Version2.0
2020-07-30T18:06:08Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
10-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1cccc(c1OCc2ccc(cc2)Cl)C[NH2+]C(C)(C)CC(C)(C)C C13730234
RHF
6-31G(d)
(6D,7F)
CCOc1cccc(c1OCc2ccc(cc2)Cl)C[NH2+]C(C)(C)CC(C)(C)C
C01[X(C24H35Cl1N1O2)]
183
C1
494
CCOc1cccc(c1OCc1ccc(cc1)Cl)C[NH2+]C(CC(C)(C)C)(C)C
CCOc1cccc(c1OCc1ccc(cc1)Cl)C[NH2+]C(CC(C)(C)C)(C)C
CCOc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc2ccc(Cl)cc2
InChIKey=UZJSKYZLOAXWQF-UHFFFAOYSA-O
InChI=1S/C24H34ClNO2/c1-7-27-21-10-8-9-19(15-26-24(5,6)17-23(2,3)4)22(21)28-16-18-11-13-20(25)14-12-18/h8-14,26H,7,15-17H2,1-6H3/p+1
InChI=1/C24H34ClNO2/c1-7-27-21-10-8-9-19(15-26-24(5,6)17-23(2,3)4)22(21)28-16-18-11-13-20(25)14-12-18/h8-14,26H,7,15-17H2,1-6H3/p+1/fC24H35ClNO2/h26H/q+1
CCOc1cccc(c1OCc2ccc(cc2)Cl)C[NH2+]C(C)(C)CC(C)(C)C
C01[X(C24H35Cl1N1O2)]
183
C01
494
CCOc1cccc(c1OCc1ccc(cc1)Cl)C[NH2+]C(CC(C)(C)C)(C)C
CCO[C]1[CH][CH][CH][C]([C]1OC[C]1[CH][CH][C]([CH][CH]1)Cl)C[NH2]C(CC(C)(C)C)(C)C
CCO[C]1[CH][CH][CH][C](C[NH2]C(C)(C)CC(C)(C)C)[C]1OC[C]2[CH][CH][C](Cl)[CH][CH]2
InChIKey=WPUGUQAGCJLLTQ-UHFFFAOYSA-N
InChI=1S/C24H35ClNO2/c1-7-27-21-10-8-9-19(15-26-24(5,6)17-23(2,3)4)22(21)28-16-18-11-13-20(25)14-12-18/h8-14H,7,15-17,26H2,1-6H3
InChI=1/C24H35ClNO2/c1-7-27-21-10-8-9-19(15-26-24(5,6)17-23(2,3)4)22(21)28-16-18-11-13-20(25)14-12-18/h8-14H,7,15-17,26H2,1-6H3
2948.3680364116
-1592.6714883
1-A
13173.4453
109
385
494
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.01031 0.03062 0.04014 0.04112 0.05811 0.09873 0.10768 0.11895 0.12637 0.13144 0.13827 0.13881 0.14645 0.15540 0.16244 0.17199 0.18122 0.18440 0.18755 0.18925 0.19719 0.19858 0.20267 0.20709 0.21234 0.21311 0.21555 0.21964 0.22436 0.22698 0.23010 0.23461 0.23843 0.24279 0.24331 0.24677 0.25112 0.25768 0.26261 0.26499 0.27118 0.27414 0.28002 0.28532 0.28797 0.29155 0.29776 0.30486 0.30860 0.31253 0.31498 0.32360 0.32952 0.33443 0.34856 0.35527 0.36306 0.36602 0.37393 0.37736 0.40714 0.42785 0.43204 0.45176 0.45635 0.48244 0.51155 0.52954 0.53875 0.54996 0.55837 0.56315 0.56524 0.57631 0.57819 0.58904 0.59666 0.60646 0.61292 0.61415 0.62466 0.63608 0.64214 0.64311 0.65703 0.66143 0.66543 0.66818 0.67913 0.68225 0.68868 0.69230 0.70382 0.71190 0.71676 0.72085 0.72727 0.72914 0.73796 0.73918 0.74688 0.75013 0.75319 0.75925 0.76577 0.77496 0.78116 0.78645 0.78721 0.79296 0.79872 0.80750 0.81075 0.82047 0.82865 0.83705 0.84744 0.85591 0.86176 0.86836 0.88684 0.89448 0.89995 0.90577 0.91852 0.92573 0.92845 0.93403 0.94797 0.94829 0.97983 0.98818 0.99543 0.99712 0.99848 1.00216 1.01114 1.02105 1.02407 1.02563 1.02897 1.03063 1.03785 1.04236 1.04294 1.04503 1.04775 1.04987 1.05569 1.06046 1.06689 1.07120 1.07379 1.07602 1.07843 1.08523 1.08865 1.09634 1.10024 1.10141 1.10530 1.10880 1.11354 1.11784 1.12103 1.12427 1.12619 1.13320 1.13446 1.13755 1.14232 1.14937 1.16162 1.16579 1.16868 1.17548 1.18077 1.18846 1.19672 1.20316 1.20532 1.20852 1.21784 1.22059 1.25302 1.25689 1.27596 1.29144 1.29918 1.30382 1.32197 1.32348 1.32895 1.33892 1.35176 1.36733 1.38913 1.39960 1.40536 1.41253 1.43048 1.46036 1.47377 1.47551 1.48293 1.51406 1.53197 1.54034 1.55186 1.57168 1.59031 1.59608 1.60434 1.60969 1.61834 1.62661 1.63169 1.63674 1.64718 1.65287 1.65556 1.66991 1.68349 1.68938 1.69312 1.70076 1.70908 1.73599 1.74083 1.75399 1.76048 1.82713 1.83026 1.85428 1.86246 1.87814 1.91384 1.91614 1.92522 1.93528 1.95535 1.95742 1.96527 1.98983 1.99728 2.00548 2.01269 2.01926 2.03285 2.03903 2.04088 2.05217 2.06022 2.08581 2.09090 2.09681 2.10517 2.11331 2.12358 2.12895 2.13766 2.14137 2.15270 2.17351 2.18044 2.18262 2.19877 2.20333 2.22004 2.22415 2.23255 2.23888 2.27305 2.28167 2.29267 2.29833 2.30269 2.30821 2.31661 2.31995 2.32815 2.34978 2.35755 2.36296 2.36692 2.37250 2.37392 2.38855 2.39472 2.40867 2.42034 2.43193 2.44160 2.45396 2.47568 2.47781 2.48384 2.48482 2.48979 2.50426 2.50695 2.50888 2.52056 2.52498 2.52711 2.53109 2.53950 2.54561 2.55222 2.55969 2.57308 2.58390 2.60411 2.62605 2.63117 2.64178 2.65290 2.66397 2.70039 2.72526 2.75505 2.76632 2.77951 2.81705 2.82570 2.84183 2.84864 2.86359 2.87405 2.88675 2.91148 2.91633 2.92451 2.93738 2.96136 2.96792 2.97354 2.97821 2.97970 3.00154 3.02136 3.03129 3.03472 3.04927 3.05568 3.07243 3.07940 3.11777 3.15337 3.19404 3.23030 3.30204 3.33572 3.39334 3.57736 3.69994 3.74579 4.24157 4.34553 4.40455 4.41789 4.43889 4.45274 4.46719 4.49573 4.51374 4.55047 4.56903 4.59348 4.60952 4.64324 4.64833 4.65812 4.67663 4.68630 4.70026 4.73835 4.75854 4.77138 4.79922 4.96536 5.00255 5.04171 5.04883 5.37963
