##TITLE=2100052
##JCAMP-DX=4.24
##DATA TYPE=RAMAN SPECTRUM
##SOURCE REFERENCE=http://solsa.crystallography.net/rod/2100052.rod
##OWNER=PUBLIC DOMAIN
##XUNITS=1/CM
##YUNITS=ARBITRARY UNITS
##FIRSTX=97.34460
##LASTX=1262.620
##XFACTOR=1
##YFACTOR=1
##NPOINTS=2418
##FIRSTY=0.0000000E+00
##LASTY=0.0000000E+00
##XYPOINTS=(XY..XY)
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99.27307,10.80627 99.75519,8.668579 100.2373,7.225464 100.7194,8.762695 
101.2015,8.381470 101.6837,9.140259 102.1658,9.438110 102.6479,7.691650 
103.1300,4.990601 103.6121,3.612061 104.0942,5.332886 104.5764,8.489990 
105.0585,10.98584 105.5406,11.41052 106.0227,10.58630 106.5048,11.09412 
106.9869,13.82031 107.4691,16.80237 107.9512,19.62512 108.4333,23.44299 
108.9154,28.22083 109.3975,31.79492 109.8796,32.18628 110.3618,32.62866 
110.8439,34.99744 111.3260,37.22375 111.8081,38.30676 112.2902,38.02490 
112.7723,36.83276 113.2544,35.36816 113.7366,33.89502 114.2187,31.48950 
114.7008,27.52686 115.1829,23.01758 115.6650,18.80005 116.1471,15.16418 
116.6293,11.97009 117.1114,8.954102 117.5935,6.129150 118.0756,3.389771 
118.5577,0.5104980 119.0398,2.334839 119.5220,4.797852 120.0041,6.920410 
120.4862,8.283081 120.9683,8.273926 121.4504,6.386719 121.9325,4.058228 
122.4147,2.469116 122.8968,1.690552 123.3789,0.8770750 123.8610,0.5982670 
124.3431,2.249634 124.8252,3.431519 125.3074,3.552124 125.7895,3.556763 
126.2716,5.580078 126.7537,10.65930 127.2358,15.99841 127.7179,21.25159 
128.2001,26.05994 128.6822,29.93689 129.1643,32.39233 129.6464,33.59314 
130.1285,35.47241 130.6107,38.19348 131.0928,41.55505 131.5749,46.08459 
132.0570,51.28748 132.5391,56.19141 133.0212,59.83826 133.5034,61.99524 
133.9855,64.61304 134.4676,67.01831 134.9497,70.29187 135.4318,75.95178 
135.9139,83.76636 136.3960,91.18750 136.8782,94.77014 137.3603,93.35229 
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139.7709,122.3801 140.2530,127.8639 140.7351,131.0493 141.2172,132.1539 
141.6993,133.3893 142.1814,135.7678 142.6636,139.0228 143.1457,142.2096 
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145.5563,156.8647 146.0384,160.3627 146.5205,164.3223 147.0026,167.6655 
147.4847,169.5839 147.9668,171.2278 148.4490,173.3157 148.9311,175.9518 
149.4132,178.6367 149.8953,180.3284 150.3774,179.6321 150.8595,181.1421 
151.3417,186.5111 151.8238,192.9188 152.3059,198.0001 152.7880,200.8804 
153.2701,202.5986 153.7522,205.6135 154.2344,212.6526 154.7165,217.8309 
155.1986,220.5957 155.6807,221.5070 156.1628,221.4581 156.6449,220.8683 
157.1271,219.6941 157.6092,217.6725 158.0913,214.7727 158.5734,211.2511 
159.0555,207.1427 159.5376,202.4922 160.0198,197.2943 160.5019,191.3622 
160.9840,184.9156 161.4661,179.0067 161.9482,175.0505 162.4303,170.3690 
162.9125,162.2885 163.3946,150.9471 163.8767,140.3024 164.3588,133.1367 
164.8409,128.2266 165.3230,123.4374 165.8052,118.7543 166.2873,113.7284 
166.7694,107.1237 167.2515,97.88037 167.7336,90.75513 168.2157,89.62024 
168.6979,91.38464 169.1800,92.53406 169.6621,91.26624 170.1442,88.66614 
170.6263,87.97778 171.1084,90.80798 171.5906,93.03381 172.0727,92.24634 
172.5548,90.31836 173.0369,89.95581 173.5190,93.00977 174.0011,99.04309 
174.4833,104.3582 174.9654,108.6941 175.4475,112.3864 175.9296,114.8317 
176.4117,116.6193 176.8938,118.8168 177.3760,122.2970 177.8581,127.1163 
178.3402,131.9269 178.8223,137.1219 179.3044,142.1998 179.7865,146.6691 
180.2687,150.7117 180.7508,154.9359 181.2329,159.8505 181.7150,165.5653 
182.1971,171.5886 182.6792,179.2655 183.1614,186.0487 183.6435,190.0026 
184.1256,191.2317 184.6077,191.8190 185.0898,193.7159 185.5719,196.9851 
186.0541,199.0110 186.5362,199.2430 187.0183,198.4739 187.5004,197.4847 
187.9825,196.3784 188.4646,194.6154 188.9468,191.5491 189.4289,187.3518 
189.9110,182.4435 190.3931,177.0222 190.8752,170.9128 191.3573,163.7794 
191.8395,155.5271 192.3216,146.3949 192.8037,135.8746 193.2858,124.6294 
