#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:17:53 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1072 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000515.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000515 loop_ _publ_author_name 'Prencipe, M.' 'Pascale, F.' 'Zicovich-Wilson C M' 'Saunders, V. R.' 'Orlando, R.' 'Dovesi, R.' _publ_section_title ; The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation Note: Theoretically derived structure ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 559 _journal_page_last 564 _journal_paper_doi 10.1007/s00269-004-0418-7 _journal_volume 31 _journal_year 2004 _chemical_compound_source R150020 _chemical_formula_structural Ca(CO3) _chemical_formula_sum 'C Ca O3' _chemical_name_mineral Calcite _space_group_IT_number 167 _symmetry_space_group_name_Hall '-R 3 2"c' _symmetry_space_group_name_H-M 'R -3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 5.0492 _cell_length_b 5.0492 _cell_length_c 17.3430 _cell_volume 382.913 _exptl_crystal_density_diffrn 2.604 _cod_original_sg_symbol_H-M 'R -3 c' _cod_original_formula_sum 'Ca C O3' _cod_database_code 9007286 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R150020.rod _rod_data_source.block 3500000 _rod_database.code 1000515 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9007286 COD http://www.crystallography.net/cod/9007286.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 89.78320 0.0000000E+00 90.26532 2.7401000E-02 90.74744 0.2370220 91.22955 0.6316570 91.71167 1.165169 92.19379 1.760639 92.67590 2.465446 93.15802 3.006950 93.64014 2.781582 94.12225 1.943222 94.60437 1.233765 95.08649 0.9177820 95.56860 0.9042780 96.05072 1.294899 96.53284 1.457134 97.01495 1.396481 97.49707 1.608635 97.97919 1.926014 98.46130 2.053871 98.94342 1.793774 99.42554 1.185963 99.90765 0.7316780 100.3898 0.4477460 100.8719 0.2612150 101.3540 4.4769000E-02 101.8361 0.2460330 102.3182 0.4195330 102.8004 0.3651280 103.2825 2.4949999E-03 103.7646 0.2061840 104.2467 0.1289940 104.7288 3.5080001E-02 105.2109 0.2204820 105.6931 1.172588 106.1752 2.132481 106.6573 2.799809 107.1394 2.928356 107.6215 3.198662 108.1036 3.732346 108.5858 4.459518 109.0679 4.989525 109.5500 5.311962 110.0321 5.466385 110.5142 5.473381 110.9963 5.048409 111.4785 4.798515 111.9606 4.861061 112.4427 5.222145 112.9248 5.526501 113.4069 5.651722 113.8890 5.737926 114.3712 5.901047 114.8533 5.985085 115.3354 6.306499 115.8175 7.146923 116.2996 8.594559 116.7817 9.705170 117.2639 10.00563 117.7460 9.833710 118.2281 9.615532 118.7102 9.482758 119.1923 9.368774 119.6744 9.194263 120.1566 8.912109 120.6387 8.750580 121.1208 8.943336 121.6029 9.358349 122.0850 9.729008 122.5671 9.702415 123.0493 9.656422 123.5314 10.12083 124.0135 11.44981 124.4956 12.62497 124.9777 12.37041 125.4598 11.00559 125.9420 9.739796 126.4241 9.432129 126.9062 9.749691 127.3883 10.09864 127.8704 10.37137 128.3525 10.60040 128.8347 10.83487 129.3168 11.07482 129.7989 11.29637 130.2810 11.38389 130.7631 11.40734 131.2452 11.68893 131.7274 12.43301 132.2095 13.42976 132.6916 14.09041 133.1737 14.38951 133.6558 14.56438 134.1379 