Version2.4
2021-05-25T21:26:13Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
01-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCCOc1ccc(cc1C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)O[C@H](C)CC)Br C09783876
RHF
6-31G(d)
(6D,7F)
CCCCOc1ccc(cc1C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)O[C@H](C)CC)Br
C01[X(C22H30Br1N3O5S1)]
180
C1
559
CCCCOc1ccc(cc1C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)O[C@@H](CC)C)Br
CCCCOc1ccc(cc1C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)O[C@@H](CC)C)Br
CCCCOc1ccc(Br)cc1C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)O[C@H](C)CC
InChIKey=KZLUDRVZFYAPJH-RHSMWYFYSA-N
InChI=1S/C22H30BrN3O5S/c1-4-6-11-30-18-8-7-15(23)12-16(18)20(28)25-22(32)26-10-9-24-21(29)17(26)13-19(27)31-14(3)5-2/h7-8,12,14,17H,4-6,9-11,13H2,1-3H3,(H,24,29)(H,25,28,32)/t14-,17-/m1/s1
InChI=1/C22H30BrN3O5S/c1-4-6-11-30-18-8-7-15(23)12-16(18)20(28)25-22(32)26-10-9-24-21(29)17(26)13-19(27)31-14(3)5-2/h7-8,12,14,17H,4-6,9-11,13H2,1-3H3,(H,24,29)(H,25,28,32)/t14-,17-/m1/s1/f/h24-25H
CCCCOc1ccc(cc1C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)O[C@H](C)CC)Br
C01[X(C22H30Br1N3O5S1)]
180
C01
559
CCCCOc1ccc(cc1C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)O[C@@H](CC)C)Br
CCCCO[C]1[CH][CH][C]([CH][C]1C(=O)N[C]([N]1CC[NH][C](=O)[C@H]1CC(=O)O[C@@H](CC)C)=S)Br
CCCCO[C]1[CH][CH][C](Br)[CH][C]1C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)O[C@H](C)CC
InChIKey=KZLUDRVZFYAPJH-RHSMWYFYSA-N
InChI=1S/C22H30BrN3O5S/c1-4-6-11-30-18-8-7-15(23)12-16(18)20(28)25-22(32)26-10-9-24-21(29)17(26)13-19(27)31-14(3)5-2/h7-8,12,14,17H,4-6,9-11,13H2,1-3H3,(H,24,29)(H,25,28,32)/t14-,17-/m1/s1
InChI=1/C22H30BrN3O5S/c1-4-6-11-30-18-8-7-15(23)12-16(18)20(28)25-22(32)26-10-9-24-21(29)17(26)13-19(27)31-14(3)5-2/h7-8,12,14,17H,4-6,9-11,13H2,1-3H3,(H,24,29)(H,25,28,32)/t14-,17-/m1/s1/f/h24-25H
4104.1824073756
-4355.6863679
1-A
20753.1195
137
422
559
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11.15413
-3.8677 0.7745 -4.7243
6.1545
|XX|YY|ZZ|XY|XZ|YZ|
-175.8088 -200.1668 -232.7389 12.2206 -14.6742 -11.0305
|XX|YY|ZZ|XY|XZ|YZ|
27.0960 2.7381 -29.8341 12.2206 -14.6742 -11.0305
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-3.0300 7.8150 -34.2591 -62.5793 63.8381 -51.4497 -17.3137 99.7583 40.1668 34.4438
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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
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6.0020 10.7493 15.9824 21.0771 25.9665 34.8681 47.9536 51.8837 59.6319 62.8360 71.9672 85.7305 97.6933 101.3793 111.1602 112.2052 128.8132 142.3186 149.3333 160.8158 168.4409 183.1102 197.1963 203.0867 213.0210 227.2703 238.5460 244.1449 265.3490 265.5583 275.9688 290.4710 321.6877 322.7979 349.8840 372.3159 387.0950 397.1743 415.6317 440.5555 451.8652 463.6562 467.4674 507.4752 514.4839 529.9750 533.1474 555.4166 580.3654 607.9262 625.6013 640.8018 683.4782 689.4110 701.7754 721.6583 749.2958 760.0761 785.8838 799.6488 800.4223 807.6292 826.3738 841.6180 873.0059 888.3512 903.4244 908.0149 923.4282 937.3465 956.7070 974.4391 985.5580 997.5390 1026.2718 1041.2382 1053.8152 1060.1996 1066.6486 1080.5385 1094.6468 1098.7406 1102.5190 