98828 
1280.872,36.14160 1281.354,23.14258 1281.836,31.08398 1282.318,37.40625 
1282.800,31.29785 1283.282,23.69629 1283.764,25.52441 1284.247,33.78027 
1284.729,33.09375 1285.211,26.77930 1285.693,25.54395 1286.175,37.52344 
1286.657,44.69531 1287.139,39.71875 1287.621,33.06152 1288.104,36.75488 
1288.586,43.88672 1289.068,35.94922 1289.550,20.13574 1290.032,13.32031 
1290.514,29.01172 1290.996,36.17969 1291.478,33.52441 1291.960,28.23828 
1292.443,24.20117 1292.925,21.06348 1293.407,18.01465 1293.889,15.35156 
1294.371,13.92676 1294.853,14.15918 1295.335,13.20410 1295.817,10.73438 
1296.299,8.183594 1296.782,4.578125 1297.264,3.465820 1297.746,9.528320 
1298.228,18.49805 1298.710,27.54395 1299.192,36.72461 1299.674,41.25684 
1300.156,40.59277 1300.639,32.35352 1301.121,13.09082 1301.603,0.4267580 
1302.085,5.160156 1302.567,16.27441 1303.049,8.999023 1303.531,0.0000000E+00 
##MOLFORM=C2 Ba Ca O6
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