14.70968 134.6201 14.83257 135.1022 15.39240 135.5843 16.61702 136.0664 18.42857 136.5485 20.25301 137.0306 22.14829 137.5128 23.93967 137.9949 25.44141 138.4770 26.61414 138.9591 27.71136 139.4412 28.81507 139.9233 29.91330 140.4055 31.05502 140.8876 32.34044 141.3697 33.56615 141.8518 34.36368 142.3339 34.56070 142.8160 34.70882 143.2982 35.02294 143.7803 35.58825 144.2624 36.04363 144.7445 36.31260 145.2266 36.43172 145.7087 36.68686 146.1909 37.04662 146.6730 37.61794 147.1551 38.48148 147.6372 39.94395 148.1193 41.19276 148.6014 41.95318 149.0836 42.45467 149.5657 43.49564 150.0478 45.11584 150.5299 47.25950 151.0120 49.90533 151.4941 52.96564 151.9763 56.57744 152.4584 60.86861 152.9405 65.76780 153.4226 71.00137 153.9047 77.09171 154.3868 83.16631 154.8690 88.74555 155.3511 95.24998 155.8332 99.68839 156.3153 101.5690 156.7974 100.9299 157.2795 98.12746 157.7617 92.03264 158.2438 84.45292 158.7259 76.69060 159.2080 68.37079 159.6901 60.52601 160.1722 53.44261 160.6544 47.12841 161.1365 41.48293 161.6186 36.46353 162.1007 32.11621 162.5828 28.36199 163.0649 25.46555 163.5471 22.99423 164.0292 20.81020 164.5113 18.90723 164.9934 17.15787 165.4755 15.40572 165.9576 13.78782 166.4398 12.49324 166.9219 11.74718 167.4040 11.22125 167.8861 10.74859 168.3682 10.32221 168.8503 9.880562 169.3325 9.369072 169.8146 8.816734 170.2967 8.276550 170.7788 7.795555 171.2609 7.318848 171.7430 6.706848 172.2252 5.908600 172.7073 5.337639 173.1894 5.614159 173.6715 6.390808 174.1536 6.876762 174.6357 6.505493 175.1179 5.723480 175.6000 5.028847 176.0821 4.461815 176.5642 4.011246 177.0463 3.705063 177.5284 3.516800 178.0106 3.368065 178.4927 3.250732 178.9748 3.137947 179.4569 2.966530 179.9390 2.712013 180.4211 2.469696 180.9033 2.350067 181.3854 2.341682 181.8675 2.386772 182.3496 2.544357 182.8317 2.727562 183.3138 2.715561 183.7960 2.449646 184.2781 2.081917 184.7602 1.804588 185.2423 1.612465 185.7244 1.477806 186.2065 1.374321 186.6887 1.311546 187.1708 1.344818 187.6529 1.506836 188.1350 1.707474 188.6171 1.755081 189.0992 1.655533 189.5814 1.590523 190.0635 1.763847 190.5456 2.121391 191.0277 2.250397 191.5098 2.067268 191.9919 1.698967 192.4741 1.359566 192.9562 1.046875 193.4383 0.8240360 193.9204 0.7790450 194.4025 0.8998180 194.8846 0.9712980 195.3668 0.9494860 195.8489 0.8857420 196.3310 0.9691470 196.8131 1.237015 197.2952 1.365929 197.7773 1.010201 198.2595 0.1503910 198.7416 0.4402540 199.2237 0.6490400 199.7058 0.5469890 200.1879 0.2507480 200.6700 0.2986600 201.1522 0.7962420 201.6343 0.9737550 202.1164 0.7871090 202.5985 0.7740330 203.0806 1.106110 203.5627 1.595276 204.0449 1.535690 204.5270 0.7642670 205.0091 2.1309000E-02 205.4912 0.2401430 205.9733 0.2513280 206.4554 0.4058230 206.9376 3.3172999E-02 207.4197 0.8551860 207.9018 1.241348 208.3839 1.080360 208.8660 0.7646480 209.3481 0.5652620 209.8303 0.5146260 210.3124 0.4142990 210.7945 0.2094190 211.2766 5.6511000E-02 211.7587 0.2040710 212.2408 0.1992260 212.7230 0.1492000 213.2051 0.1369400 213.6872 0.1964110 214.1693 0.1641010 214.6514 1.8440001E-02 215.1335 0.3081740 215.6157 0.4951250 216.0978 0.5579610 216.5799 