193.7679,114.1692 194.2500,106.1471 194.7322,99.56897 195.2143,90.76917 
195.6964,78.03027 196.1785,65.69177 196.6606,56.11755 197.1427,48.61755 
197.6249,41.77881 198.1070,34.52637 198.5891,27.00623 199.0712,20.79419 
199.5533,16.69751 200.0354,13.14880 200.5176,9.532471 200.9997,5.971313 
201.4818,2.843262 201.9639,0.5244140 202.4460,0.9703370 202.9281,2.458130 
203.4103,4.303833 203.8924,5.786743 204.3745,6.681885 204.8566,7.013428 
205.3387,6.888062 205.8208,6.390259 206.3030,5.499756 206.7851,4.306641 
207.2672,2.404663 207.7493,0.5949710 208.2314,0.6102290 208.7135,1.369507 
209.1957,2.314941 209.6778,4.128662 210.1599,7.059814 210.6420,8.696777 
211.1241,7.881348 211.6062,7.027710 212.0884,7.047363 212.5705,8.109497 
213.0526,10.32141 213.5347,14.02112 214.0168,19.44788 214.4989,23.85022 
214.9811,27.14697 215.4632,29.61157 215.9453,31.16089 216.4274,31.88184 
216.9095,32.42578 217.3916,33.51355 217.8737,35.09192 218.3559,35.57971 
218.8380,33.06335 219.3201,30.68408 219.8022,31.70447 220.2843,36.36682 
220.7664,41.38403 221.2486,44.03723 221.7307,44.80994 222.2128,45.75378 
222.6949,46.90527 223.1770,48.48950 223.6591,50.77954 224.1413,53.80786 
224.6234,57.33472 225.1055,61.46692 225.5876,65.94702 226.0697,70.34216 
226.5518,74.69177 227.0340,78.78735 227.5161,82.16418 227.9982,84.60339 
228.4803,87.05701 228.9624,90.10901 229.4445,93.47961 229.9267,96.86401 
230.4088,100.0394 230.8909,103.2264 231.3730,107.0002 231.8551,111.8301 
232.3372,116.0175 232.8194,118.2781 233.3015,119.7809 233.7836,121.9542 
234.2657,125.5459 234.7478,129.8926 235.2299,133.4181 235.7121,135.6541 
236.1942,138.0447 236.6763,141.5426 237.1584,145.2036 237.6405,147.8628 
238.1227,148.9010 238.6048,149.1412 239.0869,150.9307 239.5690,156.2075 
240.0511,159.5341 240.5332,159.2866 241.0154,157.2047 241.4975,154.7478 
241.9796,152.5304 242.4617,150.6417 242.9438,149.4441 243.4259,149.8751 
243.9081,149.4718 244.3902,147.6853 244.8723,145.1824 245.3544,142.5331 
245.8365,139.9513 246.3186,137.4132 246.8008,134.8353 247.2829,132.3213 
247.7650,129.5944 248.2471,126.6860 248.7292,123.5531 249.2113,119.7893 
249.6935,115.3380 250.1756,111.0428 250.6577,108.6139 251.1398,110.0841 
251.6219,110.5684 252.1040,109.2920 252.5862,107.4865 253.0683,105.9241 
253.5504,104.9156 254.0325,104.8132 254.5146,106.2798 254.9967,110.5471 
255.4789,114.2303 255.9610,116.5953 256.4431,118.8032 256.9252,121.7826 
257.4073,125.7819 257.8894,130.6125 258.3716,136.0861 258.8537,142.4910 
259.3358,148.9075 259.8179,154.6683 260.3000,160.8541 260.7821,168.5668 
261.2643,177.9694 261.7464,188.1555 262.2285,198.2118 262.7106,208.1263 
263.1927,218.3475 263.6748,228.6523 264.1570,239.3896 264.6391,250.9611 
265.1212,263.3632 265.6033,276.0626 266.0854,288.7494 266.5675,301.3119 
267.0497,312.3271 267.5318,320.8494 268.0139,328.3904 268.4960,335.6821 
268.9781,342.8435 269.4602,350.9041 269.9424,360.8651 270.4245,372.4032 
270.9066,383.1155 271.3887,392.9926 271.8708,401.9445 272.3529,409.6973 
272.8351,416.4062 273.3172,422.9615 273.7993,429.9316 274.2814,437.0557 
274.7635,443.6595 275.2456,449.4410 275.7278,454.9358 276.2099,460.9619 
276.6920,467.3643 277.1741,472.5941 277.6562,475.6041 278.1383,476.9546 
278.6205,478.2046 279.1026,479.3441 279.5847,480.2585 280.0668,481.2083 
280.5489,482.0582 281.0310,481.8579 281.5132,480.1190 281.9953,477.1101 
282.4774,473.7117 282.9595,470.0912 283.4416,465.2017 283.9237,458.0503 
284.4059,448.9500 284.8880,439.1272 285.3701,428.5042 285.8522,418.0719 
286.3343,409.2292 286.8164,401.8950 287.2986,393.7310 287.7807,383.2273 
288.2628,370.8114 288.7449,357.9437 289.2270,344.4966 289.7091,331.2874 
290.1913,318.4438 290.6734,306.1125 291.1555,294.7013 291.6376,285.2771 
292.1197,276.9478 292.6018,267.1692 293.0840,255.3152 293.5661,243.6467 
294.0482,233.6681 294.5303,224.9268 295.0124,216.5527 295.4945,208.8228 
295.9767,201.0892 296.4588,191.7219 296.9409,179.9857 297.4230,169.2167 