1108.7888 1118.2087 1144.5029 1160.9179 1170.4384 1193.2502 1196.8302 1205.0586 1219.5027 1237.7881 1240.1377 1247.6822 1254.5331 1274.9243 1298.6671 1305.3052 1312.8557 1331.5351 1343.5437 1372.7654 1373.8570 1386.1614 1390.6154 1412.8870 1422.2887 1426.1455 1434.8638 1437.9960 1448.2710 1452.4030 1456.4039 1465.0845 1471.6767 1480.9975 1522.5971 1532.5220 1545.1946 1550.2689 1551.3953 1553.0623 1567.3817 1568.2560 1572.5915 1574.3255 1583.9166 1589.8589 1612.0131 1626.0064 1635.5958 1636.7562 1642.5982 1643.0327 1643.1497 1644.0639 1645.7559 1652.8495 1655.7157 1656.6465 1662.4001 1677.8193 1682.8593 1742.7260 1771.2905 1798.4872 1953.5724 1964.2353 2035.4176 3185.6134 3200.8754 3202.9169 3206.1346 3209.9888 3210.5480 3219.0097 3219.6900 3238.6998 3239.0183 3242.0615 3246.4089 3257.3097 3261.4627 3266.6510 3268.2543 3273.5335 3278.1675 3285.7114 3287.6257 3298.8110 3299.4934 3306.8653 3353.3925 3379.5081 3396.8515 3404.9903 3418.4271 3762.6252 3851.6597
5.9881 5.3623 6.6129 4.2093 4.5926 4.4224 3.2419 6.7232 9.3247 2.0203 4.3225 6.5275 6.8842 4.0259 4.3210 5.7346 2.1186 3.8253 4.3381 2.3856 5.2699 5.5868 3.2450 3.0301 4.2903 3.9575 5.3041 1.1135 1.2188 1.3905 4.2177 4.1227 4.8276 4.9868 8.6390 7.1426 5.1237 5.6203 3.2023 4.0376 3.1337 3.5733 3.0126 3.6102 4.2583 3.4669 3.4120 4.0735 4.1645 3.2377 2.4155 1.6351 5.3517 4.9750 7.2153 3.9627 2.7338 4.6346 2.2461 2.7501 1.2789 1.8873 4.7796 1.4234 4.6894 1.1677 5.6092 1.8946 4.5022 1.5781 3.0883 2.5931 1.9481 3.6048 2.8320 1.1428 2.9482 1.5624 1.4288 3.1429 1.5456 1.3734 3.0984 2.4649 2.5991 2.3117 3.9933 4.0382 3.3004 2.3694 2.1379 2.1447 3.3568 2.0796 3.0092 1.8789 1.9291 2.6967 1.6625 2.0119 1.6651 1.5240 2.3035 1.3008 1.6731 1.4281 1.7237 1.2088 1.3568 2.2251 2.4966 1.1365 1.0705 3.2733 1.3160 1.8140 1.8408 1.2331 1.3909 1.4710 3.3970 1.4142 1.5111 1.2783 1.2879 1.7690 1.5344 1.9621 1.5078 1.1916 1.0769 1.0623 1.0602 1.3013 1.0510 1.0878 1.0413 1.0471 1.0655 1.1068 1.5322 1.8309 1.1887 1.3364 1.4707 6.7501 5.7291 8.1838 11.4313 10.6234 1.0594 1.0436 1.0511 1.0433 1.0523 1.1029 1.0423 1.0632 1.0613 1.1057 1.1030 1.0704 1.0682 1.1054 1.1029 1.1015 1.1063 1.1007 1.1024 1.1064 1.0988 1.1006 1.0952 1.0861 1.0950 1.0912 1.0932 1.0944 1.0797 1.0775
0.0001 0.0004 0.0010 0.0011 0.0018 0.0032 0.0044 0.0107 0.0195 0.0047 0.0132 0.0283 0.0387 0.0244 0.0315 0.0425 0.0207 0.0456 0.0570 0.0364 0.0881 0.1104 0.0743 0.0736 0.1147 0.1204 0.1778 0.0391 0.0506 0.0578 0.1893 0.2049 0.2943 0.3061 0.6231 0.5834 0.4523 0.5224 0.3259 0.4617 0.3770 0.4526 0.3879 0.5478 0.6641 0.5737 0.5714 0.7404 0.8265 0.7050 0.5570 0.3956 1.4730 1.3932 2.0936 1.2159 0.9043 1.5775 0.8173 1.0361 0.4828 0.7253 1.9231 0.5940 2.1057 0.5429 2.6974 0.9203 2.2620 0.8169 1.6655 1.4507 1.1149 2.1134 1.7574 0.7300 1.9290 1.0347 0.9578 2.1620 1.0912 0.9769 2.2190 1.7854 1.9148 1.7841 3.1709 3.2594 2.7687 1.9996 1.8292 1.8792 3.0302 1.8844 2.7600 1.7422 1.8474 2.6796 1.6689 2.0431 1.7394 1.6208 2.5576 1.4466 1.8941 1.6271 2.0274 1.4407 1.6259 2.6992 3.0417 1.4045 1.3304 4.0907 1.6642 2.3148 2.3789 1.6844 1.9247 2.0693 4.8102 2.0054 2.1474 1.8503 1.8662 2.5776 2.2407 2.9003 2.2455 1.8244 1.6775 1.6743 1.6734 2.0687 1.6717 1.7305 1.6584 1.6710 1.7150 1.7876 2.4775 2.9812 1.9715 2.2300 2.6317 12.4778 10.9183 18.4019 25.9856 25.9311 6.3343 6.3000 6.3532 6.3187 6.3885 6.6979 6.3633 6.4938 6.5590 6.8344 6.8308 6.6469 6.6777 6.9279 6.9342 6.9321 6.9847 6.9691 7.0122 7.0456 7.0453 7.0595 7.0563 7.1959 7.3680 7.4182 7.4674 7.5349 9.0059 9.4180