0.5639650 217.0620 0.5745620 217.5441 0.6424030 218.0262 0.5464480 218.5084 0.1910250 218.9905 0.3531040 219.4726 0.6992490 219.9547 0.7844470 220.4368 0.7934720 220.9189 0.8390810 221.4011 0.9368970 221.8832 1.044228 222.3653 1.194725 222.8474 1.355492 223.3295 1.366508 223.8116 1.149033 224.2938 0.9040910 224.7759 0.7340090 225.2580 0.6041180 225.7401 0.6468200 226.2222 0.9487920 226.7043 1.429626 227.1865 1.770500 227.6686 1.924194 228.1507 1.994423 228.6328 2.017250 229.1149 1.928688 229.5970 1.943161 230.0792 2.088875 230.5613 2.348114 231.0434 2.662003 231.5255 3.107376 232.0076 3.490959 232.4897 3.684067 232.9719 3.566582 233.4540 3.525826 233.9361 3.550262 234.4182 3.665619 234.9003 3.981438 235.3824 4.621498 235.8646 5.285988 236.3467 5.813911 236.8288 6.098671 237.3109 6.493118 237.7930 7.089561 238.2751 7.788368 238.7573 8.222992 239.2394 8.097496 239.7215 8.132942 240.2036 8.723961 240.6857 10.30381 241.1678 11.43320 241.6500 11.91266 242.1321 11.99158 242.6142 12.32024 243.0963 13.01689 243.5784 13.78831 244.0605 14.50084 244.5427 15.11195 245.0248 15.78511 245.5069 16.52203 245.9890 17.32518 246.4711 18.18919 246.9532 19.14656 247.4354 20.12823 247.9175 21.09547 248.3996 22.03982 248.8817 23.02580 249.3638 24.08511 249.8459 25.17095 250.3281 26.16052 250.8102 26.88383 251.2923 27.81425 251.7744 29.13610 252.2565 30.88878 252.7386 32.82940 253.2208 35.04302 253.7029 37.38097 254.1850 39.61386 254.6671 41.56949 255.1492 43.76712 255.6313 46.38466 256.1135 49.46224 256.5956 52.53844 257.0777 55.40361 257.5598 58.45975 258.0419 62.21604 258.5240 66.65331 259.0062 71.72449 259.4883 77.55547 259.9704 84.07902 260.4525 90.75949 260.9346 97.43195 261.4167 104.3615 261.8989 111.7433 262.3810 119.2746 262.8631 127.9441 263.3452 138.1704 263.8273 150.1011 264.3094 161.4173 264.7916 172.0072 265.2737 182.4165 265.7558 193.7148 266.2379 206.5692 266.7200 217.9946 267.2021 227.3658 267.6843 234.7712 268.1664 241.5704 268.6485 247.7509 269.1306 253.3378 269.6127 258.2585 270.0948 262.4734 270.5770 266.1071 271.0591 269.1134 271.5412 271.5137 272.0233 273.5378 272.5054 275.2345 272.9875 276.3399 273.4697 276.4330 273.9518 275.3596 274.4339 274.4953 274.9160 273.9380 275.3981 273.7281 275.8802 273.9874 276.3624 274.7079 276.8445 275.9700 277.3266 277.9084 277.8087 280.5566 278.2908 283.4117 278.7729 286.4232 279.2551 289.6343 279.7372 293.3759 280.2193 297.8901 280.7014 301.6662 281.1835 304.3198 281.6656 305.8425 282.1478 304.8332 282.6299 301.1428 283.1120 295.0945 283.5941 287.2727 284.0762 277.6458 284.5583 265.7988 285.0405 250.8087 285.5226 232.9845 286.0047 214.8506 286.4868 196.1605 286.9689 178.0302 287.4510 162.0434 287.9332 148.1524 288.4153 135.1833 288.8974 122.9697 289.3795 111.4397 289.8616 100.6613 290.3438 90.58385 290.8259 81.59750 291.3080 74.36340 291.7901 68.75703 292.2722 63.62172 292.7543 58.69882 293.2365 54.04970 293.7186 49.95906 294.2007 46.48711 294.6828 43.33867 295.1649 40.24161 295.6470 37.26125 296.1292 34.49043 296.6113 31.95761 297.0934 29.74422 297.5755 28.03647 298.0576 26.79416 298.5397 25.69144 299.0219 24.47855 299.5040 23.20270 299.9861 21.98775 