11.66978
5.5242 7.3109 -1.4422
9.2761
|XX|YY|ZZ|XY|XZ|YZ|
-140.6119 -133.8498 -159.4950 -12.8813 3.1453 -9.6882
|XX|YY|ZZ|XY|XZ|YZ|
4.0403 10.8025 -14.8428 -12.8813 3.1453 -9.6882
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
191.1271 86.3416 -7.7011 51.0951 2.8281 26.3159 -15.7667 -3.9006 4.4595 -29.0580
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-7985.5049 -6374.5331 -1928.9807 -232.8352 146.9322 -236.9474 -192.1479 38.3107 -34.8437 -2363.7119 -1740.1379 -1369.2567 -126.0871 28.7393 -15.0995
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
9.2878 19.0749 24.9014 30.0426 40.6232 45.5365 58.1400 63.3693 89.6100 103.3554 110.4102 123.7143 129.0226 152.9251 174.7826 190.2071 214.7652 222.9145 245.9470 258.5959 272.5079 282.0863 286.7457 292.2349 303.1541 315.0968 327.5018 328.5389 340.3352 350.0735 355.7588 372.8565 374.6624 393.6638 397.6619 413.8006 424.7946 444.9558 448.3328 453.9790 462.1795 480.7082 530.9125 561.7866 581.8593 602.2571 619.4433 630.9338 638.7073 665.8521 695.8527 731.5865 779.4869 787.8482 805.7841 812.7700 845.6385 871.7852 887.9209 891.4885 905.9420 922.1142 924.0633 946.1404 952.2101 964.5774 969.6124 998.5777 1014.9290 1020.1155 1023.5008 1037.7099 1051.7432 1056.9942 1068.8824 1079.8088 1090.6815 1095.4663 1097.9738 1108.9639 1110.9084 1116.2916 1123.2499 1134.6910 1155.3365 1164.5529 1192.0341 1193.0169 1203.0269 1210.8166 1224.3198 1248.9708 1261.9136 1285.7295 1289.6461 1297.3650 1304.9477 1325.7104 1332.3131 1340.1912 1351.0459 1363.2128 1364.2638 1385.4020 1389.6088 1395.2484 1426.7455 1434.4385 1449.7031 1458.9632 1481.6830 1502.3610 1533.9432 1546.2067 1548.9556 1554.8374 1560.5682 1563.8778 1571.2013 1572.8459 1584.4104 1589.6568 1595.2048 1601.9209 1622.9404 1628.6746 1629.3552 1631.7113 1636.1124 1638.3399 1642.4911 1643.6932 1644.1654 1648.9518 1653.0184 1658.6766 1665.1904 1666.0243 1668.5024 1673.9965 1676.2018 1677.3482 1681.7340 1770.2541 1792.3487 1799.8140 1809.8968 1828.8857 3183.8950 3191.6155 3206.3248 3217.8480 3219.9651 3222.3139 3224.7032 3236.6057 3240.6294 3254.8407 3256.5377 3266.1907 3269.0039 3274.5543 3277.0483 3286.5586 3293.6406 3294.1420 3296.6898 3300.4388 3306.4327 3310.2972 3317.6141 3326.5573 3338.2466 3362.4297 3370.4732 3376.8742 3376.9399 3395.2522 3404.8524 3405.8665 3421.3796 3667.6087 3735.0163
5.4044 5.0234 3.2512 3.5689 3.9586 3.7043 4.0001 4.5152 4.3266 4.5530 2.0243 2.9947 3.0270 3.1872 4.8810 2.5991 3.2474 4.0385 2.8277 1.2032 1.7778 1.9675 1.8133 1.6570 1.6239 1.6551 1.4865 2.1245 1.8101 3.8054 3.3555 2.8184 1.2814 3.2585 2.1577 2.1799 3.0692 2.4835 2.1194 5.0382 3.3189 2.2748 2.3455 3.3329 3.8859 4.1064 3.6827 4.1869 4.3344 4.9843 6.9048 4.8644 4.1630 3.9684 4.0564 3.9556 2.7047 1.3695 1.5964 3.8932 1.1364 2.2337 2.1976 1.9909 1.2665 2.3694 2.5201 2.0628 1.4129 1.8950 1.7406 1.5006 1.2528 2.1234 2.3530 1.4664 2.3825 2.2106 1.8850 1.4393 1.3669 3.2277 2.8009 1.3703 1.4452 1.5127 2.1559 3.1237 1.9270 2.9972 2.6791 2.1557 1.6274 1.8938 2.7339 1.5092 1.1542 1.7501 2.5469 1.8617 2.1512 2.1861 3.9348 1.2235 1.8612 2.4010 1.7745 1.0978 2.8243 1.2794 1.3440 1.3704 1.3452 1.3205 1.3210 1.3118 1.2556 1.2611 1.8556 1.3115 1.3470 1.2221 1.2328 1.2413 1.0784 1.0404 1.0626 1.0521 1.0564 1.0729 1.5560 1.4182 1.0800 1.0900 1.0937 1.1297 1.1183 1.2696 1.3674 1.1533 2.1834 1.0591 1.3142 6.2696 5.6897 6.7634 5.3968 1.0754 1.0689 1.0441 1.0382 1.0418 1.0421 1.0416 1.0508 1.0401 1.0696 1.0973 1.0951 1.1099 1.1020 1.1023 1.1002 1.1008 1.0995 1.1034 1.0999 1.1063 1.0962 1.0819 1.0857 1.1034 1.0976 1.0914 1.0953 1.0922 1.1046 1.0948 1.0951 1.0958 1.0942 1.0567 1.0944
