Version2.1
2021-01-09T20:30:39Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
24-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCN(CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C)C(=O)Nc2ccc(cc2Cl)Cl C35691209
RHF
6-31G(d)
(6D,7F)
CCCN(CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C)C(=O)Nc2ccc(cc2Cl)Cl
C01[X(C23H33Cl2N5O2)]
189
C1
554
CCCN(C(=O)Nc1ccc(cc1Cl)Cl)CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C
CCCN(C(=O)Nc1ccc(cc1Cl)Cl)CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C
CCCN(CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C)C(=O)Nc2ccc(Cl)cc2Cl
InChIKey=SUGQGWNFASBQGY-UHFFFAOYSA-N
InChI=1S/C23H33Cl2N5O2/c1-8-11-29(21(32)26-17-10-9-15(24)12-16(17)25)14-20(31)27-19-13-18(22(2,3)4)28-30(19)23(5,6)7/h9-10,12-13H,8,11,14H2,1-7H3,(H,26,32)(H,27,31)
InChI=1/C23H33Cl2N5O2/c1-8-11-29(21(32)26-17-10-9-15(24)12-16(17)25)14-20(31)27-19-13-18(22(2,3)4)28-30(19)23(5,6)7/h9-10,12-13H,8,11,14H2,1-7H3,(H,26,32)(H,27,31)/f/h26-27H
CCCN(CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C)C(=O)Nc2ccc(cc2Cl)Cl
C01[X(C23H33Cl2N5O2)]
189
C01
554
CCCN(C(=O)Nc1ccc(cc1Cl)Cl)CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C
CCCN(C(=O)N[C]1[CH][CH][C]([CH][C]1Cl)Cl)CC(=O)N[C]1[CH][C]([N][N]1C(C)(C)C)C(C)(C)C
CCCN(CC(=O)N[C]1[CH][C]([N]N1C(C)(C)C)C(C)(C)C)C(=O)N[C]2[CH][CH][C](Cl)[CH][C]2Cl
InChIKey=SUGQGWNFASBQGY-UHFFFAOYSA-N
InChI=1S/C23H33Cl2N5O2/c1-8-11-29(21(32)26-17-10-9-15(24)12-16(17)25)14-20(31)27-19-13-18(22(2,3)4)28-30(19)23(5,6)7/h9-10,12-13H,8,11,14H2,1-7H3,(H,26,32)(H,27,31)
InChI=1/C23H33Cl2N5O2/c1-8-11-29(21(32)26-17-10-9-15(24)12-16(17)25)14-20(31)27-19-13-18(22(2,3)4)28-30(19)23(5,6)7/h9-10,12-13H,8,11,14H2,1-7H3,(H,26,32)(H,27,31)/f/h26-27H
3668.1961637255
-2231.148589
1-A
21472.5920
128
426
554
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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11.15222
-4.5114 2.2651 -1.4361
5.2485
|XX|YY|ZZ|XY|XZ|YZ|
-229.2312 -202.0448 -204.5428 -12.5202 0.6259 3.7245
|XX|YY|ZZ|XY|XZ|YZ|
-17.2916 9.8948 7.3968 -12.5202 0.6259 3.7245
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-34.2425 48.8753 -16.6381 -48.9637 41.9685 10.8183 -5.1597 2.4107 -23.9093 7.1733
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-20512.8434 -6828.9144 -2406.2451 -80.0292 -47.2364 -180.2784 40.2033 -98.5698 -27.8686 -4706.7845 -3651.5648 -1515.8370 71.9345 28.8322 29.3207
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189
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7.4174 9.3433 16.8818 21.5257 24.3953 41.3867 46.3425 51.7099 61.7803 72.3441 82.3802 104.7465 116.3707 119.9340 128.3811 133.3051 147.3652 177.8368 186.1660 193.6894 215.0273 217.5967 239.1619 245.4164 249.5519 257.8877 264.0715 277.1127 280.9111 300.3729 306.8279 309.2970 320.5797 327.0046 346.9705 355.0216 368.2047 369.9684 390.5852 397.2975 404.0448 408.4737 430.1318 440.6990 464.3452 468.0318 485.8429 498.3492 508.8240 514.0138 531.9593 543.5557 561.9353 600.1166 604.6824 627.7091 639.9829 677.2455 699.9742 716.3982 746.9516 753.6185 790.8404 802.8117 808.0541 820.2942 845.1062 854.6087 886.7097 893.2339 913.2231 939.1959 948.8611 954.0237 956.9724 967.0875 997.4797 1008.1361 1013.6250 1014.1154 1016.8882 1022.7499 1046.7671 1052.9003 1063.6548 1082.1645 1092.8274 1106.4165 1113.2049 1143.7222 1150.1133 1151.6894 1155.0916 1158.0578 1194.2495 1213.0746 1221.8659 1225.3091 1226.5579 1252.5636 1270.4826 1286.8127 1301.4975 1313.1974 1352.2804 1360.6893 1371.2513 1374.8155 1377.1909 1383.1017 1384.6540 1403.9414 1425.6883 1432.5666 1440.9815 1459.7020 1466.7861 1494.2681 1526.1585 1543.3317 1551.8813 1553.3270 1557.9289 1563.5805 1564.0279 1569.5497 1578.0754 1582.9162 1591.1946 1595.0953 1627.0002 1628.0027 1629.6023 1631.5938 1632.4360 1633.0288 1633.2251 1638.1079 1643.8465 1645.9328 1649.0235 1650.8937 1652.7673 1655.3859 1656.2819 1663.2043 1664.1638 1679.0967 1682.8852 1714.5709 1751.8758 1781.3762 1790.0549 1798.5192 1881.7569 1977.7451 3196.9496 3199.9660 3202.9281 3206.6089 3211.0906 3217.0874 3221.0245 3231.8852 3232.8290 3245.5049 3257.5993 3261.2995 3265.5015 3268.6918 3272.6288 3274.1597 3278.1164 3279.6730 3284.0879 3286.5188 3292.2081 3294.5085 3299.1781 3304.0887 3313.7647 3331.9469 3346.2519 3404.4790 3420.3129 3470.4418 3502.8728 3861.8016 3927.9042