0.5582 0.5539 0.5041 0.1407 0.0887 0.2189 1.2544 3.2431 0.1412 0.0619 1.0394 2.6168 2.4157 0.3033 1.4695 0.7280 0.5513 1.0272 2.5994 0.8947 0.6718 6.4610 5.3913 1.0960 0.3026 4.8846 1.8864 0.0285 0.3983 1.0261 4.5494 6.8279 3.1562 1.8947 4.6813 3.7115 0.5007 1.9269 28.7251 2.9150 3.6015 6.5687 3.3378 7.4918 17.9867 0.6496 2.2064 27.8843 4.8216 42.6013 25.0893 63.1743 6.2840 20.8973 25.4912 26.8424 44.9476 10.6585 19.5003 17.1992 1.4460 82.5812 27.8106 2.6784 17.8663 1.0712 9.8830 6.2599 25.9632 38.8985 14.2154 33.1433 17.2696 54.0160 20.6473 0.6516 21.3503 11.4855 15.7692 32.0955 7.9480 1.9583 3.7505 122.6228 23.6666 2.0852 13.7590 107.3072 88.7276 0.6979 20.9182 80.9740 48.1253 7.5819 4.4171 81.0320 39.4237 49.0509 1.5260 1.3694 219.8246 140.1081 378.1673 16.0970 173.5235 137.8165 87.8252 1.4538 10.1190 232.0652 530.5938 8.6730 3.3369 166.5454 19.0147 132.0116 164.3091 22.0020 4.6717 49.1490 63.9474 22.6358 55.1585 8.6338 0.7526 141.3706 45.4752 126.6507 56.3894 34.5950 0.3991 3.9446 0.4692 22.6884 1.4605 1.0910 5.5213 10.6980 5.3987 4.7402 58.7256 207.7711 29.4119 38.1827 670.5559 57.2071 44.0763 498.4514 384.0583 295.5545 22.4677 35.6207 40.2567 32.6072 10.3267 13.6784 28.1330 30.0484 44.4629 16.2326 7.5159 8.9013 20.0481 3.2395 60.7134 50.4915 122.7128 8.6717 38.1732 33.3615 37.1717 14.3426 39.0378 2.8973 0.5367 3.7119 1.3199 9.9735 348.4038 60.2902
1.4587 0.1923 0.8686 0.3743 0.9158 1.1090 1.1577 0.9117 0.9453 0.2337 1.1174 1.6423 1.5105 0.3125 0.2510 0.4126 0.0676 1.9072 0.6972 0.9530 0.7426 0.4478 0.2590 2.8726 4.7862 0.3857 0.8839 0.0273 0.2050 0.4041 0.3232 0.3815 2.1175 0.9735 1.7209 1.8656 3.3906 1.4790 1.3559 1.2200 0.6674 0.9593 1.0152 2.0808 1.2327 0.9637 1.3190 1.2535 0.9318 1.4234 2.0310 1.1542 2.6227 1.0394 7.5875 7.8335 3.9750 2.2598 5.4104 2.3981 0.6476 3.7115 1.2827 2.1743 0.5949 0.1703 20.7531 7.3445 1.7482 2.1983 3.4803 8.8268 22.3788 0.8365 0.8191 0.1091 3.4139 1.5142 0.9373 5.3902 5.8930 1.0221 3.1251 0.8345 0.6597 8.8227 7.0899 3.6781 6.6496 1.3320 7.1016 1.2523 37.3407 7.4071 5.5095 2.3202 2.6238 3.1085 1.0149 3.8271 3.1522 2.6749 4.8396 2.2776 5.8387 9.7976 2.9500 6.8977 2.2332 2.1091 7.4197 5.2292 27.5245 2.6975 6.5648 2.0184 1.7204 6.7374 0.9216 9.4650 0.6056 2.4478 10.0854 1.3976 1.2739 13.7266 6.4412 2.9949 2.4525 7.2910 7.5073 25.3478 34.8112 6.8068 24.5890 1.6136 20.3205 1.4249 8.1607 4.8641 4.9910 9.9931 10.3748 6.2952 11.3162 14.0117 48.7996 6.7153 5.5630 20.2468 33.2630 14.2133 193.1498 44.7186 56.6325 104.6682 179.4202 52.6439 131.8290 49.3614 87.9947 28.4526 118.3598 21.7614 108.1018 78.4079 17.7512 79.7613 45.4739 52.1685 53.2297 50.5334 26.6629 29.8782 27.6902 56.6625 38.1121 136.1575 72.5598 119.0019