0.0003 0.0011 0.0012 0.0019 0.0038 0.0045 0.0080 0.0107 0.0205 0.0287 0.0145 0.0270 0.0297 0.0439 0.0879 0.0554 0.0882 0.1182 0.1008 0.0474 0.0778 0.0922 0.0878 0.0834 0.0879 0.0968 0.0939 0.1351 0.1235 0.2748 0.2502 0.2309 0.1060 0.2975 0.2010 0.2199 0.3263 0.2897 0.2510 0.6118 0.4177 0.3097 0.3895 0.6198 0.7751 0.8775 0.8326 0.9820 1.0418 1.3020 1.9699 1.5339 1.4903 1.4513 1.5518 1.5396 1.1396 0.6132 0.7415 1.8230 0.5495 1.1190 1.1056 1.0501 0.6766 1.2989 1.3959 1.2119 0.8575 1.1619 1.0743 0.9521 0.8165 1.3978 1.5839 1.0074 1.6698 1.5630 1.3389 1.0429 0.9939 2.3697 2.0821 1.0395 1.1365 1.2087 1.8049 2.6195 1.6432 2.5890 2.3661 1.9812 1.5269 1.8445 2.6790 1.4966 1.1581 1.8122 2.6637 1.9701 2.3136 2.3936 4.3149 1.3836 2.1175 2.7539 2.1282 1.3309 3.4972 1.6045 1.7385 1.8224 1.8649 1.8600 1.8674 1.8685 1.8017 1.8172 2.6990 1.9115 1.9923 1.8195 1.8483 1.8768 1.6735 1.6260 1.6621 1.6505 1.6662 1.6967 2.4733 2.2576 1.7202 1.7462 1.7607 1.8312 1.8270 2.0762 2.2429 1.9042 3.6145 1.7556 2.1900 11.5762 10.7692 12.9083 10.4158 2.1193 6.3844 6.2662 6.2887 6.3556 6.3661 6.3719 6.4380 6.4193 6.6182 6.8489 6.8428 6.9763 6.9382 6.9638 6.9610 7.0054 7.0274 7.0544 7.0431 7.0999 7.0607 6.9854 7.0406 7.1938 7.2069 7.2700 7.3312 7.3379 7.4220 7.4357 7.4801 7.4894 7.5464 8.3745 8.9949
0.5185 0.4317 0.2095 0.1068 0.3678 0.0150 0.1955 1.3537 1.3532 2.1318 1.1818 5.6955 2.3352 2.5013 0.4286 0.2307 1.3626 1.9140 0.4399 0.6221 0.6289 0.7891 0.5914 3.5848 3.8135 2.3009 0.0985 5.1978 2.2736 2.4622 6.4646 0.4447 0.3625 0.6161 0.4584 1.7135 2.0104 2.7473 0.1131 10.3889 1.4830 11.6823 1.5448 9.8622 0.7949 1.0798 1.7232 10.2604 1.0039 4.7444 0.4329 7.2518 4.0378 3.7534 1.1266 0.6879 14.8882 14.5486 41.3343 3.8643 4.2213 52.0179 14.6657 4.2762 1.7619 55.6809 5.7398 17.4038 2.5572 14.2976 15.2832 0.9285 3.5801 17.8356 15.9327 0.4856 70.0221 14.8815 3.3574 8.9680 0.0312 10.6270 88.2549 6.2399 7.1698 19.5321 13.3042 88.3950 35.1134 64.3746 42.7545 60.4283 31.9176 13.3362 1.3112 5.6487 0.8030 1.8141 1.2445 10.1816 9.8720 38.2866 237.9229 6.1467 10.7622 4.6304 23.7647 1.8821 274.1896 5.1551 19.7768 19.6705 21.8563 33.8770 15.2984 12.5038 1.4318 8.4876 15.8986 33.1226 52.1622 76.7817 59.2361 96.2233 10.6064 6.9796 2.4851 0.3038 0.9515 8.1747 8.0745 9.9857 10.7455 4.8810 6.5212 47.9074 32.3576 44.7229 86.6249 8.3223 46.7311 32.4134 35.3693 1.2136 42.4961 5.9001 26.9926 41.7655 13.2587 39.8739 33.0457 8.3973 27.0914 16.4125 18.0344 2.4276 29.7413 25.1714 4.5307 14.8265 37.9534 12.2764 12.4284 52.3010 8.4922 33.7485 54.5247 47.5399 12.2966 10.4340 19.1084 15.5259 7.8213 12.1179 1.5466 6.0561 4.9805 10.1461 2.8217 0.3831 4.0029 67.4066 77.6821
1.1960 1.4879 1.1185 0.6740 2.8255 4.7955 1.4681 1.0856 2.4212 1.1528 0.3888 0.1260 1.5003 0.3666 0.7002 0.4670 0.8526 3.5703 0.8602 0.0859 0.5870 0.7016 0.5570 0.6893 1.3899 0.2891 0.2528 2.7636 1.0797 4.3236 2.4060 1.1050 0.9276 1.6991 0.2713 0.8610 1.1618 0.2664 0.1365 0.4092 0.2292 0.8033 2.0931 2.1037 2.3701 1.9926 3.0628 2.7535 3.1166 2.2523 6.1156 3.5609 3.0624 20.2641 1.8165 3.0248 1.2218 1.7129 2.6734 9.8900 0.4589 8.3100 13.4099 6.1134 2.4461 7.7397 3.6762 12.7222 1.2751 6.0424 2.0119 4.1604 0.8813 2.9909 4.9513 1.4246 5.5928 4.3934 4.4895 1.0799 0.2708 1.0593 15.2686 0.8239 5.7698 3.1007 1.2797 6.6806 18.5501 11.7673 21.0253 4.3723 5.7707 4.2463 1.2121 1.2533 3.6193 2.2480 12.1368 6.1485 1.9388 2.7939 3.6142 6.8693 6.5228 4.2538 3.3032 11.7495 18.5567 0.9947 2.9624 6.7075 1.0080 1.4768 3.3745 12.1708 3.3312 1.0868 1.3610 4.4196 9.0731 1.9636 1.4994 4.0116 4.7523 20.7640 9.7973 12.2676 19.1640 19.0537 10.5145 8.5229 10.5960 4.9537 7.4800 3.3969 12.6510 2.3850 9.8951 9.5014 1.0440 9.7675 6.5246 3.5739 25.5520 13.5349 57.3853 4.7509 7.1806 42.9330 55.3316 123.2860 26.1105 71.1447 164.2286 117.8656 46.8893 40.9828 39.0063 76.6792 71.7482 24.4296 20.0292 128.1541 56.3878 102.6160 63.9008 18.2508 38.0711 83.8704 61.1758 53.2881 54.8743 51.4891 22.9342 39.5145 74.4264 146.9420 48.0027 132.7948 138.5870 26.5825 12.7169
0.7491 0.7471 0.7499 0.7388 0.7287 0.7451 0.7337 0.7329 0.7089 0.7032 0.7481 0.7416 0.7496 0.6508 0.7469 0.3109 0.5283 0.0815 0.5938 0.7291 0.7010 0.4275 0.6284 0.7092 0.6077 0.5092 0.6985 0.5641 0.5487 0.6981 0.2044 0.3063 0.2251 0.3916 0.7207 0.1405 0.7469 0.7181 0.1740 0.6196 0.5000 0.5642 0.1319 0.2969 0.7384 0.6832 0.2484 0.6331 0.1171 0.1031 0.7263 0.1316 0.3748 0.0316 0.2454 0.2148 0.4489 0.4719 0.6836 0.2277 0.4158 0.5047 0.0871 0.5705 0.5129 0.0647 0.5550 0.5947 0.4951 0.6404 0.4543 0.6753 0.3634 0.5854 0.4346 0.6408 0.7025 0.4006 0.4963 0.2554 0.4862 0.7147 0.4957 0.4393 0.6731 0.7106 0.1721 0.3132 0.1171 0.0937 0.4970 0.3991 0.7494 0.5827 0.3531 0.7500 0.1877 0.7097 0.1676 0.1479 0.6940 0.4317 0.3453 0.6577 0.2877 0.3905 0.6407 0.7497 0.1300 0.5177 0.4569 0.3935 0.6607 0.7461 0.3886 0.6714 0.6989 0.6495 0.3676 0.7367 0.6247 0.7500 0.5449 0.6419 0.7274 0.7488 0.7474 0.7187 0.7441 0.7487 0.6452 0.7492 0.7480 0.6992 0.7362 0.5167 0.7351 0.3122 0.6393 0.7467 0.6632 0.7271 0.6776 0.7312 0.7487 0.7494 0.5011 0.4186 0.5730 0.0646 0.0234 0.0115 0.2336 0.0280 0.0327 0.0057 0.0763 0.6733 0.0858 0.7500 0.5908 0.7497 0.6239 0.6824 0.6256 0.6342 0.7293 0.7451 0.2569 0.1886 0.5819 0.7455 0.3128 0.4366 0.3842 0.3254 0.7270 0.3176 0.4660 0.1504 0.1882 0.0336 0.7402