4.3030 8.3634 8.2257 3.1233 3.8063 4.7759 3.2519 4.0471 5.5455 6.0593 4.9088 1.8769 4.4682 5.4497 4.0197 4.2103 3.6573 4.6034 7.8208 5.9309 4.9035 1.3413 1.9822 2.2143 1.0837 3.4817 1.1337 2.6772 2.6588 2.3173 1.3391 1.3147 2.1265 2.2603 1.1935 3.4068 3.3406 3.2628 5.8939 2.6585 3.4273 2.6921 7.9643 2.8573 3.6163 2.8898 3.2525 3.2315 2.7300 5.1609 2.2087 2.3658 3.6429 3.9828 2.9318 4.0149 3.3716 2.1421 1.6680 5.6467 5.1871 4.9579 4.4391 3.8165 1.1859 3.6549 5.5388 7.3015 3.0366 2.9714 1.6682 3.5874 1.7875 2.5611 1.7875 1.5459 3.5926 1.7042 1.4128 1.7419 1.7214 1.7014 4.4990 1.1955 1.1949 2.6528 5.0899 1.3402 2.6486 1.4102 1.4788 1.3930 3.5779 1.3782 2.4704 4.3049 1.9977 2.9070 2.8915 1.6079 1.9592 1.5925 3.2455 2.3296 2.5887 2.6643 2.6323 2.6208 1.8161 1.5716 2.4066 2.7565 3.5444 1.7305 1.6016 1.1967 1.4048 5.4518 1.4859 3.0493 1.2483 1.3347 1.6113 1.2422 1.2912 1.2843 1.6524 1.2872 1.7329 1.8719 1.0495 1.0502 1.0504 1.0974 1.0496 1.0485 1.0494 1.0613 1.0510 1.3196 1.0533 1.0586 1.7528 1.0902 1.3395 1.1384 1.0928 2.2850 1.1369 2.8322 3.9435 3.3179 3.0568 5.5976 6.2116 8.6287 1.0361 1.0378 1.0417 1.0595 1.0396 1.0395 1.0414 1.0416 1.1001 1.0668 1.1023 1.1011 1.1028 1.1038 1.0996 1.1022 1.1021 1.1020 1.1015 1.0721 1.1033 1.0934 1.0977 1.1013 1.0992 1.1031 1.1095 1.0934 1.0943 1.0935 1.0984 1.0796 1.0771
0.0001 0.0004 0.0014 0.0009 0.0013 0.0048 0.0041 0.0064 0.0125 0.0187 0.0196 0.0121 0.0357 0.0462 0.0390 0.0441 0.0468 0.0858 0.1597 0.1311 0.1336 0.0374 0.0668 0.0786 0.0398 0.1364 0.0466 0.1211 0.1236 0.1232 0.0743 0.0741 0.1288 0.1424 0.0847 0.2530 0.2668 0.2631 0.5298 0.2472 0.3297 0.2647 0.8682 0.3270 0.4594 0.3730 0.4523 0.4729 0.4164 0.8034 0.3683 0.4118 0.6778 0.8451 0.6316 0.9321 0.8136 0.5789 0.4815 1.7075 1.7052 1.6590 1.6358 1.4492 0.4562 1.4490 2.3307 3.1419 1.4067 1.3968 0.8197 1.8644 0.9482 1.3734 0.9645 0.8518 2.1061 1.0205 0.8552 1.0555 1.0488 1.0485 2.9045 0.7808 0.7965 1.8304 3.5815 0.9666 1.9338 1.0868 1.1525 1.0886 2.8126 1.0890 2.0759 3.7324 1.7572 2.5715 2.5630 1.4863 1.8632 1.5537 3.2391 2.3669 2.7892 2.9064 2.9162 2.9186 2.0295 1.7714 2.7186 3.2012 4.2447 2.0924 1.9593 1.5023 1.7808 7.1721 2.0392 4.2793 1.7712 1.8974 2.3042 1.7893 1.8610 1.8640 2.4245 1.9003 2.5851 2.8061 1.6368 1.6400 1.6434 1.7213 1.6479 1.6474 1.6492 1.6779 1.6734 2.1063 1.6876 1.6999 2.8210 1.7602 2.1649 1.8554 1.7831 3.7957 1.8971 4.9056 7.1308 6.2034 5.7710 10.6679 12.9593 19.8855 6.2394 6.2609 6.2964 6.4183 6.3154 6.3386 6.3658 6.4101 6.7743 6.6208 6.8920 6.8999 6.9284 6.9483 6.9385 6.9613 6.9775 6.9838 6.9995 6.8228 7.0454 6.9924 7.0399 7.0835 7.1118 7.2157 7.3197 7.4667 7.5428 7.7595 7.9404 9.4860 9.7911
0.0875 0.3073 0.0257 0.3013 0.9052 0.8964 0.9362 0.4252 2.4267 0.9191 1.4565 2.6611 5.7490 10.9747 6.9619 0.7446 0.3439 0.7462 0.4840 0.6897 1.4621 0.2881 0.0743 0.7256 0.1714 7.5631 1.4973 1.5350 0.2792 1.2336 0.8292 0.1042 0.2146 0.9195 0.1465 1.9133 6.2791 0.9368 0.2105 1.3697 0.8214 1.8295 4.6905 1.6434 11.2898 4.8912 19.6109 14.2611 23.3623 5.8504 42.6800 26.2962 6.0079 9.7358 8.8971 3.3396 16.0693 55.4658 85.1243 9.1035 10.9057 2.4103 7.1973 3.9390 2.4242 1.6961 45.3955 34.8412 7.7496 18.1639 37.1261 15.0485 21.4381 15.1119 28.3657 3.7105 4.0952 0.1903 13.5183 0.3309 0.6119 0.2916 10.1270 0.0277 0.2181 0.2166 24.6590 2.9683 1.2193 4.1599 3.3053 0.0255 36.9230 2.8667 6.5660 12.3190 1.3377 5.4055 49.6425 6.0076 103.3473 5.5540 8.1847 97.7116 3.4891 3.4916 11.2186 17.9255 2.7797 95.5738 178.8850 79.9069 12.6769 100.4291 164.0270 51.8214 18.2567 137.6796 5.6454 67.4995 3.3312 32.3172 76.5978 7.4897 1.1737 11.1599 110.4037 7.8397 34.2988 9.5367 0.5150 0.1676 2.2410 9.6563 0.1879 0.4587 0.9329 4.7187 3.8891 20.2397 3.4612 3.6354 46.5523 1.7679 6.2044 0.9725 7.5949 8.2547 59.2479 706.3162 576.0323 172.6187 334.9516 32.2120 386.1767 300.8579 33.0017 24.5448 43.7260 12.2549 54.2558 17.1609 14.9417 42.9884 5.1489 22.4797 8.4859 35.9410 48.1964 15.4572 107.7224 62.7894 39.9648 16.2948 18.2857 5.9309 38.2666 47.9950 60.9454 14.4159 48.7151 21.0481 7.4600 1.9908 0.1898 3.4642 1.0341 155.2629 55.9550