0.7458 0.7420 0.7432 0.7404 0.7334 0.6960 0.7465 0.7465 0.7402 0.7473 0.7360 0.7278 0.6922 0.7475 0.7350 0.2722 0.7372 0.6683 0.3561 0.7299 0.6870 0.7330 0.3469 0.1449 0.2795 0.4557 0.6731 0.7491 0.1630 0.1512 0.3319 0.7085 0.2169 0.6195 0.5356 0.7495 0.1242 0.7493 0.1561 0.6021 0.7151 0.7318 0.1240 0.2089 0.7476 0.6775 0.2552 0.3693 0.1705 0.3114 0.4614 0.7471 0.4427 0.7020 0.3017 0.4643 0.4614 0.2520 0.3650 0.4414 0.3682 0.6412 0.6066 0.1621 0.6839 0.6590 0.0648 0.3588 0.6375 0.6722 0.7033 0.7411 0.1918 0.6707 0.5762 0.5391 0.1598 0.3931 0.7487 0.2260 0.6283 0.7500 0.7239 0.5196 0.7027 0.7315 0.4379 0.7142 0.0712 0.6905 0.5698 0.6186 0.1754 0.6592 0.5495 0.4149 0.4323 0.7403 0.7476 0.2286 0.5743 0.7334 0.6360 0.7443 0.7414 0.7065 0.2865 0.6823 0.3327 0.5369 0.1089 0.7077 0.7464 0.6233 0.7253 0.7021 0.7265 0.7377 0.6244 0.4949 0.3812 0.7262 0.7487 0.7311 0.7422 0.7023 0.7477 0.7453 0.6864 0.7174 0.7113 0.7223 0.7094 0.6844 0.7475 0.4820 0.7498 0.6496 0.7421 0.5971 0.6155 0.2765 0.6919 0.6342 0.7121 0.2011 0.7456 0.5491 0.3815 0.0857 0.2920 0.2486 0.0309 0.1307 0.0670 0.7171 0.0419 0.0365 0.1851 0.7442 0.7157 0.6032 0.0887 0.7499 0.6222 0.4437 0.7309 0.7484 0.7453 0.6069 0.6837 0.6188 0.1835 0.1999 0.3566 0.5731 0.2945 0.1803 0.1696 0.2873
0.8544 0.8519 0.8527 0.8508 0.8462 0.8207 0.8549 0.8549 0.8507 0.8554 0.8479 0.8424 0.8181 0.8555 0.8473 0.4279 0.8487 0.8012 0.5252 0.8439 0.8145 0.8459 0.5152 0.2531 0.4368 0.6261 0.8046 0.8566 0.2803 0.2627 0.4983 0.8294 0.3564 0.7650 0.6976 0.8568 0.2210 0.8567 0.2700 0.7516 0.8339 0.8452 0.2206 0.3456 0.8556 0.8078 0.4067 0.5394 0.2913 0.4749 0.6314 0.8552 0.6137 0.8249 0.4636 0.6341 0.6314 0.4025 0.5348 0.6124 0.5383 0.7814 0.7552 0.2789 0.8123 0.7945 0.1217 0.5281 0.7786 0.8040 0.8258 0.8513 0.3218 0.8029 0.7311 0.7006 0.2755 0.5643 0.8563 0.3686 0.7717 0.8571 0.8398 0.6839 0.8254 0.8449 0.6091 0.8333 0.1329 0.8169 0.7260 0.7644 0.2985 0.7946 0.7093 0.5865 0.6037 0.8508 0.8556 0.3722 0.7296 0.8462 0.7775 0.8534 0.8515 0.8280 0.4454 0.8111 0.4992 0.6986 0.1964 0.8288 0.8548 0.7679 0.8408 0.8250 0.8416 0.8491 0.7688 0.6621 0.5519 0.8414 0.8563 0.8446 0.8520 0.8251 0.8556 0.8541 0.8141 0.8355 0.8313 0.8388 0.8300 0.8127 0.8555 0.6505 0.8570 0.7876 0.8519 0.7477 0.7620 0.4332 0.8179 0.7762 0.8318 0.3349 0.8543 0.7089 0.5523 0.1579 0.4520 0.3982 0.0600 0.2312 0.1256 0.8352 0.0805 0.0704 0.3124 0.8534 0.8343 0.7525 0.1630 0.8571 0.7671 0.6147 0.8446 0.8561 0.8540 0.7553 0.8121 0.7645 0.3102 0.3331 0.5257 0.7286 0.4549 0.3055 0.2900 0.4464
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
6 6 6 6 8 6 6 6 6 6 6 6 8 7 6 16 7 6 6 7 6 8 6 1 6 6 8 8 6 1 6 6 6 35 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 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 78.91834 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
20077.8581 22538.1977 32887.8937
0.99195 -0.12626 -0.00959 0.12600 0.99174 -0.02390 0.01252 0.02250 0.99967
1
0.00431 0.00384 0.00263
0.08989 0.08007 0.05488