300.4682 20.87834 300.9503 19.80022 301.4324 18.54911 301.9146 17.20875 302.3967 16.07615 302.8788 15.56451 303.3609 15.31433 303.8430 14.79393 304.3251 13.87744 304.8073 12.86791 305.2894 12.02089 305.7715 11.30083 306.2536 10.59911 306.7357 9.771172 307.2178 8.983856 307.7000 8.466927 308.1821 8.261696 308.6642 8.074158 309.1463 7.568497 309.6284 6.956802 310.1105 6.565178 310.5927 6.743210 311.0748 7.042206 311.5569 7.189522 312.0390 7.174255 312.5211 7.013046 313.0032 6.608444 313.4854 6.104744 313.9675 5.659836 314.4496 5.340309 314.9317 5.082581 315.4138 4.932068 315.8959 4.865036 316.3781 4.660812 316.8602 4.088806 317.3423 3.466316 317.8244 3.031334 318.3065 2.966949 318.7886 2.910126 319.2708 2.716461 319.7529 2.436745 320.2350 2.212662 320.7171 2.090851 321.1992 2.031967 321.6813 2.036285 322.1635 2.170326 322.6456 2.210709 323.1277 1.960022 323.6098 1.611557 324.0919 1.488716 324.5740 2.007637 325.0562 2.425995 325.5383 2.500244 326.0204 2.155052 326.5025 1.734474 326.9846 1.054436 327.4667 0.3957980 327.9489 5.1888000E-02 328.4310 0.4581070 328.9131 0.6917800 329.3952 0.4526520 329.8773 0.2815480 330.3594 0.4862370 330.8416 0.3620150 331.3237 1.299606 331.8058 1.612778 332.2879 0.7999420 332.7700 0.2151110 333.2521 4.9290000E-03 333.7343 8.7577999E-02 334.2164 0.2909470 334.6985 0.7304920 335.1806 1.083282 335.6627 1.174164 336.1448 0.9526440 336.6270 0.5675200 337.1091 0.1269680 337.5912 0.8650360 338.0733 1.022972 338.5554 0.4092410 339.0375 0.1655500 339.5197 0.3398820 340.0018 8.5441999E-02 340.4839 7.0854001E-02 340.9660 0.1293720 341.4481 8.9813001E-02 341.9302 0.1208720 342.4124 0.5281980 342.8945 0.7828290 343.3766 0.7508090 343.8587 0.4851150 344.3408 0.1985320 344.8229 0.1185530 345.3051 0.3905870 345.7872 0.5629580 346.2693 0.6318210 346.7514 0.5532530 347.2335 0.2739790 347.7156 0.1030880 348.1978 0.4645540 348.6799 0.7888490 349.1620 0.8589940 349.6441 0.1809230 350.1262 0.8254620 350.6083 1.061401 351.0905 0.2789610 351.5726 0.7687450 352.0547 1.369652 352.5368 1.555099 353.0189 1.413879 353.5010 0.5933760 353.9832 0.3425370 354.4653 0.6330340 354.9474 0.2309570 355.4295 0.3113170 355.9116 0.6163640 356.3937 0.7716140 356.8759 0.9019320 357.3580 0.9110790 357.8401 1.029533 358.3222 1.660889 358.8043 2.673805 359.2864 3.248917 359.7686 2.561478 360.2507 1.477684 360.7328 0.7135090 361.2149 0.3882290 361.6970 0.3916090 362.1791 0.9499130 362.6613 1.811905 363.1434 2.396019 363.6255 2.386322 364.1076 2.163116 364.5897 1.829979 365.0718 1.300224 365.5540 1.004150 366.0361 1.225159 366.5182 1.652641 367.0003 1.912834 367.4824 1.739967 367.9645 1.628487 368.4467 1.780891 368.9288 2.218872 369.4109 2.350494 369.8930 1.861099 370.3751 1.308174 370.8572 1.093666 371.3394 1.625977 371.8215 1.797340 372.3036 1.281021 372.7857 0.3451390 373.2678 8.8809999E-03 373.7499 0.5793690 374.2321 1.202522 374.7142 1.444603 375.1963 1.177895 375.6784 1.060326 376.1605 1.106361 376.6426 1.283203 377.1248 1.590202 377.6069 2.078018 378.0890 2.440849 378.5711 2.512375 379.0532 2.322426 379.5353 2.303101 380.0175 2.505440 380.4996 2.637871 380.9817 2.279236 381.4638 1.515106 381.9459 