1.4759 3.4466 2.2082 0.2223 0.3326 1.0220 0.1076 0.3227 0.5420 0.7831 0.5796 0.2860 0.5488 0.7809 0.8770 0.9135 0.9190 0.9022 1.1395 1.5033 1.1285 0.6107 0.2080 1.4251 0.0383 0.1966 0.1655 1.4184 2.2008 1.0136 0.7545 0.2773 0.6192 0.4924 0.1979 0.4019 0.6840 0.2976 2.2085 0.3491 0.7191 0.2232 7.8772 1.3614 1.1791 0.1486 1.1284 0.5483 0.7683 2.2423 2.8584 2.3681 1.8343 1.1018 16.0623 0.6577 4.8845 2.0814 4.0747 5.6170 7.0471 1.0752 1.2362 0.8073 0.6809 0.1023 0.7859 0.3942 10.2724 10.6921 2.0386 8.6474 2.0742 3.0899 10.2915 4.9844 2.4934 8.3080 1.3507 9.5197 7.9310 8.6632 3.8318 0.0447 0.1845 0.9072 8.9806 0.7649 10.4781 4.6061 3.7734 4.9948 1.9953 6.2179 5.1481 6.1545 4.7307 1.8023 9.6837 4.6894 3.2229 8.1930 2.1156 7.8392 6.1769 9.8009 2.8561 3.2183 10.1367 2.4868 1.5331 2.0382 2.4123 24.2712 6.0043 10.0177 2.0352 11.2888 1.2903 4.3507 1.5176 1.7974 4.1604 2.1992 1.4288 2.7940 9.5815 1.0868 3.4187 1.1392 6.0134 1.7159 18.2849 8.5028 18.0511 24.3239 28.1137 26.2945 20.8794 29.0433 13.6888 13.2493 7.4018 13.7942 6.6619 8.1279 2.3870 50.6927 10.0158 8.7829 29.7589 5.6510 6.8196 108.2626 45.4489 14.5322 1.2403 38.4397 31.5422 142.4130 288.1217 22.0537 2.7803 280.6370 100.1534 53.4830 13.0044 64.4310 11.3591 17.6021 141.8691 79.3076 106.8873 28.9600 41.8925 69.3152 48.3943 45.8745 109.7843 61.9787 78.1873 45.8406 43.0278 75.1377 65.6758 66.1297 30.6669 76.7513 49.5849
0.7456 0.7293 0.7481 0.7485 0.7163 0.7087 0.7355 0.6586 0.7450 0.7004 0.7370 0.7478 0.7377 0.7400 0.7379 0.7053 0.7073 0.6415 0.2518 0.7062 0.5778 0.4754 0.3695 0.3472 0.6762 0.5081 0.7483 0.3102 0.2210 0.1163 0.3343 0.6821 0.5707 0.6357 0.6926 0.7067 0.5728 0.5460 0.6567 0.4708 0.6595 0.4900 0.1825 0.3841 0.7473 0.7477 0.0830 0.6525 0.4817 0.3980 0.7009 0.6082 0.2230 0.0484 0.1484 0.7190 0.3472 0.7099 0.4949 0.2442 0.3139 0.7126 0.7336 0.3715 0.6875 0.7064 0.7489 0.4300 0.1889 0.2896 0.7124 0.0554 0.2661 0.7336 0.2609 0.1846 0.5395 0.7466 0.7499 0.7498 0.7136 0.7269 0.1022 0.7472 0.1405 0.2746 0.2032 0.7144 0.5340 0.7366 0.6892 0.7486 0.4093 0.7147 0.7451 0.7457 0.1520 0.7274 0.1174 0.5432 0.4152 0.1492 0.4126 0.3059 0.7472 0.7457 0.7391 0.7388 0.1733 0.4511 0.1618 0.2144 0.3847 0.2994 0.4074 0.6992 0.4484 0.7499 0.5659 0.2408 0.7495 0.6859 0.7495 0.7424 0.7341 0.6644 0.5973 0.5937 0.7500 0.6740 0.7319 0.7300 0.7497 0.7488 0.7460 0.7481 0.7500 0.7221 0.7500 0.4655 0.7494 0.7480 0.3739 0.7387 0.3485 0.7468 0.3225 0.2061 0.6642 0.6962 0.5645 0.3734 0.7093 0.4640 0.2116 0.1568 0.7229 0.0328 0.1113 0.0671 0.0528 0.0370 0.7453 0.0287 0.6906 0.0823 0.7432 0.6405 0.7215 0.7496 0.7482 0.7500 0.5962 0.7451 0.6645 0.2058 0.7490 0.1228 0.7229 0.5914 0.6304 0.7360 0.7253 0.3307 0.2851 0.2112 0.2478 0.1495 0.1276
0.8543 0.8435 0.8559 0.8562 0.8347 0.8295 0.8476 0.7941 0.8539 0.8238 0.8486 0.8557 0.8490 0.8506 0.8492 0.8272 0.8286 0.7816 0.4023 0.8278 0.7324 0.6445 0.5396 0.5155 0.8068 0.6739 0.8560 0.4735 0.3620 0.2083 0.5011 0.8110 0.7267 0.7773 0.8184 0.8281 0.7284 0.7063 0.7927 0.6402 0.7948 0.6577 0.3087 0.5550 0.8554 0.8556 0.1532 0.7897 0.6502 0.5694 0.8242 0.7564 0.3646 0.0923 0.2585 0.8365 0.5155 0.8303 0.6622 0.3926 0.4779 0.8322 0.8463 0.5418 0.8148 0.8280 0.8564 0.6014 0.3177 0.4491 0.8321 0.1050 0.4204 0.8463 0.4138 0.3116 0.7009 0.8549 0.8571 0.8570 0.8329 0.8418 0.1854 0.8553 0.2463 0.4308 0.3378 0.8334 0.6962 0.8483 0.8160 0.8562 0.5808 0.8336 0.8539 0.8543 0.2638 0.8422 0.2101 0.7040 0.5868 0.2597 0.5842 0.4685 0.8553 0.8543 0.8500 0.8498 0.2954 0.6217 0.2785 0.3531 0.5557 0.4609 0.5789 0.8230 0.6192 0.8571 0.7228 0.3881 0.8568 0.8137 0.8568 0.8522 0.8467 0.7984 0.7479 0.7451 0.8571 0.8053 0.8452 0.8439 0.8569 0.8564 0.8546 0.8559 0.8571 0.8386 0.8571 0.6353 0.8568 0.8558 0.5443 0.8497 0.5168 0.8550 0.4878 0.3418 0.7982 0.8209 0.7217 0.5438 0.8300 0.6339 0.3493 0.2710 0.8392 0.0634 0.2002 0.1257 0.1003 0.0714 0.8541 0.0559 0.8170 0.1520 0.8527 0.7809 0.8382 0.8569 0.8559 0.8571 0.7470 0.8539 0.7985 0.3413 0.8565 0.2188 0.8392 0.7433 0.7733 0.8479 0.8408 0.4970 0.4437 0.3487 0.3972 0.2602 0.2264
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 64 65
6 6 6 7 6 6 8 7 6 6 6 7 7 6 6 6 6 6 6 6 6 6 8 7 6 6 6 6 6 6 17 17 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 12.00000 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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
11937.9559 29772.9872 35915.6537
0.99956 -0.02684 0.01236 0.02668 0.99956 0.01315 -0.01271 -0.01281 0.99984
1
0.00726 0.00291 0.00241
0.15118 0.06062 0.05025