8.64 15.47 23.00 30.33 37.36 50.17 68.99 74.65 85.80 90.41 103.54 123.35 140.56 145.86 159.93 161.44 185.33 204.76 214.86 231.38 242.35 263.45 283.72 292.20 306.49 326.99 343.21 351.27 381.78 382.08 397.06 417.92 462.84 464.43 503.41 535.68 556.94 571.45 598.00 633.86 650.13 667.10 672.58 730.14 740.23 762.52 767.08 799.12 835.02 874.67 900.10 921.97 983.37 991.91 1009.70 1038.31 1078.07 1093.58 1130.71 1150.52 1151.63 1162.00 1188.97 1210.90 1256.06 1278.14 1299.83 1306.43 1328.61 1348.63 1376.49 1402.00 1418.00 1435.24 1476.58 1498.11 1516.21 1525.39 1534.67 1554.65 1574.95 1580.84 1586.28 1595.30 1608.85 1646.68 1670.30 1684.00 1716.82 1721.97 1733.81 1754.59 1780.90 1784.28 1795.14 1804.99 1834.33 1868.49 1878.04 1888.91 1915.78 1933.06 1975.10 1976.67 1994.38 2000.79 2032.83 2046.36 2051.91 2064.45 2068.96 2083.74 2089.68 2095.44 2107.93 2117.41 2130.83 2190.68 2204.96 2223.19 2230.49 2232.11 2234.51 2255.11 2256.37 2262.61 2265.10 2278.90 2287.45 2319.33 2339.46 2353.26 2354.93 2363.33 2363.96 2364.13 2365.44 2367.88 2378.08 2382.21 2383.54 2391.82 2414.01 2421.26 2507.39 2548.49 2587.62 2810.75 2826.10 2928.51 4583.39 4605.35 4608.28 4612.91 4618.46 4619.26 4631.44 4632.42 4659.77 4660.22 4664.60 4670.86 4686.54 4692.52 4699.98 4702.29 4709.88 4716.55 4727.41 4730.16 4746.25 4747.24 4757.84 4824.78 4862.36 4887.31 4899.02 4918.35 5413.58 5541.68
0.548262
0.580437
0.581381
0.476969
-4355.138106
-4355.105931
-4355.104987
-4355.209398
3.501962D-04
MUNgauss
RevisionA2.1
retrievium
25-May-2021
DUDE CCCCOc1ccc(cc1C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)O[C@H](C)CC)Br C09783876
RHF
6-31G(d)
(6D,10F)
C1
527.108954
|X|Y|Z|
100.527001 88.467317 53.118233
77.881875
15
|36.858105|
|12.466017|36.858105|
|7.491447|12.453954|36.858105|
|4.890215|7.524328|12.551487|36.858105|
|3.885140|5.096069|8.070247|13.517182|73.516695|
|3.088545|3.886731|5.239029|7.969643|25.363565|36.858105|
|2.829724|3.590648|4.399215|6.691887|14.086412|13.723531|36.858105|
|2.347004|2.850317|3.338485|4.501997|9.269871|7.909727|13.739680|36.858105|
|2.140159|2.520918|2.979718|3.785637|8.233193|6.851471|7.956994|13.836947|36.858105|
|2.242611|2.613262|3.198940|3.971359|9.405555|7.906412|6.889231|7.966818|13.772499|36.858105|
|2.649610|3.143730|4.087430|5.227274|14.522442|13.591438|7.918999|6.867645|7.933727|13.768949|36.858105|
|2.672250|3.043897|4.011826|4.564845|12.170804|7.532431|5.022294|4.454033|5.051750|7.641496|12.656201|36.858105|
|2.887497|3.239956|4.332086|4.635645|11.764519|6.306187|4.388834|3.805698|4.098357|5.519564|8.035304|16.106506|73.516695|
|2.359961|2.615103|3.306578|3.624468|8.769629|5.344739|4.036873|3.807630|4.462860|6.492291|7.902302|13.650486|14.841412|53.358707|
|2.154156|2.313920|2.839882|2.971523|6.709481|3.899589|3.135995|3.010167|3.468069|4.608726|5.116799|7.658398|11.559462|18.849275|36.858105|
|2.025019|2.143316|2.577691|2.650580|5.773866|3.325835|2.749481|2.663631|3.044553|3.895405|4.195328|5.933312|10.689177|9.709812|11.456242|388.023441|
|2.016937|2.138837|2.570267|2.652574|5.774523|3.310680|2.763835|2.673063|3.025064|3.795610|4.074057|5.298749|8.211745|11.327955|13.991350|50.743570|53.358707|
|1.810585|1.883383|2.205583|2.233724|4.683988|2.657238|2.287814|2.233081|2.495508|3.002477|3.143024|3.893798|6.453072|7.097380|7.784296|44.801180|17.790379|36.858105|
|1.879318|1.914833|2.228962|2.188643|4.501545|2.466387|2.120797|2.029113|2.205735|2.603845|2.809074|3.480170|6.071349|5.859290|5.845824|37.198513|10.679983|12.562239|36.858105|
|2.002950|2.032911|2.368477|2.301442|4.698504|2.528831|2.173958|2.053102|2.194489|2.561886|2.809611|3.405427|5.865761|5.668287|5.095060|29.631738|9.443022|7.883370|13.102162|53.358707|