297.9051,161.2578 298.3872,155.1528 298.8694,150.2173 299.3515,146.7528 
299.8336,143.4238 300.3157,138.3416 300.7978,131.2219 301.2799,124.0281 
301.7621,116.8969 302.2442,110.3427 302.7263,105.1343 303.2084,101.6016 
303.6905,98.23547 304.1726,92.95801 304.6548,85.64502 305.1369,79.78882 
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307.5475,60.74927 308.0296,58.13062 308.5117,58.24414 308.9938,57.71094 
309.4759,55.90576 309.9580,53.57300 310.4402,51.30835 310.9223,49.04456 
311.4044,46.46887 311.8865,42.88818 312.3686,38.73132 312.8507,35.90747 
313.3329,34.99438 313.8150,34.50903 314.2971,33.58228 314.7792,32.44421 
315.2613,31.54077 315.7434,31.23975 316.2256,31.17139 316.7077,30.46863 
317.1898,28.88599 317.6719,27.28467 318.1540,25.91663 318.6361,24.77417 
319.1183,24.02612 319.6004,23.90710 320.0825,23.64490 320.5646,21.94373 
321.0467,18.52881 321.5288,15.42114 322.0110,13.18677 322.4931,11.59741 
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324.9037,10.68896 325.3858,9.545532 325.8679,5.877563 326.3500,1.705933 
326.8321,2.141602 327.3142,5.443359 327.7964,7.178833 328.2785,5.425171 
328.7606,1.150635 329.2427,0.7786870 329.7248,0.7308350 330.2069,3.211670 
330.6891,5.838989 331.1712,8.230103 331.6533,9.477539 332.1354,8.581909 
332.6175,6.586792 333.0996,5.586426 333.5818,5.744507 334.0639,6.389160 
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336.4745,7.931152 336.9566,6.468506 337.4387,4.876587 337.9208,4.046143 
338.4029,5.031372 338.8850,6.375244 339.3671,6.523560 339.8492,5.285156 
340.3314,3.920776 340.8135,3.760742 341.2956,4.488159 341.7777,3.856323 
342.2598,0.5261230 342.7419,2.889648 343.2241,4.033936 343.7062,3.261841 
344.1883,2.244873 344.6704,1.504883 345.1525,1.112061 345.6346,1.448364 
346.1168,2.839966 346.5989,3.959229 347.0810,3.100342 347.5631,1.357056 
348.0452,0.7126460 348.5273,2.127563 349.0095,4.440552 349.4916,6.956177 
349.9737,9.713013 350.4558,10.71875 350.9379,7.693604 351.4200,3.128662 
351.9022,1.111938 352.3843,2.411377 352.8664,4.655640 353.3485,6.678711 
353.8306,8.444946 354.3127,9.781006 354.7949,10.57361 355.2770,11.01807 
355.7591,11.03186 356.2412,10.59351 356.7233,11.03723 357.2054,13.88074 
357.6876,17.57263 358.1697,19.35376 358.6518,18.64502 359.1339,17.64758 
359.6160,18.33691 360.0981,20.43848 360.5803,22.43298 361.0624,24.28076 
361.5445,25.85608 362.0266,26.82080 362.5087,27.27942 362.9908,28.05115 
363.4730,29.71851 363.9551,31.94653 364.4372,33.67175 364.9193,34.60681 
365.4014,35.55701 365.8835,36.88074 366.3657,38.44409 366.8478,39.90112 
367.3299,41.07373 367.8120,42.36182 368.2941,44.66064 368.7762,48.45837 
369.2584,51.06860 369.7405,51.28162 370.2226,50.62805 370.7047,50.49487 
371.1868,51.07410 371.6689,52.00269 372.1511,53.01562 372.6332,54.11963 
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375.0438,57.28931 375.5259,58.68164 376.0080,61.00208 376.4901,63.83545 
376.9722,65.68616 377.4543,64.97571 377.9365,65.31531 378.4186,68.15796 
378.9007,71.73267 379.3828,73.98230 379.8649,74.37280 380.3470,73.96240 
380.8292,74.23682 381.3113,75.51416 381.7934,76.52954 382.2755,77.23267 
382.7576,77.75952 383.2397,78.08740 383.7219,78.29504 384.2040,78.55762 
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386.6146,82.40894 387.0967,84.37805 387.5788,86.17834 388.0609,87.07446 
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390.4715,85.21777 390.9536,85.97461 391.4357,86.79187 391.9178,87.42041 
392.4000,87.77637 392.8821,87.90576 393.3642,87.75220 393.8463,87.36230 
394.3284,87.93445 394.8105,90.62170 395.2927,92.96692 395.7748,93.76294 
396.2569,93.57910 396.7390,93.58496 397.2211,94.50793 397.7032,95.97607 
398.1854,96.77417 398.6675,96.29175 399.1496,96.69104 399.6317,99.84692 
400.1138,103.6558 400.5959,106.3981 401.0781,107.6575 401.5602,108.2267 
402.0423,108.7733 402.5244,109.2966 403.0065,109.6094 403.4886,109.3926 