10.67 13.44 24.29 30.97 35.10 59.55 66.68 74.40 88.89 104.09 118.53 150.71 167.43 172.56 184.71 191.80 212.03 255.87 267.85 278.68 309.38 313.07 344.10 353.10 359.05 371.04 379.94 398.70 404.17 432.17 441.46 445.01 461.24 470.49 499.21 510.80 529.76 532.30 561.97 571.62 581.33 587.70 618.86 634.07 668.09 673.39 699.02 717.01 732.08 739.55 765.37 782.06 808.50 863.43 870.00 903.13 920.79 974.41 1007.11 1030.74 1074.70 1084.29 1137.84 1155.07 1162.61 1180.22 1215.92 1229.59 1275.78 1285.16 1313.92 1351.29 1365.20 1372.63 1376.87 1391.42 1435.15 1450.48 1458.38 1459.09 1463.08 1471.51 1506.06 1514.89 1530.36 1556.99 1572.33 1591.89 1601.65 1645.56 1654.76 1657.02 1661.92 1666.19 1718.26 1745.34 1757.99 1762.95 1764.74 1802.16 1827.94 1851.44 1872.56 1889.40 1945.63 1957.73 1972.92 1978.05 1981.47 1989.97 1992.21 2019.96 2051.25 2061.14 2073.25 2100.19 2110.38 2149.92 2195.80 2220.51 2232.81 2234.89 2241.51 2249.64 2250.29 2258.23 2270.50 2277.46 2289.37 2294.99 2340.89 2342.33 2344.63 2347.50 2348.71 2349.56 2349.85 2356.87 2365.13 2368.13 2372.58 2375.27 2377.96 2381.73 2383.02 2392.98 2394.36 2415.85 2421.30 2466.89 2520.56 2563.00 2575.49 2587.67 2707.43 2845.53 4599.70 4604.04 4608.30 4613.59 4620.04 4628.67 4634.34 4649.96 4651.32 4669.56 4686.96 4692.28 4698.33 4702.92 4708.58 4710.79 4716.48 4718.72 4725.07 4728.57 4736.75 4740.06 4746.78 4753.85 4767.77 4793.93 4814.51 4898.29 4921.07 4993.19 5039.85 5556.27 5651.38
0.584456
0.616980
0.617924
0.515084
-2230.564133
-2230.531609
-2230.530665
-2230.633505
3.449271D-04
MUNgauss
RevisionA2.0
retrievium
09-Jan-2021
DUDE CCCN(CC(=O)Nc1cc(nn1C(C)(C)C)C(C)(C)C)C(=O)Nc2ccc(cc2Cl)Cl C35691209
RHF
6-31G(d)
(6D,10F)
C1
481.201131
|X|Y|Z|
42.360476 71.974930 120.406574
71.602925
17
|36.858105|
|12.465890|36.858105|
|7.518602|12.452705|36.858105|
|4.947128|7.599687|13.025064|53.358707|
|4.091078|5.673503|7.663589|17.812260|36.858105|
|3.466786|4.292933|5.878838|10.448056|12.470403|36.858105|
|3.445842|4.026169|5.267299|7.873270|8.029126|15.911204|73.516695|
|2.923601|3.531970|4.679890|8.424926|7.844435|14.001979|14.914882|53.358707|
|2.514588|2.890544|3.675561|5.942441|5.055479|7.802089|11.889193|18.584150|36.858105|
|2.423468|2.686763|3.357960|5.032824|4.189547|6.250229|11.663498|10.392210|13.962926|36.858105|
|2.070453|2.260607|2.731536|4.056873|3.266460|4.358527|7.870752|7.266588|8.693507|13.473592|36.858105|
|1.972923|2.182292|2.619456|4.003874|3.196444|4.100648|6.927839|7.320641|8.612294|8.528902|14.687293|53.358707|
|2.176225|2.473325|3.028973|4.856304|3.948386|5.195687|8.100350|10.754426|14.071993|8.662416|8.945301|19.214563|53.358707|
|2.042525|2.342511|2.802676|4.592217|3.633642|4.299504|6.501491|8.406079|7.370781|5.204930|5.404900|10.635406|17.492176|36.858105|
|1.759509|1.972828|2.295070|3.613875|2.819536|3.244690|5.179701|5.711687|5.037896|4.186726|4.839477|9.798223|10.582805|12.421021|36.858105|
|2.149088|2.477909|2.996497|4.936673|3.626012|4.056097|6.031762|7.641035|5.903700|4.385265|4.364380|7.613020|10.496458|12.402117|7.647675|36.858105|
|2.044355|2.383352|2.788221|4.701129|3.903791|4.393194|6.497479|8.167317|6.038639|4.367426|4.239874|7.273002|10.447875|12.391165|7.682534|7.495590|36.858105|
|1.865030|1.986159|2.338209|3.357272|2.656180|3.361134|6.300341|5.165890|5.183164|7.255532|12.551232|10.523278|7.223888|3.898695|3.823133|3.335806|3.233528|36.858105|
|1.932582|2.018915|2.384317|3.316001|2.545491|3.165538|6.027996|4.689835|4.410772|6.045870|7.643272|7.368037|5.793341|3.284961|3.154765|3.022702|2.748886|12.376904|36.858105|
|1.648535|1.753007|2.028738|2.928382|2.284008|2.768392|5.024589|4.297972|4.107113|4.908849|7.584054|9.361621|6.308029|3.741461|4.037263|3.208237|3.071029|12.419121|7.605461|36.858105|
|1.804268|1.910213|2.207455|3.146377|2.549367|3.200893|6.230083|4.675856|4.406683|5.999142|7.650266|7.430414|5.830832|3.297498|3.221070|2.798655|2.937802|12.375031|7.586871|7.602918|36.858105|
|3.999994|5.590618|7.588805|19.081533|7.923105|5.824428|7.888539|7.788103|4.180767|3.423620|2.876953|4.015675|4.949588|3.653702|2.843027|4.200341|3.729443|2.372028|2.327272|2.120148|2.181698|36.858105|
|3.217988|4.219714|5.291405|11.558197|7.122910|5.721108|7.533649|8.649265|4.566321|3.547167|3.033602|4.388846|5.625817|4.407418|3.297582|5.159354|4.690302|2.454803|2.346977|2.221312|2.246247|15.705448|73.516695|