|2.124178|2.192530|2.587093|2.551177|5.278671|2.847848|2.431963|2.283964|2.436470|2.856221|3.161441|3.776462|6.242009|6.479955|5.397050|28.356548|10.403053|6.793579|7.622860|19.306260|36.858105|
|2.188860|2.246177|2.618075|2.555183|5.159582|2.742828|2.376978|2.213026|2.311423|2.644045|2.935006|3.358732|5.582261|5.445979|4.194923|23.080436|7.226746|4.773747|5.295217|11.581086|15.851654|73.516695|
|2.108905|2.239174|2.688947|2.764728|5.953068|3.349009|2.817900|2.685268|2.954877|3.590315|3.925529|4.756576|7.295354|9.319270|7.647669|33.784432|17.692174|7.845600|6.471983|10.485374|12.411922|14.360308|36.858105|
|2.352159|2.538950|3.128299|3.253537|7.220170|4.011193|3.271418|3.038129|3.299950|4.068299|4.680974|5.686007|8.398319|11.036226|7.394873|32.370952|12.432730|5.730229|5.102717|8.205398|9.167873|13.334135|17.702886|0.500000|
|1.876135|1.999879|2.338981|2.449318|5.131055|2.978205|2.626349|2.582897|2.859078|3.337092|3.429005|3.789756|5.777226|6.920083|5.278047|26.449292|10.316528|6.015109|4.820738|7.487063|7.666370|11.562343|12.415150|0.247503|36.858105|
|1.829419|1.988118|2.323769|2.520279|5.330228|3.249440|2.928745|2.983024|3.409996|3.960835|3.831083|3.965110|5.802245|7.179933|4.962040|25.310921|8.259546|4.714835|3.722254|5.361241|4.947145|7.955350|7.459793|0.193228|12.629203|36.858105|
|1.957470|2.166907|2.574838|2.876262|6.276745|3.991960|3.552243|3.659494|4.330112|5.234330|4.924674|4.870166|6.735949|8.943411|5.438421|27.046206|8.006388|4.307676|3.453078|4.878549|4.419261|7.141145|6.660785|0.198619|7.947002|15.926415|73.516695|
|1.638531|1.769908|2.023711|2.187241|4.492018|2.738827|2.559361|2.662266|3.018251|3.334785|3.135135|3.160061|4.777581|5.352384|3.815260|21.176961|6.150121|3.928348|3.181929|4.522311|3.955220|6.590052|5.165281|0.132335|8.169847|14.544423|15.297152|73.516695|
|1.557022|1.696198|1.920346|2.110889|4.289951|2.680456|2.593696|2.796635|3.208485|3.388584|3.040704|2.923053|4.423787|4.717781|3.259039|18.909076|4.882063|3.157390|2.618335|3.649182|3.088413|5.232505|3.866471|0.104354|5.145005|7.993272|12.499356|23.444315|36.858105|
|1.652223|1.822016|2.071761|2.318480|4.732747|3.014040|2.959874|3.236017|3.718393|3.842462|3.396096|3.139663|4.679593|4.968714|3.276328|18.826495|4.753667|2.979400|2.511476|3.534061|3.028441|5.197343|3.814695|0.107889|4.828307|7.599912|14.063270|16.536140|17.635764|0.500000|
|1.476781|1.605707|1.816233|1.997137|4.072416|2.572529|2.490734|2.740453|3.250983|3.452652|2.987644|2.893498|4.403162|4.651335|3.290520|19.818728|4.780383|3.166638|2.566513|3.435372|2.801224|4.621501|3.496090|0.092971|4.307849|6.091945|10.407988|14.018615|12.534646|0.246663|36.858105|
|1.428863|1.543292|1.716259|1.864233|3.692608|2.262307|2.224192|2.376791|2.630130|2.700506|2.479455|2.389935|3.718963|3.736048|2.629130|15.776049|3.946924|2.663757|2.291566|3.230006|2.692033|4.690890|3.160132|0.085005|4.119375|5.337091|8.272331|14.263908|12.515933|0.246027|7.499609|36.858105|
|1.470812|1.585861|1.752023|1.892362|3.698879|2.229293|2.199113|2.302518|2.467277|2.515091|2.378041|2.286112|3.584925|3.523406|2.455276|14.649798|3.701782|2.487114|2.208230|3.206840|2.718595|4.913711|3.091169|0.084716|4.015598|4.853228|7.539736|11.545481|7.453515|0.191835|4.869268|12.469484|36.858105|