403.9708,109.5605 404.4529,110.9442 404.9350,113.0828 405.4171,114.8475 
405.8992,115.2957 406.3813,115.5199 406.8635,117.4807 407.3456,121.4053 
407.8277,124.7897 408.3098,125.9451 408.7919,125.8662 409.2740,126.3682 
409.7562,127.8268 410.2383,129.5354 410.7204,131.0254 411.2025,132.3789 
411.6846,133.7770 412.1667,135.1743 412.6489,136.9933 413.1310,140.0460 
413.6131,144.3110 414.0952,148.1189 414.5773,150.8658 415.0594,153.0442 
415.5416,154.7896 416.0237,156.3156 416.5058,158.6295 416.9879,162.5847 
417.4700,167.8462 417.9521,172.3823 418.4343,175.0468 418.9164,178.2774 
419.3985,182.9347 419.8806,188.4555 420.3627,194.2210 420.8448,200.0470 
421.3270,205.5842 421.8091,210.1659 422.2912,212.9911 422.7733,216.9070 
423.2554,222.9677 423.7375,229.3370 424.2197,234.8027 424.7018,239.4490 
425.1839,244.0658 425.6660,249.2802 426.1481,254.8078 426.6302,259.1439 
427.1124,260.9938 427.5945,263.4320 428.0766,266.9849 428.5587,271.1965 
429.0408,275.7120 429.5229,280.3898 430.0051,285.1995 430.4872,290.2808 
430.9693,295.9058 431.4514,300.6036 431.9335,304.2410 432.4156,306.9772 
432.8978,308.1130 433.3799,308.3436 433.8620,309.3091 434.3441,312.1871 
434.8262,316.3630 435.3083,320.3127 435.7905,324.4122 436.2726,327.1813 
436.7547,327.3425 437.2368,326.3163 437.7189,325.1591 438.2010,324.0526 
438.6832,322.9470 439.1653,322.2552 439.6474,321.6945 440.1295,319.4194 
440.6116,314.3724 441.0938,309.0724 441.5759,305.9332 442.0580,304.3521 
442.5401,302.5836 443.0222,301.0657 443.5043,298.5279 443.9865,293.0417 
444.4686,284.9362 444.9507,277.0142 445.4328,270.7527 445.9149,265.2997 
446.3970,258.6907 446.8792,250.6642 447.3613,242.5628 447.8434,234.6333 
448.3255,226.8771 448.8076,219.3452 449.2897,212.0004 449.7719,204.7364 
450.2540,197.5312 450.7361,190.3804 451.2182,182.5613 451.7003,172.8356 
452.1824,163.8981 452.6646,157.4196 453.1467,152.2005 453.6288,146.1339 
454.1109,138.2739 454.5930,129.6431 455.0751,122.2564 455.5573,117.0186 
456.0394,111.2813 456.5215,104.8768 457.0036,98.20215 457.4857,91.03516 
457.9678,83.72424 458.4500,77.07257 458.9321,71.74707 459.4142,67.59174 
459.8963,63.65900 460.3784,60.11597 460.8605,56.52075 461.3427,52.68140 
461.8248,48.74158 462.3069,44.97717 462.7890,41.45532 463.2711,37.53705 
463.7532,31.92175 464.2354,24.81152 464.7175,19.82043 465.1996,18.41736 
465.6817,17.52203 466.1638,14.52264 466.6459,10.28192 467.1281,7.016113 
467.6102,6.057556 468.0923,5.849304 468.5744,4.738831 469.0565,2.789368 
469.5386,0.8001100 470.0208,0.9484250 470.5029,2.549805 470.9850,4.349792 
471.4671,6.632446 471.9492,7.816895 472.4313,6.386719 472.9135,4.320862 
473.3956,3.687927 473.8777,4.658386 474.3598,6.494873 474.8419,8.833374 
475.3240,11.54346 475.8062,13.27100 476.2883,13.68970 476.7704,13.67651 
477.2525,13.15436 477.7346,12.38873 478.2167,11.78082 478.6989,11.39941 
479.1810,10.81818 479.6631,9.330811 480.1452,6.561401 480.6273,4.867432 
481.1094,5.317383 481.5916,5.771667 482.0737,5.795654 482.5558,5.300354 
483.0379,4.135437 483.5200,2.153687 484.0021,0.1546630 484.4843,1.712708 
484.9664,2.234985 485.4485,3.355225 485.9306,6.007690 486.4127,8.837036 
486.8948,10.90540 487.3770,12.29370 487.8591,13.66058 488.3412,15.23334 
488.8233,17.07843 489.3054,19.59064 489.7875,22.88489 490.2697,25.59595 
490.7518,26.77051 491.2339,27.02069 491.7160,27.54889 492.1981,28.15881 
492.6802,29.61292 493.1624,33.03766 493.6445,37.20496 494.1266,39.91974 
494.6087,40.86774 495.0908,42.10052 495.5729,45.71136 496.0551,51.64349 
496.5372,55.82526 497.0193,56.46130 497.5014,57.70422 497.9835,61.90326 
498.4656,67.10895 498.9478,70.32355 499.4299,70.63556 499.9120,69.81946 
500.3941,70.48773 500.8762,73.15857 501.3583,75.25311 501.8405,76.15204 
502.3226,77.09497 502.8047,78.71484 503.2868,80.66791 503.7689,82.09875 
504.2510,82.45435 504.7331,82.70496 505.2152,84.90234 505.6974,89.44373 
506.1795,93.54517 506.6616,97.10760 507.1437,99.52502 507.6258,99.65057 