|4.133075|5.518168|6.740867|11.216852|5.238626|4.237660|6.253328|5.704931|3.369058|2.891667|2.509681|3.494403|4.137708|3.085398|2.510703|3.642838|3.064233|2.130064|2.132906|1.932284|1.952203|13.943077|14.961436|53.358707|
|3.276807|4.002813|4.538166|7.097353|3.904688|3.384514|5.119006|4.789494|2.984240|2.576965|2.317329|3.291419|3.843218|2.974316|2.482242|3.651666|2.917737|1.989805|1.990889|1.845483|1.808784|7.683851|11.797895|18.476255|36.858105|
|2.716153|3.274961|3.639987|5.929785|3.571038|3.147611|4.732563|4.618354|2.915310|2.476286|2.271787|3.307570|3.893049|3.162799|2.655603|3.964882|3.169679|1.944539|1.910038|1.832528|1.767683|6.279198|11.867761|10.530900|13.674533|36.858105|
|2.327112|2.693065|2.918081|4.519661|2.842130|2.591130|4.004536|3.812040|2.509061|2.177579|2.048101|2.997541|3.436182|2.819869|2.471304|3.517861|2.790169|1.785126|1.758786|1.711950|1.621216|4.328418|8.139550|6.975452|7.894039|13.793047|36.858105|
|2.281657|2.562021|2.739835|4.041062|2.522320|2.329033|3.676705|3.371517|2.260107|2.009911|1.900425|2.744768|3.076004|2.458609|2.197837|3.015499|2.383284|1.683388|1.684783|1.617787|1.527865|3.690726|6.550422|6.184134|6.826529|7.955315|13.787898|36.858105|
|2.576695|2.858449|3.053815|4.338849|2.621990|2.411033|3.835512|3.423328|2.283735|2.055730|1.921064|2.727668|3.041683|2.360268|2.091782|2.862121|2.264634|1.707846|1.734639|1.622769|1.550143|3.904065|6.512077|7.023349|7.848525|6.875271|7.958437|13.820611|36.858105|
|3.138231|3.587726|3.919746|5.550399|3.166668|2.845042|4.467114|3.980990|2.583001|2.305644|2.105830|2.961015|3.352694|2.557024|2.204861|3.097809|2.459425|1.848715|1.882040|1.727016|1.678915|5.176670|8.039789|10.760433|13.672712|7.993955|6.933443|8.004589|13.782342|36.858105|
|3.735038|4.000661|4.269342|5.386459|3.042784|2.761461|4.476081|3.721782|2.440849|2.250353|2.036389|2.788625|3.094867|2.272744|1.977279|2.653954|2.169906|1.816386|1.889721|1.677329|1.659974|4.474694|6.598916|8.715075|6.968069|4.751069|4.237536|4.796906|7.099794|10.894515|448.794386|
|1.905163|2.084481|2.194248|3.182209|2.058551|1.936999|3.113554|2.802437|1.926502|1.741851|1.678383|2.428258|2.662773|2.133348|1.974482|2.553095|2.066220|1.512759|1.514120|1.476394|1.378230|2.770012|4.986166|4.370872|4.205166|4.765450|7.026774|10.951038|7.054781|4.782845|28.485625|448.794386|
|17.569624|8.795875|5.478348|5.563019|3.524532|2.988215|5.281821|3.488414|2.228672|2.149189|1.863849|2.431990|2.666763|1.859281|1.619779|1.947171|1.878530|1.693994|1.745831|1.512199|1.650986|3.455667|5.093619|4.899264|2.962887|2.508151|2.182324|2.148642|2.408041|2.868128|27.008718|14.598875|0.500000|
|17.538221|8.763625|6.800040|6.206697|3.664624|3.216463|5.644070|3.812150|2.448474|2.368688|2.044646|2.657359|2.912866|2.013968|1.743634|2.151315|1.984415|1.850785|1.941228|1.643801|1.769698|3.889534|5.550112|5.767009|3.428561|2.777530|2.401619|2.402525|2.778640|3.413621|34.927331|16.057494|0.301961|0.500000|
|17.546206|8.773890|6.821657|6.248711|4.047253|3.581223|6.614492|4.024982|2.575991|2.537515|2.148967|2.743738|2.998221|2.031617|1.755125|2.104426|2.024922|1.949534|2.033072|1.704610|1.904354|3.631222|5.333988|4.898213|2.901712|2.459458|2.125626|2.077422|2.316615|2.770133|25.950439|14.106750|0.301871|0.301568|0.500000|
|8.839184|17.524836|8.825392|9.367086|4.989607|3.775036|6.124134|4.444029|2.687657|2.463127|2.112374|2.821914|3.206862|2.285805|1.933720|2.459659|2.337939|1.857730|1.879868|1.663230|1.775491|5.848399|7.764147|8.661664|4.588392|3.666982|2.984137|2.842117|3.201452|4.095023|36.280273|18.268032|0.212786|0.209914|0.172762|0.500000|
|8.842656|17.540245|8.883529|9.512879|6.098086|4.401959|7.416001|4.790455|2.858905|2.654403|2.228121|2.926381|3.322152|2.312126|1.949805|2.391673|2.404541|1.957766|1.963400|1.726537|1.911142|5.071061|7.207072|6.346181|3.516436|3.018536|2.501476|2.345940|2.549828|3.105694|26.560437|15.556225|0.212545|0.172699|0.210504|0.304607|0.500000|
|6.906208|8.852963|17.600724|12.613742|7.576300|6.654005|11.706576|6.674387|3.925299|3.724442|2.944528|3.735539|4.262926|2.798133|2.300623|2.904305|2.761029|2.528079|2.597733|2.148042|2.412416|5.806375|8.035913|6.828263|3.699694|3.102836|2.560248|2.415622|2.656306|3.282572|28.720521|15.917518|0.141010|0.169543|0.205369|0.173499|0.212392|0.500000|