0.8566 0.8553 0.8571 0.8498 0.8430 0.8539 0.8464 0.8458 0.8297 0.8258 0.8559 0.8516 0.8569 0.7884 0.8551 0.4744 0.6914 0.1507 0.7451 0.8433 0.8243 0.5989 0.7718 0.8299 0.7560 0.6748 0.8225 0.7213 0.7086 0.8222 0.3394 0.4690 0.3675 0.5628 0.8377 0.2464 0.8551 0.8359 0.2964 0.7651 0.6667 0.7214 0.2330 0.4579 0.8495 0.8118 0.3980 0.7754 0.2097 0.1869 0.8414 0.2326 0.5452 0.0613 0.3941 0.3536 0.6196 0.6412 0.8120 0.3709 0.5874 0.6709 0.1602 0.7265 0.6780 0.1215 0.7138 0.7459 0.6623 0.7808 0.6248 0.8062 0.5331 0.7385 0.6059 0.7811 0.8253 0.5720 0.6634 0.4069 0.6543 0.8336 0.6629 0.6104 0.8046 0.8308 0.2937 0.4770 0.2097 0.1714 0.6640 0.5705 0.8567 0.7363 0.5219 0.8571 0.3161 0.8302 0.2871 0.2576 0.8194 0.6031 0.5133 0.7935 0.4468 0.5617 0.7810 0.8570 0.2300 0.6822 0.6273 0.5648 0.7957 0.8546 0.5597 0.8034 0.8228 0.7875 0.5376 0.8484 0.7690 0.8571 0.7055 0.7819 0.8422 0.8564 0.8554 0.8363 0.8533 0.8563 0.7843 0.8566 0.8558 0.8230 0.8481 0.6813 0.8473 0.4759 0.7800 0.8550 0.7975 0.8420 0.8078 0.8447 0.8563 0.8568 0.6677 0.5902 0.7285 0.1213 0.0457 0.0228 0.3787 0.0544 0.0634 0.0113 0.1418 0.8047 0.1580 0.8571 0.7428 0.8569 0.7684 0.8112 0.7697 0.7762 0.8435 0.8540 0.4088 0.3173 0.7357 0.8542 0.4766 0.6078 0.5551 0.4911 0.8419 0.4821 0.6357 0.2615 0.3167 0.0651 0.8507
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63
6 6 8 6 6 6 6 6 6 8 6 6 6 6 6 6 6 17 6 7 1 1 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
11073.7717 14522.6160 21012.1653
0.99227 -0.12409 -0.00187 0.12407 0.99224 -0.00796 0.00285 0.00767 0.99997
1
0.00782 0.00596 0.00412
0.16297 0.12427 0.08589
13.36 27.44 35.83 43.22 58.45 65.52 83.65 91.17 128.93 148.71 158.86 178.00 185.63 220.03 251.47 273.67 309.00 320.72 353.86 372.06 392.08 405.86 412.56 420.46 436.17 453.35 471.20 472.69 489.67 503.68 511.86 536.46 539.06 566.39 572.15 595.37 611.18 640.19 645.05 653.17 664.97 691.63 763.86 808.29 837.17 866.51 891.24 907.77 918.96 958.01 1001.18 1052.59 1121.51 1133.54 1159.34 1169.39 1216.69 1254.30 1277.52 1282.65 1303.45 1326.72 1329.52 1361.29 1370.02 1387.81 1395.06 1436.73 1460.26 1467.72 1472.59 1493.03 1513.22 1520.78 1537.88 1553.60 1569.25 1576.13 1579.74 1595.55 1598.35 1606.09 1616.11 1632.57 1662.27 1675.53 1715.07 1716.49 1730.89 1742.10 1761.52 1796.99 1815.61 1849.88 1855.51 1866.62 1877.53 1907.40 1916.90 1928.24 1943.85 1961.36 1962.87 1993.28 1999.34 2007.45 2052.77 2063.84 2085.80 2099.12 2131.81 2161.56 2207.00 2224.65 2228.60 2237.06 2245.31 2250.07 2260.61 2262.97 2279.61 2287.16 2295.14 2304.81 2335.05 2343.30 2344.28 2347.67 2354.00 2357.21 2363.18 2364.91 2365.59 2372.47 2378.32 2386.47 2395.84 2397.04 2400.60 2408.51 2411.68 2413.33 2419.64 2547.00 2578.79 2589.53 2604.04 2631.36 4580.91 4592.02 4613.19 4629.77 4632.81 4636.19 4639.63 4656.75 4662.54 4682.99 4685.43 4699.32 4703.37 4711.35 4714.94 4728.62 4738.81 4739.54 4743.20 4748.60 4757.22 4762.78 4773.31 4786.17 4802.99 4837.79 4849.36 4858.57 4858.66 4885.01 4898.82 4900.28 4922.60 5276.87 5373.86
0.593599
0.621630
0.622574
0.532041
-1592.077889
-1592.049858
-1592.048914
-1592.139447
3.036492D-04
MUNgauss
RevisionA2.0
retrievium
30-Jul-2020
DUDE CCOc1cccc(c1OCc2ccc(cc2)Cl)C[NH2+]C(C)(C)CC(C)(C)C C13730234
RHF
6-31G(d)
(6D,10F)
C1
404.235632
|X|Y|Z|
71.039491 81.458829 38.616583
60.683499
14
|36.858105|
|12.585588|36.858105|
|8.049284|13.428421|73.516695|
|5.229337|7.957778|25.291363|36.858105|
|4.390735|6.667269|13.995096|13.727459|36.858105|
|3.332932|4.489663|9.237272|7.904107|13.731063|36.858105|
|2.968983|3.768982|8.193348|6.810181|7.922268|13.807614|36.858105|
|3.190208|3.960885|9.393119|7.877136|6.880931|7.968772|13.700277|36.858105|
|4.077641|5.223232|14.562985|13.624688|7.953131|6.895775|7.916304|13.749154|36.858105|
|4.005435|4.618650|12.506034|7.897933|5.208011|4.617772|5.245094|8.098497|13.960766|73.516695|
|4.075937|4.411890|11.210687|6.141612|4.348607|3.817319|4.137519|5.617631|7.969562|23.623654|36.858105|
|3.588778|3.589143|8.267793|4.324694|3.313423|2.986942|3.227198|4.150579|5.209196|14.222245|12.662874|36.858105|
|2.882538|2.878767|6.272239|3.411159|2.773446|2.592964|2.839956|3.548349|4.068888|9.833240|7.562330|13.748069|36.858105|