508.1079,97.99829 508.5901,97.27313 509.0722,99.18518 509.5543,102.5833 
510.0364,106.1578 510.5185,109.8734 511.0006,112.9053 511.4828,114.6324 
511.9649,115.6249 512.4470,116.9396 512.9291,118.3668 513.4113,120.6631 
513.8934,124.8789 514.3755,129.5282 514.8576,132.8716 515.3397,134.9006 
515.8218,136.9351 516.3040,140.0560 516.7861,144.0093 517.2682,146.9202 
517.7503,147.2146 518.2324,148.4177 518.7145,151.3531 519.1967,155.0472 
519.6788,158.8311 520.1609,162.4484 520.6430,165.6095 521.1251,167.7452 
521.6072,168.9307 522.0894,171.5918 522.5715,177.1099 523.0536,181.9145 
523.5357,184.0168 524.0178,185.1875 524.4999,187.6253 524.9821,191.9907 
525.4642,196.5502 525.9463,199.7880 526.4284,201.8594 526.9105,203.4915 
527.3926,204.6130 527.8748,205.6198 528.3569,206.8375 528.8390,208.2109 
529.3211,209.5868 529.8032,211.4224 530.2853,213.0310 530.7675,213.4788 
531.2496,213.4011 531.7317,214.3344 532.2138,216.7205 532.6959,219.2633 
533.1780,220.3505 533.6602,219.8062 534.1423,219.3940 534.6244,219.6573 
535.1065,219.5243 535.5886,218.7115 536.0707,217.2040 536.5529,214.6957 
537.0350,211.1415 537.5171,207.6024 537.9992,206.0253 538.4813,206.8197 
538.9634,206.9725 539.4456,206.8085 539.9277,205.4522 540.4098,201.3385 
540.8919,196.0178 541.3740,192.6313 541.8561,192.8357 542.3383,194.3576 
542.8204,195.1028 543.3025,195.0067 543.7846,193.0207 544.2667,188.0297 
544.7488,182.7197 545.2310,180.3758 545.7131,180.6484 546.1952,180.5928 
546.6773,180.0310 547.1594,178.7882 547.6415,176.0284 548.1237,172.5130 
548.6058,170.2405 549.0879,170.0752 549.5700,170.6732 550.0521,169.6826 
550.5342,166.0181 551.0164,164.1617 551.4985,166.1358 551.9806,167.5941 
552.4627,166.2648 552.9448,163.0729 553.4269,159.8412 553.9091,157.4025 
554.3912,155.6191 554.8733,154.3412 555.3554,153.6213 555.8375,152.9657 
556.3196,152.1246 556.8018,151.5630 557.2839,152.3392 557.7660,153.6460 
558.2481,153.1429 558.7302,149.0560 559.2123,143.9503 559.6945,140.2651 
560.1766,137.8124 560.6587,135.9114 561.1408,134.4907 561.6229,133.1071 
562.1050,131.1684 562.5872,128.5878 563.0693,126.0381 563.5514,123.3194 
564.0335,120.8575 564.5156,119.1258 564.9977,117.7646 565.4799,116.0717 
565.9620,113.7795 566.4441,111.2280 566.9262,108.9835 567.4083,107.1723 
567.8904,105.1445 568.3726,102.9528 568.8547,100.4547 569.3368,97.56940 
569.8189,94.34143 570.3010,90.75330 570.7831,86.65851 571.2653,82.71777 
571.7474,79.37500 572.2295,76.72882 572.7116,75.93439 573.1937,78.16443 
573.6758,79.81311 574.1580,77.13580 574.6401,71.22278 575.1222,66.34167 
575.6043,63.87299 576.0864,61.40253 576.5685,57.28265 577.0507,52.54688 
577.5328,49.00433 578.0149,47.07697 578.4970,45.83136 578.9791,44.31500 
579.4612,42.52118 579.9434,40.66815 580.4255,38.04565 580.9076,36.22827 
581.3897,36.12195 581.8718,36.62634 582.3539,36.59326 582.8361,35.74841 
583.3182,34.53003 583.8003,32.98499 584.2824,31.28595 584.7645,30.93359 
585.2466,32.38812 585.7288,33.87354 586.2108,34.60431 586.6929,34.78961 
587.1750,34.67316 587.6572,34.20215 588.1393,33.71606 588.6214,33.10895 
589.1035,32.71295 589.5856,33.19940 590.0677,34.50067 590.5499,35.57825 
591.0320,35.72699 591.5141,35.19312 591.9962,34.87445 592.4783,34.50171 
592.9604,34.79980 593.4426,36.68701 593.9247,38.57074 594.4068,39.07068 
594.8889,38.46112 595.3710,37.97650 595.8531,38.44489 596.3353,39.49176 
596.8174,39.98730 597.2995,39.60657 597.7816,40.36487 598.2637,43.96674 
598.7458,47.71637 599.2280,49.04608 599.7101,48.38483 600.1922,48.11395 
600.6743,49.22754 601.1564,50.80170 601.6385,52.21600 602.1207,53.46283 
602.6028,54.44318 603.0849,55.11700 603.5670,55.69897 604.0491,56.52472 
604.5313,57.74225 605.0134,58.22479 605.4955,56.58923 605.9776,55.78046 
606.4597,57.41980 606.9418,60.14838 607.4240,62.30310 607.9061,63.36523 
608.3882,63.59607 608.8703,62.85168 609.3524,61.27338 609.8345,61.01154 
610.3167,62.66150 610.7988,64.18744 611.2809,64.64703 611.7630,64.44299 