|6.866283|8.788197|17.577676|12.392337|5.740491|4.972912|8.027832|5.869387|3.540640|3.269387|2.708831|3.545525|4.051813|2.765254|2.283625|3.044096|2.671545|2.335969|2.427623|2.039438|2.166019|7.104115|8.864771|10.037253|5.020317|3.822021|3.085318|2.967773|3.418337|4.526038|42.413532|18.854850|0.140220|0.203262|0.169656|0.208969|0.173430|0.306733|0.500000|
|3.493775|4.720866|5.682792|12.479958|17.659206|8.814650|10.797683|9.807141|4.754255|3.818504|3.095794|4.261626|5.348894|3.810650|2.936905|3.759325|4.373197|2.516961|2.364948|2.210148|2.422136|7.580101|14.329331|6.789652|3.888513|3.746234|2.964955|2.566097|2.601467|3.087790|22.901471|16.848688|0.086779|0.087946|0.094318|0.123610|0.143155|0.148990|0.127694|0.500000|
|4.488771|6.207928|7.398829|12.518406|17.647905|9.046205|13.786108|7.877249|4.207289|3.733311|2.951255|3.853444|4.567220|3.070377|2.475999|3.020112|3.297615|2.475544|2.392570|2.126498|2.435793|5.873786|9.244045|5.999579|3.373547|3.073976|2.514083|2.272955|2.378022|2.838183|22.590882|15.139699|0.108218|0.106525|0.126903|0.142833|0.207291|0.220507|0.147456|0.301279|0.500000|
|2.885204|3.557412|4.657252|9.020080|7.693938|9.496370|10.887443|26.034926|9.197200|5.709219|4.505214|6.591925|9.805176|6.761621|4.380482|6.731149|6.858530|3.326661|3.048343|2.891708|2.989555|6.966277|15.796366|6.566789|4.075032|4.033221|3.233525|2.780666|2.783445|3.255154|23.475174|18.222265|0.070736|0.077285|0.079086|0.094275|0.097599|0.126985|0.120771|0.219449|0.151184|0.500000|
|2.594822|2.833238|3.546880|5.096374|4.265709|6.426863|13.973200|8.956475|8.757918|17.885336|8.487806|7.945406|8.025708|4.086432|3.395335|3.625247|3.634544|6.291380|5.914184|4.256631|5.839623|3.321972|5.899869|3.852736|2.482104|2.342109|2.057245|1.918395|1.986363|2.242774|17.998844|13.351125|0.063485|0.070014|0.077057|0.070719|0.077980|0.113873|0.094989|0.104106|0.109673|0.137791|0.500000|
|1.718819|1.904044|2.219525|3.422600|2.615368|3.019726|4.909550|5.211453|4.698706|4.130740|5.023608|10.236579|9.504305|8.742870|17.640489|6.989694|5.532744|4.103158|3.429666|4.546645|3.301903|2.683335|5.391584|3.292877|2.410680|2.544725|2.398396|2.172930|2.083038|2.181545|15.853594|15.800422|0.043877|0.047715|0.047722|0.051779|0.051806|0.062006|0.062228|0.074096|0.064284|0.109059|0.093354|0.500000|
|1.680190|1.886669|2.163530|3.413597|2.631038|2.914397|4.628688|4.982566|4.094731|3.433623|3.801133|6.961072|7.668226|8.914527|17.554856|7.032599|7.140146|3.142365|2.684772|3.326914|2.728430|2.735739|5.702675|3.332126|2.470209|2.710459|2.567631|2.260569|2.111487|2.193573|15.542646|16.485488|0.043253|0.046294|0.046206|0.051946|0.051833|0.059471|0.059849|0.077322|0.064437|0.109453|0.080190|0.300714|0.500000|
|1.683720|1.876945|2.162364|3.372900|2.689313|3.122215|5.097662|5.345440|4.784526|4.158813|4.951581|9.834180|9.588535|8.756333|17.610342|5.521439|6.982246|4.012745|3.174300|4.326316|3.490392|2.590409|5.263984|3.106030|2.228466|2.359912|2.196060|1.968925|1.886511|1.991193|14.548726|14.307299|0.043230|0.046067|0.046980|0.050787|0.052019|0.060888|0.059165|0.077840|0.066669|0.109871|0.094220|0.302528|0.300579|0.500000|
|2.428729|2.866449|3.560906|6.128440|4.354590|4.747733|6.741557|9.127363|6.173772|4.439473|4.100080|6.615296|9.289094|8.662997|5.502038|17.596593|6.759704|3.138519|2.918089|2.916231|2.683817|5.506399|12.682942|6.230227|4.485525|4.809907|4.002491|3.358682|3.230722|3.626613|24.480829|21.883117|0.060520|0.067487|0.065461|0.079326|0.076145|0.093880|0.100629|0.125095|0.097144|0.250510|0.104656|0.141120|0.143072|0.122317|0.500000|
|1.997970|2.296453|2.699206|4.411036|3.210987|3.425080|5.168536|6.039467|4.490345|3.531409|3.561191|6.047831|7.604369|8.812895|7.057299|17.553781|6.834229|2.861980|2.609970|2.829119|2.459165|3.823949|8.428774|4.660797|3.581179|4.106784|3.784875|3.171357|2.903148|3.050693|20.448734|21.893811|0.050861|0.055604|0.053930|0.064297|0.061783|0.071769|0.076093|0.094551|0.075598|0.147171|0.083766|0.175554|0.214748|0.142631|0.303332|0.500000|
|2.092039|2.364525|2.863799|4.529499|3.254383|3.690594|5.687786|6.668987|5.488935|4.395277|4.564417|7.926883|9.636822|8.815707|6.974472|17.571070|5.476138|3.553088|3.297721|3.469345|2.874696|3.769445|7.699128|4.638094|3.454008|3.630546|3.314593|2.951893|2.846188|3.048584|21.389147|20.346644|0.052526|0.058873|0.057158|0.064928|0.062696|0.077810|0.082665|0.090751|0.076812|0.151412|0.101018|0.210015|0.171647|0.142133|0.301308|0.300913|0.500000|