|2.558835|2.490507|5.215321|2.803017|2.345827|2.206659|2.388530|2.882634|3.220642|7.355823|5.015474|7.893426|13.723459|36.858105|
|2.656351|2.515153|5.189078|2.715766|2.270833|2.109180|2.246672|2.677976|3.037451|6.886813|4.452983|6.868079|7.977851|13.798643|36.858105|
|3.177031|2.945127|6.150105|3.107521|2.535205|2.300946|2.418934|2.902755|3.423952|7.958419|5.033994|7.899184|6.879327|7.913360|13.732480|36.858105|
|3.858960|3.646329|8.106393|3.996221|3.095729|2.744933|2.886698|3.578774|4.489634|11.376271|7.596694|13.682357|7.963852|6.872819|7.973492|13.793639|36.858105|
|2.217174|2.085066|4.150375|2.189771|1.890339|1.776475|1.877952|2.172277|2.392409|5.129440|3.167016|4.223184|4.775082|7.051972|10.966402|7.044294|4.778171|448.794386|
|2.667394|3.108317|7.034333|5.028159|4.454921|5.037104|7.552484|12.632126|7.642847|12.320900|5.161770|4.182315|3.805567|3.103287|2.812968|2.947221|3.522977|18.358259|36.858105|
|2.605400|2.949581|6.605373|4.424843|3.836421|4.103787|5.431215|7.735958|6.292236|11.808549|4.733905|4.238973|3.824283|3.240712|3.030410|3.216534|3.777090|19.842103|12.651898|53.358707|
|2.910626|3.263843|7.553397|4.909570|3.991212|4.019051|5.010226|7.395343|7.227110|15.871131|5.737285|5.199154|4.428191|3.683044|3.492712|3.825340|4.667790|22.128611|9.395742|25.667985|0.500000|
|2.577665|2.950992|6.477051|4.389053|3.958795|4.329991|5.694495|7.310296|5.847003|10.036009|4.063084|3.636784|3.248410|2.825073|2.710272|2.917521|3.383886|18.157900|9.300844|25.714040|0.329047|0.500000|
|2.206954|2.413940|5.183962|3.285978|2.933377|3.116031|3.889626|4.874088|4.253012|8.332884|3.817205|3.737255|3.638154|3.244075|3.013033|3.061867|3.382393|20.342480|7.236926|16.904979|0.253045|0.253930|36.858105|
|1.948625|2.145482|4.485026|2.876463|2.693801|2.975209|3.754628|4.323861|3.574616|6.510715|3.115039|2.976218|2.956563|2.669939|2.466969|2.473385|2.694010|17.196090|6.298426|10.459367|0.157754|0.193100|12.427023|36.858105|
|2.179803|2.334198|5.017152|3.082721|2.696583|2.787165|3.376198|4.267280|3.966445|8.331710|4.166875|4.340046|4.574073|4.069781|3.581044|3.456945|3.748363|23.667070|6.053695|10.459254|0.201288|0.158285|12.464972|7.584609|36.858105|
|2.114123|2.273395|4.770491|2.931843|2.641301|2.750392|3.261976|3.871318|3.581300|6.999816|3.241310|3.296144|3.162898|2.964558|2.896504|2.993232|3.192887|20.223061|4.876535|10.417926|0.192922|0.207886|12.277795|7.657903|7.322068|36.858105|
|2.228274|2.336054|4.877770|2.876788|2.535703|2.539839|2.887693|3.427999|3.414614|6.972292|3.277650|3.510374|3.305589|3.208062|3.298888|3.499529|3.619487|23.174998|3.969936|7.811160|0.172079|0.156138|6.887815|4.769963|5.752460|12.226611|36.858105|
|2.691754|2.820471|6.032582|3.489953|2.961924|2.866296|3.198243|3.897199|4.142150|8.784486|3.915145|4.177472|3.647326|3.441556|3.646534|4.173366|4.539155|24.448654|4.214494|8.210378|0.208851|0.166594|5.744632|4.040007|4.984946|7.343563|12.396996|36.858105|
|2.015125|2.099852|4.245532|2.485409|2.258198|2.271701|2.521705|2.850789|2.820863|5.489005|2.639858|2.780041|2.627446|2.594964|2.711503|2.879313|2.918455|19.977594|3.166208|5.747327|0.120866|0.123173|4.807108|3.902035|4.036385|7.749161|12.359156|7.652166|36.858105|
|2.086803|2.137314|4.418679|2.544901|2.235139|2.216116|2.487965|2.941515|2.985232|6.261469|3.152374|3.588843|3.572958|3.681169|3.832062|3.850965|3.722309|27.776753|3.408294|6.101072|0.135398|0.115050|5.554996|4.081388|5.780896|7.397520|12.384098|7.592012|7.658999|36.858105|
|17.570886|8.901178|10.227905|4.238357|3.839408|3.001539|2.648122|2.766776|3.379791|5.823239|3.323127|2.992954|2.491576|2.254438|2.342498|2.743893|3.199857|16.118961|2.345137|3.117629|0.069871|0.063458|1.971391|1.766833|1.941585|1.903243|1.999216|2.370676|1.838502|1.879068|0.500000|
|17.579879|8.861632|12.899142|4.882691|4.016713|3.138879|2.868033|3.135476|4.006214|7.284536|4.051609|3.731903|2.957783|2.666659|2.843002|3.509728|4.250855|19.039361|2.671063|3.664193|0.084795|0.074297|2.290338|1.994392|2.253969|2.233698|2.406960|2.974411|2.181485|2.248018|0.300874|0.500000|
|17.578940|8.855249|12.877534|4.865823|4.006449|3.125342|2.850660|3.115780|3.988198|7.222621|4.449323|3.940703|3.155601|2.778710|2.863088|3.409712|4.178460|18.938599|2.651286|3.485333|0.079613|0.069080|2.191255|1.931955|2.211139|2.074235|2.182023|2.606227|1.952106|2.080729|0.300980|0.300441|0.500000|