612.2451,63.94910 612.7272,63.07855 613.2094,62.53333 613.6915,62.64648 
614.1736,63.12158 614.6557,63.84619 615.1378,64.74487 615.6199,65.11475 
616.1021,64.25494 616.5842,62.65674 617.0663,62.19092 617.5484,64.63605 
618.0305,65.45251 618.5126,62.87024 618.9948,60.38397 619.4769,60.56750 
619.9590,62.52649 620.4411,63.78900 620.9232,62.96082 621.4053,60.75653 
621.8875,57.92261 622.3696,54.53040 622.8517,52.69855 623.3338,53.50098 
623.8159,54.80499 624.2980,54.74469 624.7802,53.70062 625.2623,52.87775 
625.7444,52.78571 626.2265,52.22839 626.7086,50.36224 627.1907,47.95490 
627.6729,46.00531 628.1550,44.67163 628.6371,43.64679 629.1192,42.74463 
629.6013,41.87665 630.0834,40.34515 630.5656,37.39313 631.0477,35.03491 
631.5298,34.01605 632.0119,33.29297 632.4940,32.00983 632.9761,30.21899 
633.4583,28.59216 633.9404,27.55688 634.4225,26.89026 634.9046,26.69843 
635.3867,26.84601 635.8688,25.27563 636.3510,20.70221 636.8331,15.75922 
637.3152,13.85199 637.7973,15.36316 638.2794,15.74957 638.7615,13.85004 
639.2437,12.04962 639.7258,11.51837 640.2079,11.60352 640.6900,11.46045 
641.1721,10.81934 641.6542,9.727905 642.1364,8.029175 642.6185,5.828064 
643.1006,4.752014 643.5827,5.485535 644.0648,5.833557 644.5469,4.716980 
645.0291,3.052551 645.5112,1.400208 645.9933,0.1743770 646.4754,1.098328 
646.9575,0.5503540 647.4396,0.3864140 647.9218,0.4512330 648.4039,0.1857910 
648.8860,0.5608520 649.3681,0.2487180 649.8502,0.1364140 650.3323,0.4531250 
650.8145,2.433228 651.2966,3.467468 651.7787,2.699158 652.2608,2.014038 
652.7429,2.113586 653.2250,2.555542 653.7072,3.015930 654.1893,3.346252 
654.6714,2.824280 655.1535,0.3226320 655.6356,4.861450 656.1177,6.224792 
656.5999,3.952026 657.0820,1.280273 657.5641,0.6400760 658.0462,1.782043 
658.5283,1.820862 659.0104,0.4419560 659.4926,0.2419430 659.9747,0.5914920 
660.4568,1.697266 660.9389,2.395508 661.4210,2.744934 661.9031,3.077637 
662.3853,3.515442 662.8674,3.631592 663.3495,2.475037 663.8316,0.1256100 
664.3137,1.087097 664.7958,0.4486690 665.2780,2.071594 665.7601,2.806580 
666.2422,3.017212 666.7243,3.041626 667.2064,2.908142 667.6885,2.669128 
668.1707,1.998169 668.6528,1.459900 669.1349,1.836670 669.6170,2.987976 
670.0991,4.334106 670.5812,5.651062 671.0634,6.523071 671.5455,6.040039 
672.0276,3.498352 672.5097,2.260803 672.9918,4.011780 673.4739,5.227844 
673.9561,4.126526 674.4382,2.197327 674.9203,1.550598 675.4024,2.706238 
675.8845,4.043518 676.3666,3.916382 676.8488,3.124695 677.3309,3.852234 
677.8130,6.145752 678.2951,7.391785 678.7772,6.160400 679.2593,3.565918 
679.7415,1.526978 680.2236,4.5779999E-03 680.7057,0.6876220 681.1878,0.1294560 
681.6699,1.081360 682.1520,1.967102 682.6342,2.443237 683.1163,1.807983 
683.5984,6.1035000E-02 684.0805,1.979431 684.5626,2.528442 685.0447,1.979614 
685.5269,1.799438 686.0090,2.035706 686.4911,2.451294 686.9732,2.964844 
687.4553,3.592896 687.9374,4.318542 688.4196,5.102478 688.9017,6.247131 
689.3838,8.935425 689.8659,10.86938 690.3480,9.833130 690.8301,7.330017 
691.3123,6.002625 691.7944,6.681091 692.2765,8.234192 692.7586,9.394958 
693.2407,10.21161 693.7228,11.50409 694.2050,13.74469 694.6871,15.15961 
695.1692,14.40582 695.6513,13.05737 696.1334,12.85626 696.6155,13.81403 
697.0977,14.71344 697.5798,15.48962 698.0619,15.80261 698.5440,14.75214 
699.0261,13.18628 699.5082,12.98663 699.9904,14.62720 700.4725,16.86420 
700.9546,18.43561 701.4367,19.35498 701.9188,19.77393 702.4009,19.56128 
702.8831,19.10883 703.3652,17.99420 703.8473,17.06152 704.3294,17.03931 
704.8115,17.86414 705.2936,18.80865 705.7758,19.61627 706.2579,20.38745 
706.7400,21.42279 707.2221,22.45636 707.7042,22.67761 708.1863,21.94324 
708.6685,21.22113 709.1506,21.49414 709.6327,22.66364 710.1148,23.44983 
710.5969,23.55408 711.0790,23.72668 711.5612,24.21918 712.0433,24.66846 
712.5254,24.73853 713.0075,24.67505 713.4896,24.94189 713.9717,25.87933 