|1.945714|2.243035|2.589837|4.264089|3.646810|4.194930|6.461160|7.383890|5.747149|4.405216|4.355670|7.333772|9.650524|8.795767|6.936263|5.474032|17.571828|3.363499|2.775533|3.194672|3.158594|3.246802|6.932414|3.670974|2.542810|2.711334|2.416020|2.102840|2.016286|2.182795|15.793723|14.846992|0.049907|0.052133|0.054083|0.060525|0.063611|0.072538|0.068300|0.112371|0.088290|0.156586|0.102351|0.141251|0.172545|0.207515|0.139274|0.139674|0.123023|0.500000|
|1.901841|2.205699|2.524855|4.202462|3.377075|3.604851|5.439715|6.255445|4.543307|3.523400|3.502180|5.900364|7.604154|8.844894|7.192226|6.786280|17.565844|2.805206|2.428972|2.745385|2.563284|3.416699|7.651707|3.942329|2.845156|3.194755|2.880067|2.430409|2.260607|2.408847|16.784826|17.135598|0.048998|0.051488|0.051917|0.060998|0.061709|0.068500|0.067734|0.105939|0.080709|0.147340|0.083891|0.144784|0.222646|0.177481|0.165746|0.202240|0.139815|0.301073|0.500000|
|2.269701|2.711874|3.203083|5.662747|4.858488|5.280934|7.362848|9.947626|6.231579|4.364574|3.950491|6.317120|9.129302|8.635318|5.514527|6.809918|17.618642|3.024603|2.641695|2.789972|2.787820|4.530810|10.710407|4.816633|3.275374|3.545700|3.007606|2.532369|2.421316|2.683079|18.893815|17.244828|0.057678|0.060658|0.062088|0.073927|0.076537|0.087107|0.083631|0.159653|0.109743|0.256808|0.103780|0.122299|0.145007|0.140691|0.200272|0.169922|0.139236|0.301589|0.303928|0.500000|
|1.945288|2.034878|2.418868|3.366979|2.524651|3.093612|5.717685|4.677373|4.360112|5.565665|6.938369|7.417050|5.898292|3.412845|3.286874|3.255642|2.775000|8.748884|17.550070|6.906974|5.495287|2.404654|4.310024|3.034224|2.103617|2.015069|1.864349|1.795063|1.851565|2.002237|16.103312|12.946604|0.048690|0.054859|0.056309|0.053034|0.054366|0.072197|0.069602|0.065257|0.065126|0.086231|0.145007|0.102153|0.077831|0.089178|0.086732|0.077643|0.102153|0.076084|0.068651|0.073888|0.500000|
|1.776846|1.834690|2.125542|2.927405|2.239103|2.708807|5.170488|3.933944|3.545903|4.567864|5.532293|5.863357|4.731863|2.812456|2.771519|2.606149|2.409573|8.771387|17.534014|6.964415|6.918663|2.058328|3.680161|2.598064|1.795102|1.726693|1.605512|1.548122|1.592755|1.713132|13.878604|11.291901|0.044967|0.049634|0.051991|0.047616|0.049697|0.064050|0.060092|0.058179|0.059219|0.072218|0.127366|0.083597|0.066775|0.078288|0.069780|0.063920|0.078482|0.068037|0.060127|0.064263|0.301013|0.500000|
|2.119300|2.200096|2.622587|3.584481|2.758935|3.487143|6.885349|4.985055|4.576768|6.583529|6.925631|6.580679|5.584479|3.146552|2.913712|2.929086|2.694908|8.718153|17.556178|5.498133|6.899900|2.459013|4.335414|3.054429|2.060028|1.949190|1.777160|1.704581|1.771972|1.945150|15.902848|12.194417|0.052760|0.058992|0.062701|0.056174|0.059361|0.081080|0.073967|0.069816|0.072681|0.088167|0.201955|0.085777|0.069662|0.080956|0.080744|0.070048|0.087313|0.075389|0.065756|0.073587|0.301553|0.301596|0.500000|
|1.591041|1.704457|1.958833|2.864750|2.262097|2.723042|4.886688|4.263412|4.046355|4.597999|6.871164|9.581518|6.472462|3.952687|4.474016|3.246414|3.298266|8.753646|5.501621|17.583166|6.909837|2.084762|3.935860|2.568783|1.807186|1.815849|1.698340|1.591864|1.582377|1.678677|12.952077|11.693533|0.040732|0.043819|0.045531|0.045099|0.046973|0.057273|0.054209|0.061716|0.058453|0.080351|0.109225|0.136622|0.101345|0.141700|0.080825|0.080520|0.095022|0.097878|0.082093|0.081382|0.140752|0.141604|0.122480|0.500000|
|1.548571|1.628328|1.862007|2.650517|2.055620|2.448499|4.497911|3.695622|3.384459|4.017877|5.518406|6.737102|5.003207|3.084287|3.315061|2.721586|2.619431|8.822163|6.976802|17.533077|6.971791|1.910710|3.524116|2.396252|1.685710|1.668253|1.569005|1.494887|1.504003|1.592953|12.530799|11.041692|0.039648|0.042960|0.044613|0.042919|0.044574|0.054837|0.052073|0.055151|0.053834|0.069480|0.102096|0.102260|0.078690|0.098259|0.069732|0.067958|0.081367|0.075719|0.066131|0.067012|0.171177|0.210774|0.141930|0.300832|0.500000|