|1.766856|2.023944|2.299345|2.761060|5.633787|4.071585|4.590335|6.684287|10.035045|6.682555|4.589199|3.573353|5.423876|4.669637|2.894603|18.729640|3.563372|2.248560|1.969177|2.634515|2.114933|3.566267|2.530530|0.075204|2.555058|3.095278|6.659746|5.175206|3.283295|0.104317|3.527279|2.730102|2.474139|2539.412838|
|17.553085|8.779149|5.463238|4.057237|5.810969|2.704602|2.549684|2.153533|1.959266|2.024335|2.340479|2.334290|4.433114|2.841538|1.920172|12.923442|2.465526|1.642642|1.701437|2.460236|1.908052|3.504607|1.891576|0.057984|1.707586|1.671713|3.163013|2.690641|1.447412|0.042594|1.374647|1.339426|1.381633|55.974518|0.500000|
|17.544969|8.779717|6.795278|4.519928|6.696125|3.009218|2.714497|2.272307|2.100641|2.225357|2.634347|2.715923|5.356162|3.240038|2.197569|14.968765|2.773083|1.840009|1.921403|2.755489|2.115853|3.824769|2.096267|0.064458|1.846626|1.793201|3.407709|2.851199|1.520519|0.044578|1.454788|1.390717|1.420103|59.194138|0.301599|0.500000|
|17.542547|8.778056|6.790610|4.519732|6.690369|2.992737|2.710716|2.265512|2.088383|2.206539|2.608511|2.669963|5.081771|3.273255|2.209459|14.582776|2.855257|1.884889|1.977750|2.915963|2.283070|4.244182|2.227322|0.069168|1.973248|1.898982|3.581993|3.015714|1.597173|0.046958|1.502933|1.469275|1.522764|58.870986|0.301612|0.301714|0.500000|
|8.866963|17.509012|8.845068|6.901064|8.382963|3.766203|3.592826|2.872098|2.514447|2.567787|3.041124|2.896635|5.508593|3.355092|2.185796|14.644835|2.727048|1.774327|1.790040|2.549844|2.002797|3.608332|2.065309|0.064391|1.859370|1.868001|3.631734|2.977389|1.621026|0.048360|1.549505|1.475943|1.505982|69.089705|0.213095|0.210917|0.173050|0.500000|
|8.865731|17.505797|8.840525|6.904101|8.374936|3.735345|3.585037|2.859063|2.494096|2.539687|3.002545|2.842070|5.214362|3.392450|2.197797|14.287251|2.804995|1.814443|1.835265|2.674869|2.142146|3.951991|2.189757|0.069063|1.988176|1.987942|3.844090|3.165304|1.714445|0.051429|1.607869|1.570376|1.629398|68.590573|0.213027|0.173052|0.210906|0.303720|0.500000|
|6.851240|8.822410|17.540368|8.947346|13.141584|4.912148|4.047834|3.150563|2.875686|3.136610|4.010600|4.076133|7.666928|4.742291|3.005115|18.891919|3.773207|2.362808|2.416111|3.577935|2.916939|5.340791|2.979849|0.097877|2.558231|2.494173|4.868750|3.825618|2.011433|0.060147|1.878405|1.798270|1.852243|76.153722|0.140103|0.168839|0.203226|0.173293|0.210914|0.500000|
|6.837636|8.812024|17.552443|8.957874|13.196122|4.990017|4.064112|3.171230|2.909637|3.192891|4.108365|4.245597|8.714099|4.644245|2.975591|19.748070|3.590324|2.276442|2.315516|3.293738|2.591322|4.571735|2.687371|0.085793|2.300290|2.269458|4.459396|3.507708|1.865659|0.055414|1.787821|1.660767|1.677068|76.893926|0.139938|0.202891|0.168397|0.210929|0.173160|0.303539|0.500000|
|4.525964|6.834679|8.829015|17.546259|16.538550|7.178323|6.804312|4.634182|3.796146|3.850923|4.844436|4.141681|7.606829|4.455127|2.726579|17.830910|3.288535|2.064404|2.012702|2.833542|2.270608|4.006105|2.464285|0.078734|2.210988|2.296929|4.650459|3.594364|1.978086|0.060177|1.899145|1.754145|1.765357|95.091866|0.108355|0.119549|0.111154|0.205695|0.170242|0.174079|0.212988|0.500000|