714.4539,26.98376 714.9360,27.85907 715.4181,28.53143 715.9002,29.18469 
716.3823,29.87274 716.8644,30.09155 717.3466,29.18231 717.8287,27.68921 
718.3108,27.89386 718.7929,31.35333 719.2750,33.60065 719.7571,33.87921 
720.2393,33.61169 720.7214,33.21265 721.2035,32.94861 721.6856,33.11835 
722.1677,33.65729 722.6498,34.48096 723.1320,36.00653 723.6141,37.71582 
724.0962,38.23853 724.5783,37.57623 725.0604,37.06104 725.5425,37.40112 
726.0247,38.38165 726.5068,39.53259 726.9889,40.87933 727.4710,42.04388 
727.9531,42.49481 728.4352,43.34955 728.9174,45.88019 729.3995,48.72913 
729.8816,49.80170 730.3637,48.61719 730.8458,47.53357 731.3279,48.69745 
731.8101,51.09906 732.2922,53.05054 732.7743,54.46710 733.2564,55.52264 
733.7385,56.29688 734.2206,56.88470 734.7028,57.21875 735.1849,57.12445 
735.6670,57.78229 736.1491,60.15088 736.6312,62.36554 737.1133,63.93390 
737.5955,65.47314 738.0776,67.69183 738.5597,70.42859 739.0418,72.66388 
739.5239,73.54449 740.0060,74.17310 740.4882,76.06342 740.9703,78.85413 
741.4524,81.17883 741.9345,82.72028 742.4166,84.26843 742.8987,86.49017 
743.3809,89.28088 743.8630,92.08160 744.3451,94.91620 744.8272,97.72687 
745.3093,101.0076 745.7914,103.7732 746.2736,104.8857 746.7557,105.1849 
747.2378,106.5909 747.7199,110.0026 748.2020,113.2912 748.6841,114.5861 
749.1663,114.8010 749.6484,115.2640 750.1305,116.1505 750.6126,117.6270 
751.0947,119.7961 751.5768,122.5144 752.0590,125.6794 752.5411,129.6295 
753.0232,132.4298 753.5053,133.3351 753.9874,134.0626 754.4695,135.6586 
754.9517,137.0411 755.4338,136.5862 755.9159,134.2359 756.3980,132.6285 
756.8801,133.1883 757.3622,134.8777 757.8444,137.3797 758.3265,140.1139 
758.8086,141.7416 759.2907,141.9284 759.7728,141.2170 760.2549,139.9667 
760.7371,138.3856 761.2192,137.8925 761.7013,138.9034 762.1834,139.9177 
762.6655,141.3203 763.1476,141.9750 763.6298,140.9694 764.1119,138.6752 
764.5940,136.0246 765.0761,132.7993 765.5582,130.0978 766.0403,128.6646 
766.5225,127.8967 767.0046,127.4753 767.4867,127.0959 767.9688,125.9891 
768.4509,123.7415 768.9330,120.9521 769.4152,118.5602 769.8973,116.5493 
770.3794,114.8578 770.8615,113.5765 771.3436,112.4087 771.8257,111.5543 
772.3079,110.5067 772.7900,108.4124 773.2721,105.1987 773.7542,102.0989 
774.2363,98.62549 774.7184,96.04541 775.2006,96.06952 775.6827,96.84784 
776.1648,95.60150 776.6469,92.15631 777.1290,88.80133 777.6111,87.45117 
778.0933,87.20001 778.5754,86.09943 779.0575,84.16315 779.5396,81.75732 
780.0217,78.77716 780.5038,75.89789 780.9860,73.60370 781.4681,71.82605 
781.9502,70.23480 782.4323,69.03241 782.9144,67.66882 783.3965,65.89185 
783.8787,64.18622 784.3608,62.40723 784.8429,61.01459 785.3250,61.39233 
785.8071,63.99762 786.2892,65.40179 786.7714,61.35889 787.2535,54.72485 
787.7356,50.86011 788.2177,49.62299 788.6998,48.51642 789.1819,46.59509 
789.6641,44.94763 790.1462,45.19733 790.6283,47.32721 791.1104,47.02704 
791.5925,41.98669 792.0746,38.43787 792.5568,38.89532 793.0389,39.89069 
793.5210,38.98029 794.0031,36.53143 794.4852,34.12640 794.9673,31.78284 
795.4495,30.44208 795.9316,31.66229 796.4137,33.66699 796.8958,34.29248 
797.3779,33.40002 797.8600,31.40631 798.3422,28.48132 798.8243,25.51605 
799.3064,24.21008 799.7885,24.63214 800.2706,24.26773 800.7527,22.84213 
801.2349,21.44556 801.7170,20.49509 802.1991,19.80017 802.6812,19.20929 
803.1633,18.74161 803.6454,17.93011 804.1276,16.07773 804.6097,14.69656 
805.0918,14.52728 805.5739,15.01050 806.0560,15.94922 806.5381,17.05634 
807.0203,17.43979 807.5024,16.57434 807.9845,15.11792 808.4666,13.63470 
808.9487,12.27695 809.4308,11.80124 809.9130,12.30331 810.3951,12.91202 
810.8772,13.19910 811.3593,13.11136 811.8414,12.46152 812.3235,10.76239 
812.8057,9.916443 813.2878,11.02896 813.7699,11.73245 814.2520,11.32040 
814.7341,10.28629 815.2162,8.775146 815.6984,6.952850 816.1805,5.928925 
816.6626,6.834534 817.1447,7.835938 817.6268,7.640808 818.1089,6.780609 