|8.845134|17.570015|16.512758|7.112058|6.788663|4.619446|3.769318|3.817827|4.791018|7.364167|3.760398|3.153475|2.579639|2.269614|2.309275|2.691238|3.248002|15.638916|2.996124|3.939531|0.087923|0.082538|2.368379|2.121078|2.241180|2.267881|2.329530|2.815300|2.130599|2.097792|0.212703|0.212207|0.173285|0.500000|
|8.842979|17.569203|16.501391|7.073218|6.750838|4.581526|3.733522|3.785951|4.765798|7.306575|4.074899|3.278086|2.708837|2.338219|2.320592|2.646048|3.216610|15.585751|2.970385|3.721989|0.082237|0.075599|2.260412|2.047376|2.200076|2.102418|2.124654|2.498245|1.916013|1.960565|0.212559|0.173326|0.212088|0.300518|0.500000|
|4.676502|7.419029|12.526679|8.906816|17.774471|8.958565|5.658237|4.960790|5.646655|7.455936|3.705183|2.939070|2.488050|2.143917|2.098159|2.344327|2.811936|14.225962|3.562218|4.322763|0.091845|0.091312|2.529542|2.346186|2.350311|2.328943|2.268635|2.633483|2.059289|2.022069|0.118065|0.114915|0.114903|0.226158|0.226466|0.500000|
|2.978939|3.899474|7.456379|5.642664|8.946714|17.737485|8.938741|5.657127|4.965480|6.513652|3.155019|2.559670|2.268092|1.964716|1.885233|2.039333|2.381529|12.963547|4.096131|4.689938|0.092560|0.101899|2.739849|2.689789|2.456674|2.461734|2.272497|2.516040|2.076001|1.996633|0.076718|0.077693|0.077414|0.114075|0.113295|0.217412|0.500000|
|2.544573|3.118497|6.502491|4.919494|5.637803|8.925002|17.719587|8.880273|5.632639|7.533800|3.486979|2.840282|2.579885|2.206551|2.068243|2.190713|2.551382|14.102805|6.967851|6.909205|0.123351|0.150177|3.850724|3.975135|3.286414|3.212684|2.762261|2.945590|2.447587|2.384799|0.064160|0.068673|0.068258|0.087300|0.086516|0.124454|0.215092|0.500000|
|3.485507|3.831178|9.130507|5.407640|4.129897|3.802166|4.239153|5.704737|7.089306|16.456800|17.573675|8.872960|7.275109|4.757626|3.983438|4.180317|5.589963|23.555106|5.492397|6.285961|0.145374|0.108295|3.806881|3.210965|4.270033|3.112594|3.029719|3.439104|2.458549|2.942308|0.081609|0.093970|0.105625|0.092116|0.103088|0.097507|0.088011|0.101103|0.500000|
|5.067254|5.438018|14.203609|6.773939|4.670248|3.861806|3.932054|4.979843|7.269036|16.515951|17.673253|8.882046|5.860695|4.290819|3.993545|4.636561|6.822561|23.606821|4.275734|5.326645|0.127516|0.097834|3.195534|2.695599|3.381126|2.808009|2.868847|3.439151|2.389895|2.749387|0.110573|0.134427|0.161481|0.120838|0.139471|0.113611|0.089206|0.091226|0.301160|0.500000|
|2.669799|2.726326|5.898303|3.316099|2.752259|2.624657|2.914059|3.625818|3.998641|9.154648|6.979155|8.905957|17.703067|8.950843|5.673136|4.954300|5.648897|31.664959|3.983707|5.171666|0.117300|0.088772|3.643886|3.053194|4.684944|3.052326|3.054438|3.263567|2.452899|3.256912|0.064800|0.074544|0.081001|0.067995|0.072819|0.068264|0.063961|0.074311|0.222621|0.150815|0.500000|
|2.252071|2.203685|4.530100|2.470562|2.116416|2.019679|2.190632|2.596246|2.816157|6.167297|4.086364|5.624975|8.884248|17.749483|8.933670|5.638763|4.954471|53.851323|2.833675|3.985350|0.089593|0.071313|3.019190|2.555948|3.838546|2.756504|2.924683|3.016036|2.409353|3.408946|0.055961|0.064589|0.067619|0.056231|0.058213|0.054024|0.050481|0.057036|0.113057|0.099187|0.215483|0.500000|
|3.125441|2.830427|5.725481|2.862484|2.375333|2.150514|2.231267|2.620745|3.062918|6.810048|4.100824|5.624583|4.957810|5.642841|8.917738|17.748889|8.907477|53.880619|2.629150|3.940550|0.094333|0.074764|2.769203|2.269138|3.026639|2.796793|3.342617|4.010036|2.851740|3.656728|0.076048|0.098276|0.091627|0.072942|0.070111|0.061864|0.053444|0.056384|0.096097|0.109174|0.107590|0.124239|0.500000|
|4.699721|4.334431|9.771947|4.516855|3.413250|2.934755|3.012849|3.694560|4.823952|11.792004|7.060546|8.908029|5.658008|4.951921|5.663569|8.950474|17.717072|31.645181|3.467646|5.072917|0.128540|0.095687|3.225191|2.594462|3.390428|3.105114|3.537377|4.651570|2.922742|3.467270|0.104607|0.151552|0.137962|0.106784|0.101734|0.086716|0.070374|0.072900|0.141170|0.195751|0.124130|0.107550|0.215079|0.500000|
|2.364780|2.742998|5.942895|4.179764|3.986808|4.778266|7.293848|8.897073|5.624042|8.883673|4.041608|3.408552|3.210341|2.704925|2.461702|2.541482|2.943583|16.526954|17.691511|12.318517|0.182097|0.221570|6.634775|7.109916|5.352237|4.568338|3.582491|3.624444|2.971775|3.091156|0.058793|0.065435|0.065059|0.074500|0.073993|0.090794|0.113298|0.222764|0.120952|0.097084|0.094444|0.070180|0.063904|0.080583|0.500000|