|1.649612|1.756477|2.040706|2.951436|2.260567|2.708227|4.817543|4.271709|4.049611|4.613597|6.869479|9.492136|6.438714|3.938730|4.352611|3.489117|3.110499|8.753293|6.910752|17.578125|5.500204|2.170463|4.053480|2.716712|1.928312|1.920256|1.805508|1.711142|1.712752|1.812775|14.052857|12.563014|0.041974|0.046029|0.047049|0.046593|0.047667|0.059399|0.057643|0.060859|0.057915|0.081388|0.109677|0.145107|0.099357|0.123776|0.086486|0.085305|0.108806|0.087357|0.078101|0.078056|0.206244|0.171592|0.140547|0.302451|0.300847|0.500000|
|1.950525|2.059383|2.388931|3.370428|2.765914|3.538816|7.204970|4.972870|4.577727|6.531675|6.940249|6.633250|5.625067|3.160607|2.969180|2.721570|2.879237|8.719466|6.893450|5.497602|17.557470|2.286913|4.133895|2.767402|1.857041|1.796352|1.633389|1.539942|1.573380|1.719638|13.779613|11.075459|0.049360|0.052801|0.057828|0.052556|0.057485|0.073863|0.064522|0.071830|0.074343|0.086362|0.198306|0.083156|0.070718|0.087834|0.074228|0.066210|0.076815|0.085601|0.069334|0.077852|0.140559|0.170350|0.205921|0.140594|0.141818|0.122476|0.500000|
|1.674635|1.751203|1.996105|2.807541|2.242172|2.731784|5.300074|3.925977|3.543958|4.548422|5.534577|5.893285|4.751809|2.819841|2.815853|2.456083|2.535334|8.769289|6.923583|6.955646|17.532333|1.954346|3.553939|2.415165|1.656495|1.617957|1.497387|1.422129|1.444564|1.553797|12.407978|10.389479|0.042823|0.045805|0.049137|0.045365|0.048586|0.060336|0.054722|0.059297|0.060090|0.071186|0.126445|0.081103|0.067633|0.084302|0.065437|0.060944|0.070601|0.075121|0.062752|0.066972|0.140999|0.207756|0.170772|0.171394|0.210354|0.141474|0.301415|0.500000|
|1.734712|1.853406|2.124736|3.076986|2.529723|3.148772|6.017861|4.650630|4.350339|5.498481|6.944151|7.526197|5.964323|3.436264|3.419381|2.820211|3.137109|8.751354|5.496253|6.911911|17.552470|2.147277|3.986120|2.597395|1.773659|1.753073|1.609198|1.505360|1.514554|1.634832|12.835265|10.926631|0.044343|0.046997|0.050570|0.048103|0.051938|0.063918|0.057402|0.067967|0.067064|0.083288|0.142436|0.095024|0.080252|0.106903|0.074389|0.069457|0.078909|0.096703|0.075869|0.081458|0.122605|0.141008|0.140597|0.206440|0.171242|0.140815|0.301653|0.300973|0.500000|
|5.031306|6.760265|7.901058|10.587112|4.896617|3.979813|6.104891|5.131034|3.094109|2.742414|2.373518|3.243502|3.756927|2.735936|2.269405|3.146098|2.701525|2.046588|2.078838|1.847293|1.889561|9.395725|10.839148|26.159531|9.376247|5.789502|4.300448|4.077070|4.872403|7.502074|61.447787|23.956544|0.118755|0.148093|0.116466|0.227932|0.145716|0.153704|0.262183|0.124062|0.120807|0.114882|0.076166|0.061286|0.061139|0.057953|0.106058|0.081869|0.083580|0.067431|0.070734|0.085341|0.060171|0.051973|0.061327|0.049822|0.047123|0.052792|0.055036|0.047995|0.050971|0.500000|
|2.660597|3.270598|3.658111|6.310712|3.951358|3.429141|5.043424|5.112236|3.152597|2.614506|2.386611|3.512582|4.227746|3.519567|2.889481|4.365659|3.672748|2.016748|1.948819|1.897328|1.842303|6.859056|15.164563|9.611187|8.946503|17.837881|8.962392|5.668119|4.962575|5.680405|31.457266|31.619305|0.068326|0.073926|0.067612|0.100190|0.086029|0.087487|0.102566|0.120432|0.092616|0.128319|0.068081|0.075174|0.082454|0.071273|0.149877|0.127105|0.105795|0.085698|0.103762|0.117541|0.056655|0.048768|0.055165|0.052701|0.047705|0.054911|0.052005|0.046541|0.051195|0.145380|0.500000|
|2.092705|2.406944|2.589496|4.033472|2.631251|2.424488|3.760805|3.600562|2.399731|2.080191|1.981202|2.931860|3.349467|2.812029|2.510309|3.471142|2.824597|1.731750|1.688759|1.678594|1.577508|3.755394|7.350112|5.653472|5.633675|8.951484|17.752718|8.933127|5.660399|4.986098|27.462994|53.613335|0.054933|0.059383|0.053649|0.073180|0.063240|0.064211|0.074699|0.077507|0.064981|0.084755|0.054246|0.067166|0.073950|0.061933|0.106195|0.107770|0.089701|0.067865|0.083142|0.083471|0.049569|0.042976|0.047060|0.046629|0.042743|0.049173|0.043896|0.040528|0.043801|0.098509|0.216389|0.500000|
|2.445160|2.630058|2.768357|3.817071|2.341268|2.179180|3.525131|3.068267|2.078036|1.902759|1.790200|2.522711|2.768566|2.124058|1.911928|2.531085|2.027466|1.613015|1.652962|1.538060|1.467352|3.290972|5.462938|5.711634|5.616272|4.957607|5.652349|8.913801|17.773077|8.941203|54.715004|53.661685|0.063990|0.074156|0.061317|0.081039|0.065161|0.067914|0.086467|0.063988|0.059870|0.068090|0.051404|0.053324|0.053464|0.048233|0.077794|0.070995|0.070954|0.050728|0.056130|0.059619|0.049071|0.042458|0.046891|0.041507|0.039872|0.045110|0.041346|0.038232|0.039689|0.115362|0.107762|0.124273|0.500000|
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