1.056915 382.4280 1.123749 382.9102 1.538109 383.3923 2.063972 383.8744 2.639282 384.3565 3.026016 384.8386 2.856209 385.3207 2.403915 385.8029 2.309425 386.2850 2.706635 386.7671 3.075935 387.2492 2.738228 387.7313 1.944839 388.2134 1.309059 388.6956 1.308029 389.1777 1.497314 389.6598 1.459068 390.1419 1.207062 390.6240 1.055359 391.1061 1.371109 391.5883 1.814339 392.0704 2.008957 392.5525 1.639366 393.0346 1.301849 393.5167 1.333031 393.9988 1.625824 394.4810 1.854584 394.9631 1.777733 395.4452 1.620689 395.9273 1.566170 396.4094 1.749474 396.8915 1.855980 397.3737 1.638977 397.8558 1.341507 398.3379 1.255959 398.8200 1.601959 399.3021 1.970253 399.7842 2.399345 400.2664 2.877548 400.7485 2.924706 401.2306 2.110115 401.7127 1.282501 402.1948 1.012962 402.6769 1.640221 403.1591 2.052917 403.6412 2.199333 404.1233 2.104759 404.6054 1.750473 405.0875 1.001274 405.5696 0.4581990 406.0518 0.4623260 406.5339 1.036781 407.0160 1.163200 407.4981 0.7027050 407.9802 0.1221920 408.4623 0.1984710 408.9445 0.9840160 409.4266 1.574028 409.9087 1.662872 410.3908 1.425697 410.8729 1.213486 411.3550 1.027214 411.8372 0.8534770 412.3193 0.7226330 412.8014 0.6729740 413.2835 0.6690140 413.7656 0.6594160 414.2477 0.7579190 414.7299 1.360405 415.2120 2.185089 415.6941 2.539108 416.1762 1.633720 416.6583 0.4153670 417.1404 0.3580320 417.6226 0.6739500 418.1047 0.6152950 418.5868 0.1195830 419.0689 1.032524 419.5510 1.670746 420.0331 1.864700 420.5153 1.824257 420.9974 1.404404 421.4795 0.7910540 421.9616 0.4704740 422.4437 0.7940290 422.9258 1.242073 423.4080 1.626808 423.8901 1.955833 424.3722 2.167961 424.8543 2.260384 425.3364 2.235909 425.8185 2.082832 426.3007 1.595551 426.7828 1.290871 427.2649 1.359169 427.7470 1.709373 428.2291 1.682472 428.7112 0.9979780 429.1934 0.4226460 429.6755 0.4977720 430.1576 1.446251 430.6397 1.827133 431.1218 1.435265 431.6039 0.7538300 432.0861 0.4602810 432.5682 0.5720060 433.0503 0.8217470 433.5324 1.265038 434.0145 1.749268 434.4966 1.587334 434.9788 0.7571790 435.4609 3.9841000E-02 435.9430 0.1347660 436.4251 0.2702100 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2.181061 462.9415 1.939255 463.4236 1.617065 463.9058 1.405174 464.3879 1.528885 464.8700 1.921951 465.3521 2.040306 465.8342 1.185760 466.3163 0.4381480 466.7985 0.4623870 467.2806 2.084167 467.7627 3.051094 468.2448 2.729210 468.7269 1.919273 469.2090 1.878868 469.6912 3.238579 470.1733 4.239349 470.6554 4.395340 471.1375 3.784325 471.6196 3.371040 472.1017 3.176712 472.5839 3.166847 473.0660 3.474976 473.5481 4.105972 474.0302 4.149696 474.5123 3.381645 474.9944 2.378181 475.4766 2.144165 475.9587 2.583893 476.4408 2.952187 476.9229 2.744659 477.4050 2.327881 477.8871 2.377266 478.3693 2.846695 478.8514 3.307922 479.3335 3.351036 479.8156 3.260666 480.2977 3.403816 480.7798 3.902817 481.2620 4.424301 481.7441 4.831955 482.2262 5.122078 482.7083 5.289558 483.1904 4.844009 483.6725 4.746208 484.1547 5.834969 484.6368 7.949944 485.1189 8.957565 485.6010 7.795731 486.0831 6.034462 486.5652 4.410339 487.0474 2.693153 487.5295 1.620354 488.0116 1.509209 488.4937 1.820724 488.9758 1.793106 