818.5911,5.733643 819.0732,4.715485 819.5553,4.323730 820.0374,5.018768 
820.5195,6.326294 821.0016,7.498901 821.4838,8.573486 821.9659,8.442139 
822.4480,6.564331 822.9301,4.926239 823.4122,4.558624 823.8943,5.078552 
824.3765,5.929230 824.8586,7.268158 825.3407,7.542114 825.8228,5.521240 
826.3049,4.032745 826.7870,4.573608 827.2692,5.782349 827.7513,6.240082 
828.2334,5.909058 828.7155,5.565521 829.1976,5.415131 829.6797,5.308075 
830.1619,5.376648 830.6440,5.690613 831.1261,6.083832 831.6082,6.447998 
832.0903,7.284332 832.5724,9.169495 833.0546,11.21976 833.5367,11.28171 
834.0188,8.851624 834.5009,7.335480 834.9830,7.142639 835.4651,7.131714 
835.9473,6.898621 836.4294,6.610382 836.9115,6.418823 837.3936,6.348724 
837.8757,6.534393 838.3578,7.390015 838.8400,8.013123 839.3221,8.063324 
839.8042,7.791077 840.2863,7.063934 840.7684,6.083099 841.2505,5.783936 
841.7327,6.757965 842.2148,7.951385 842.6969,7.874939 843.1790,7.022339 
843.6611,6.953613 844.1432,7.695465 844.6254,8.213806 845.1075,8.084656 
845.5896,7.493835 846.0717,6.565765 846.5538,5.283234 847.0359,4.502563 
847.5181,4.395081 848.0002,4.646820 848.4823,5.155487 848.9644,5.778717 
849.4465,6.824310 849.9286,7.992157 850.4108,8.282135 850.8929,7.048096 
851.3750,5.966461 851.8571,5.749664 852.3392,5.817169 852.8214,5.861755 
853.3035,5.761261 853.7856,5.270355 854.2677,4.357605 854.7498,3.534790 
855.2319,3.411591 855.7141,3.661865 856.1962,3.449310 856.6783,2.863403 
857.1604,2.524139 857.6425,2.602264 858.1246,2.810547 858.6068,2.957733 
859.0889,2.998047 859.5710,2.664063 860.0531,1.519409 860.5352,1.194489 
861.0173,2.578613 861.4995,3.688965 861.9816,3.738861 862.4637,2.966766 
862.9458,1.261261 863.4279,1.487152 863.9100,3.015533 864.3922,1.843353 
864.8743,0.3711550 865.3564,0.1394650 865.8385,0.2415470 866.3206,0.7464600 
866.8027,1.592865 867.2849,2.074066 867.7670,1.780975 868.2491,1.014801 
868.7312,0.3158870 869.2133,1.737457 869.6954,1.485748 870.1776,0.4001460 
870.6597,1.704987 871.1418,1.411194 871.6239,0.2493900 872.1060,0.8508300 
872.5881,1.884888 873.0703,2.708649 873.5524,3.444305 874.0345,3.612885 
874.5166,2.546967 874.9987,1.514801 875.4808,1.815674 875.9630,2.973907 
876.4451,3.568146 876.9272,3.301086 877.4093,2.932831 877.8914,2.507904 
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1103.522,7.257416 1104.004,6.759674 1104.486,7.436646 1104.968,8.747711 
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1113.164,10.72870 1113.646,10.31946 1114.129,9.983368 1114.611,9.637817 
1115.093,8.916168 1115.575,7.432587 1116.057,6.753998 1116.539,7.515015 
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1226.944,9.201324 1227.426,8.502960 1227.908,7.078369 1228.390,5.696930 
1228.872,4.623871 1229.354,4.499207 1229.837,5.893219 1230.319,7.168671 
1230.801,8.082123 1231.283,8.328888 1231.765,7.110016 1232.247,5.845032 
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1234.658,2.546967 1235.140,1.445984 1235.622,1.275452 1236.104,2.301636 
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1240.443,4.197662 1240.925,3.756775 1241.407,2.802216 1241.889,2.424103 
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1246.229,2.719238 1246.711,2.423553 1247.193,2.239349 1247.675,2.241577 
1248.157,2.034546 1248.639,1.215027 1249.121,0.6497800 1249.603,0.6755980 
1250.085,1.058777 1250.568,1.795715 1251.050,2.504181 1251.532,3.096863 
1252.014,3.550568 1252.496,3.816132 1252.978,3.914856 1253.460,2.455383 
1253.942,0.1180420 1254.424,0.1347350 1254.907,2.980103 1255.389,4.191315 
1255.871,2.601135 1256.353,0.9728700 1256.835,1.411072 1257.317,2.554962 
1257.799,2.669037 1258.281,2.143585 1258.764,1.223999 1259.246,0.8677060 
1259.728,0.7398680 1260.210,0.8569340 1260.692,0.9977420 1261.174,1.135864 
1261.656,0.9312440 1262.138,0.1489870 1262.620,0.0000000E+00 
##MOLFORM=Ca O8 Ti Zr2.5
##RESOLUTION=4
##PRESSURE=100
##TEMPERATURE=26.85
##END=