|2.626974|2.993266|6.771598|4.611385|3.975784|4.281468|5.809872|8.818062|6.842084|12.590487|5.887923|4.761558|4.508028|3.536328|3.081050|3.148986|3.773709|19.749433|17.673249|12.400714|0.224221|0.181792|6.719818|5.739666|6.844018|4.470735|3.762169|3.942146|2.963079|3.419644|0.063997|0.072708|0.074182|0.078281|0.080183|0.090499|0.098863|0.149540|0.189669|0.128728|0.137336|0.089939|0.076319|0.099444|0.301354|0.500000|
|1.938933|2.147568|4.492955|2.911795|2.749019|3.080976|3.961358|4.529781|3.637981|6.509588|3.190807|2.981901|3.002011|2.663862|2.410383|2.394752|2.630166|16.705106|6.887311|9.306053|0.143863|0.165060|8.709731|17.598775|6.994411|5.506515|3.895860|3.490700|3.229303|3.494225|0.048862|0.054476|0.053790|0.058467|0.057649|0.066231|0.077446|0.119045|0.094433|0.076563|0.088628|0.071405|0.060520|0.069951|0.238329|0.183481|0.500000|
|1.779711|1.930142|3.972600|2.490242|2.339686|2.545247|3.095641|3.484100|3.006562|5.563391|2.752196|2.708195|2.751784|2.557388|2.372103|2.339884|2.484771|16.922667|4.696278|7.579094|0.126255|0.143462|8.884575|17.604239|6.843526|7.072790|4.577894|3.684472|3.881854|4.132890|0.045133|0.050733|0.049170|0.053011|0.051256|0.057581|0.064901|0.090586|0.078612|0.066834|0.078779|0.069176|0.060049|0.065977|0.142289|0.125500|0.303932|0.500000|
|1.927217|2.141675|4.430573|2.871616|2.756736|3.108638|3.931579|4.305159|3.490643|6.108105|2.877269|2.706169|2.628880|2.383412|2.242768|2.285946|2.497439|15.768509|5.838026|9.567249|0.144619|0.206300|8.723622|17.547513|5.491776|6.986954|4.476359|3.883818|3.896222|3.662225|0.048799|0.054782|0.052498|0.059648|0.056759|0.066833|0.079016|0.119040|0.081353|0.070632|0.074613|0.063068|0.059053|0.068175|0.192079|0.137540|0.300173|0.302579|0.500000|
|2.385898|2.521970|5.504217|3.298702|2.793676|2.799563|3.314142|4.289176|4.273531|9.747895|4.959732|5.553108|5.875542|5.125770|4.457618|4.300276|4.711100|27.858326|5.644722|9.706268|0.220936|0.148301|8.714087|5.498221|17.613453|6.421977|6.000127|5.672246|4.056308|6.378250|0.058379|0.069152|0.067744|0.066514|0.065289|0.067705|0.067878|0.086847|0.135950|0.108085|0.158138|0.128185|0.101200|0.114019|0.130517|0.180787|0.143485|0.138829|0.122513|0.500000|
|1.967149|2.076960|4.360931|2.631661|2.342679|2.416606|2.856839|3.447335|3.244887|6.665400|3.452460|3.706756|4.027116|3.829795|3.418322|3.209658|3.322644|23.665329|4.563942|7.587037|0.147620|0.126938|8.890465|6.725945|17.603978|6.884227|5.588087|4.470214|4.077182|6.251966|0.049183|0.056658|0.055442|0.055685|0.054551|0.057705|0.060248|0.078341|0.097765|0.080341|0.113796|0.104102|0.079412|0.083403|0.118580|0.138609|0.167528|0.197858|0.138171|0.302254|0.500000|
|2.140278|2.309292|4.955623|3.083120|2.724542|2.852292|3.499160|4.405376|3.981430|8.119743|4.236435|4.235071|4.604389|3.954207|3.349360|3.190494|3.503648|22.131803|6.479183|9.196653|0.170839|0.141073|8.778579|7.151364|17.581590|5.401550|4.362346|4.004978|3.304484|4.371571|0.053078|0.060545|0.060805|0.061092|0.061388|0.065760|0.069931|0.095707|0.128082|0.095240|0.140642|0.105859|0.077162|0.087895|0.163836|0.228564|0.218327|0.175966|0.144055|0.301551|0.303381|0.500000|
|2.103375|2.290703|4.759615|2.967956|2.736742|2.896655|3.436509|3.937331|3.557609|6.611840|3.012063|2.967781|2.792294|2.599115|2.560641|2.690054|2.901132|18.028763|4.766509|9.894287|0.175162|0.235382|8.955394|7.170118|5.461562|17.491548|8.855973|6.573681|7.545759|5.488759|0.052891|0.061642|0.056614|0.064497|0.058827|0.067078|0.072559|0.095247|0.080227|0.074036|0.075212|0.067148|0.070825|0.080449|0.128306|0.115139|0.144370|0.176395|0.216963|0.136224|0.140687|0.123504|0.500000|
|1.892359|2.016014|4.153676|2.528320|2.315501|2.422214|2.837777|3.265379|3.015838|5.829300|2.819540|2.903034|2.875687|2.761647|2.686190|2.704905|2.808899|19.332190|4.071410|7.656040|0.141656|0.151811|9.035527|7.452248|6.606060|17.567159|8.921317|5.462698|7.134490|7.057561|0.047788|0.055256|0.051837|0.055806|0.052310|0.057454|0.061236|0.079110|0.076499|0.068625|0.078036|0.073048|0.070670|0.075103|0.110512|0.107109|0.148182|0.229808|0.184353|0.153878|0.199779|0.140385|0.307005|0.500000|
|2.808743|3.023992|6.471504|3.842951|3.302025|3.212826|3.577446|4.297234|4.507782|8.929524|3.800439|3.799446|3.261549|3.006827|3.134209|3.598561|4.046179|21.187988|4.451197|8.725747|0.214442|0.197933|5.485510|4.048063|4.421098|6.788776|8.695338|17.507145|6.829395|5.481784|0.068787|0.086069|0.073997|0.085784|0.073849|0.080960|0.077948|0.090802|0.093038|0.094743|0.082841|0.073866|0.096749|0.120100|0.106889|0.109939|0.097236|0.099838|0.113282|0.132647|0.108479|0.102823|0.195727|0.139190|0.500000|