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0.4518740 1221.793 0.4843140 1222.275 1.189789 1222.757 2.422272 1223.240 2.787109 1223.722 2.347595 1224.204 1.921021 1224.686 1.833374 1225.168 1.678070 1225.650 0.6703800 1226.132 4.7240999E-02 1226.614 0.7924800 1227.096 2.911682 1227.579 2.579681 1228.061 0.1157230 1228.543 1.555237 1229.025 1.092102 1229.507 0.1458740 1229.989 0.6382450 1230.471 1.235718 1230.953 1.633148 1231.436 1.830505 1231.918 1.736786 1232.400 1.407654 1232.882 1.261108 1233.364 1.688202 1233.846 1.919373 1234.328 1.445190 1234.810 0.7405090 1235.292 2.3314999E-02 1235.775 0.7382510 1236.257 0.3133850 1236.739 1.008118 1237.221 1.900879 1237.703 1.269165 1238.185 0.9724430 1238.667 2.314972 1239.149 3.629730 1239.632 3.561951 1240.114 2.403656 1240.596 1.953979 1241.078 2.041199 1241.560 1.928864 1242.042 0.6567080 1242.524 0.1070860 1243.006 1.120178 1243.489 2.438293 1243.971 3.286957 1244.453 3.612762 1244.935 2.711639 1245.417 1.000336 1245.899 5.7983000E-02 1246.381 1.054596 1246.863 2.220398 1247.345 3.515930 1247.828 4.445709 1248.310 4.297211 1248.792 3.529602 1249.274 3.370575 1249.756 3.696259 1250.238 4.016998 1250.720 4.417450 1251.202 4.272797 1251.684 3.297089 1252.167 2.473114 1252.649 3.035980 1253.131 4.157623 1253.613 4.128876 1254.095 3.238098 1254.577 2.489624 1255.059 2.146393 1255.541 1.914917 1256.023 1.766327 1256.506 1.728424 1256.988 2.116058 1257.470 2.557983 1257.952 2.294403 1258.434 1.637299 1258.916 1.530731 1259.398 2.446838 1259.880 2.715485 1260.363 2.108795 1260.845 1.686218 1261.327 2.976929 1261.809 4.347778 1262.291 3.829773 1262.773 2.095001 1263.255 1.004944 1263.737 0.7265010 1264.219 0.5801700 1264.702 0.6211550 1265.184 0.8025210 1265.666 0.9891970 1266.148 1.462158 1266.630 1.918793 1267.112 2.170532 1267.594 1.811493 1268.076 0.7515560 1268.559 0.6061400 1269.041 1.349335 1269.523 2.460388 1270.005 4.275391 1270.487 5.346588 1270.969 4.226318 1271.451 2.210052 1271.933 0.7760310 1272.416 6.3446000E-02 1272.898 0.3027950 1273.380 1.777954 1273.862 3.046326 1274.344 3.479248 1274.826 3.332581 1275.308 2.343781 1275.790 1.244598 1276.272 1.123535 1276.755 1.668671 1277.237 1.514587 1277.719 0.7389530 1278.201 0.4450680 1278.683 1.985901 1279.165 2.742493 1279.647 1.946686 1280.129 0.8431400 1280.611 0.9533080 1281.094 1.734772 1281.576 2.119629 1282.058 2.092499 1282.540 1.840698 1283.022 0.9657590 1283.504 0.8733830 1283.986 1.981049 1284.468 2.923462 1284.950 1.800385 1285.433 5.9296001E-02 1285.915 0.3979490 1286.397 0.2467350 1286.879 1.017120 1287.361 1.832886 1287.843 2.717651 1288.325 3.715088 1288.807 4.367096 1289.290 4.079224 1289.772 3.461517 1290.254 2.910217 1290.736 2.477478 1291.218 2.281555 1291.700 2.369843 1292.182 1.860077 1292.664 0.6959530 1293.146 0.1002810 1293.629 0.3230900 1294.111 1.097748 1294.593 2.314362 1295.075 3.411072 1295.557 3.655426 1296.039 3.158173 1296.521 2.818451 1297.003 2.653595 1297.486 2.429138 1297.968 1.561615 1298.450 1.447418 1298.932 2.921356 1299.414 4.360107 1299.896 3.577820 1300.378 1.459686 1300.860 0.2361450 1301.343 1.0529000E-02 1301.825 0.0000000E+00