|2.687865|2.734209|5.688305|3.168543|2.708918|2.575900|2.786690|3.293941|3.581396|7.509043|3.533325|3.883090|3.397341|3.324731|3.693618|4.347163|4.494648|25.506433|3.438628|6.139544|0.149981|0.125701|4.366473|3.306444|4.020794|5.420422|8.820528|17.572514|7.171148|6.880426|0.066212|0.084153|0.072040|0.076114|0.066825|0.068385|0.063633|0.071380|0.085581|0.088908|0.083175|0.080901|0.122427|0.130665|0.083807|0.091019|0.081115|0.086081|0.089069|0.127206|0.104265|0.092920|0.139507|0.123657|0.303678|0.500000|
|2.948759|3.084407|6.840598|3.918229|3.189924|3.034193|3.407950|4.350240|4.846269|11.379515|4.954515|5.476681|4.572427|4.167632|4.373249|5.137116|5.928526|27.438561|4.719574|9.016403|0.261609|0.166348|5.940206|4.043614|5.639258|6.385321|8.654475|17.546511|5.503667|6.947178|0.070808|0.090269|0.080607|0.083361|0.075610|0.077793|0.072743|0.085456|0.116776|0.116007|0.110291|0.097957|0.130022|0.163916|0.107737|0.127024|0.100317|0.100819|0.104502|0.196575|0.133356|0.125944|0.152485|0.135661|0.298978|0.305507|0.500000|
|1.817085|1.892402|3.792214|2.229478|2.052973|2.089132|2.325878|2.593078|2.522495|4.855227|2.385096|2.508792|2.429575|2.421582|2.496265|2.581497|2.587669|18.777473|2.923540|5.146548|0.104581|0.108893|4.534644|3.911225|3.874178|7.130351|8.717117|5.515963|17.549681|6.916415|0.046385|0.054083|0.049183|0.053186|0.048521|0.052223|0.053562|0.063721|0.062808|0.060073|0.063915|0.063642|0.070714|0.071042|0.078040|0.076778|0.089318|0.113434|0.108193|0.104409|0.113628|0.089046|0.190214|0.217880|0.139809|0.143944|0.122165|0.500000|
|2.013781|2.061898|4.120105|2.359148|2.135353|2.113103|2.299657|2.585858|2.623783|5.147113|2.525484|2.708539|2.552758|2.571830|2.762341|2.963867|2.929026|20.792471|2.797261|4.880233|0.105551|0.103093|3.918727|3.230411|3.499188|5.558313|8.769012|6.977267|17.571563|7.064802|0.051220|0.061183|0.054157|0.058123|0.052015|0.054704|0.053828|0.061479|0.064696|0.064295|0.065338|0.066162|0.083680|0.081976|0.072453|0.073782|0.076838|0.089379|0.088959|0.100861|0.098498|0.081227|0.148480|0.145028|0.167854|0.216427|0.143072|0.302200|0.500000|
|2.049405|2.162651|4.347579|2.574072|2.372966|2.405332|2.659782|2.951881|2.888336|5.447856|2.573113|2.632149|2.447498|2.374168|2.465309|2.653046|2.751081|18.019500|3.209051|5.801339|0.119674|0.131692|4.569026|3.850787|3.665482|7.005724|8.706699|6.973679|17.542256|5.516071|0.052109|0.061562|0.054512|0.061822|0.054711|0.060154|0.061318|0.071941|0.066554|0.065420|0.063958|0.061099|0.073141|0.078162|0.084525|0.081222|0.088634|0.103677|0.112042|0.101021|0.099819|0.085678|0.227212|0.171369|0.204440|0.178402|0.140126|0.301413|0.302028|0.500000|
|2.190171|2.236523|4.687975|2.687965|2.322074|2.286800|2.579784|3.117398|3.208639|6.992735|3.609730|4.293278|4.415623|4.602916|4.678533|4.531625|4.347388|32.299898|3.660264|6.412744|0.146700|0.114919|5.765767|4.108544|6.952633|6.459680|8.655790|6.905951|5.506977|17.604163|0.054341|0.065225|0.061459|0.060077|0.057117|0.058028|0.056768|0.068101|0.093661|0.085334|0.109868|0.116784|0.114150|0.107538|0.090236|0.105845|0.100924|0.113518|0.099272|0.241171|0.205442|0.142335|0.133939|0.166191|0.140451|0.169975|0.207796|0.139833|0.143721|0.122176|0.500000|
|2.075492|2.088862|4.256445|2.399858|2.110079|2.064181|2.269355|2.643591|2.740604|5.721936|2.934907|3.393608|3.343205|3.555491|3.904942|3.989703|3.690574|29.577597|2.948460|5.073874|0.114125|0.098127|4.281132|3.329522|4.423196|5.440600|8.816171|6.899853|7.158601|17.566411|0.052147|0.062780|0.057392|0.057089|0.052962|0.053668|0.051955|0.060104|0.075109|0.072633|0.083190|0.091140|0.109756|0.096517|0.074486|0.082028|0.081188|0.093303|0.085391|0.137493|0.129897|0.098896|0.124156|0.144960|0.140330|0.205263|0.171997|0.175355|0.219314|0.144360|0.304048|0.500000|
|1.872543|1.922817|3.924688|2.278133|2.038637|2.048354|2.304424|2.671702|2.649528|5.403112|2.767019|3.090934|3.165483|3.286338|3.336410|3.248413|3.129030|25.144103|3.131791|5.431578|0.114435|0.103341|5.211493|4.123818|5.471510|6.886155|8.733163|5.494182|6.879420|17.544782|0.047285|0.055461|0.051955|0.052545|0.049550|0.051480|0.051817|0.062398|0.073481|0.067630|0.082464|0.087591|0.085968|0.081030|0.081271|0.087613|0.097420|0.122766|0.101947|0.153543|0.181683|0.117591|0.143850|0.216528|0.122175|0.140397|0.141027|0.204089|0.171446|0.139949|0.301341|0.302607|0.500000|
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