|4.525530|6.826476|8.832096|17.536662|16.512396|6.974804|6.742719|4.576187|3.726684|3.759668|4.697061|3.991736|6.888413|4.551561|2.754046|17.211459|3.434008|2.131540|2.080861|3.013967|2.485866|4.504983|2.690565|0.088026|2.442985|2.537048|5.134278|3.947447|2.158815|0.066534|2.012137|1.922200|1.977426|93.786583|0.108297|0.111148|0.119640|0.169733|0.205524|0.213294|0.174225|0.300601|0.500000|
|3.037895|3.990401|4.677661|7.435081|12.601591|8.888036|17.775620|8.975297|5.676003|4.965307|5.628073|4.081156|6.664741|4.599951|2.726144|17.253050|3.336649|2.067875|1.948926|2.741850|2.242649|3.957033|2.529751|0.080931|2.372005|2.597074|5.434158|4.099957|2.335339|0.073462|2.224914|2.049730|2.057113|130.377047|0.076738|0.079428|0.079736|0.112794|0.113705|0.116183|0.115351|0.222998|0.229467|0.500000|
|2.193095|2.646024|2.980463|3.904904|7.475876|5.640604|8.932301|17.748597|8.945454|5.660390|4.951660|3.560687|5.590520|4.285528|2.584554|16.537325|3.188463|1.998346|1.828010|2.521243|2.047237|3.557634|2.365732|0.073194|2.315837|2.663311|5.648120|4.339588|2.608196|0.083602|2.557780|2.269676|2.210106|219.196020|0.056743|0.058679|0.058611|0.074898|0.074769|0.077953|0.078170|0.113981|0.113392|0.217294|0.500000|
|2.045532|2.327545|2.805827|3.319644|7.593566|5.632662|4.963250|5.667146|8.940045|17.753337|8.941416|7.109179|9.265757|9.495821|5.175359|31.316872|5.699566|3.308834|2.773625|3.625482|2.934916|4.726859|3.770893|0.114256|3.537574|4.274914|10.038959|6.404032|3.659880|0.112321|3.913060|2.847025|2.575941|219.856688|0.051538|0.056810|0.056260|0.063418|0.062671|0.077380|0.078857|0.089381|0.087373|0.107782|0.124523|0.500000|
|2.261097|2.523509|3.142852|3.520552|8.365094|5.319216|4.182726|4.053271|4.841841|6.958897|7.682925|9.311492|10.864695|25.888768|9.406219|38.803655|10.588180|4.916332|3.979275|5.434753|4.791091|7.337209|7.404265|0.253649|6.008446|6.893500|17.552217|8.496384|4.164849|0.124716|3.984774|3.171780|2.978468|126.794556|0.055990|0.062433|0.064253|0.065931|0.068084|0.092593|0.087431|0.087858|0.093346|0.096552|0.092962|0.207533|0.500000|
|1.728467|1.798930|2.095764|2.132051|4.457555|2.556480|2.215496|2.185191|2.466096|2.968712|3.051023|3.775228|6.360545|6.651120|7.391111|52.621224|12.442419|17.728376|8.857963|7.724790|4.948935|6.713011|5.684241|0.127701|4.718555|4.084749|6.880386|6.264708|2.955894|0.077448|3.085455|2.499225|2.295751|76.764120|0.043714|0.049109|0.049517|0.047543|0.047917|0.061418|0.060644|0.055478|0.056143|0.055500|0.054441|0.092636|0.124735|0.500000|
|1.688692|1.757385|2.032270|2.070576|4.284202|2.452478|2.155180|2.128254|2.375978|2.797219|2.861017|3.377949|5.519495|6.022460|5.838019|33.962918|12.536654|17.581464|8.891706|9.547127|6.442969|8.417619|7.328046|0.145486|6.831308|5.124526|7.761920|7.912008|3.449190|0.087710|3.432877|2.935721|2.718132|74.464944|0.042863|0.047314|0.048911|0.046027|0.047489|0.060483|0.057553|0.053257|0.055644|0.054389|0.053418|0.085572|0.123185|0.302097|0.500000|
|1.984365|2.010627|2.355948|2.285490|4.712427|2.548060|2.166039|2.052410|2.221299|2.639618|2.899242|3.696962|6.720912|6.002998|6.070238|42.837530|9.408473|8.888730|17.593878|12.346351|6.164499|8.175650|5.497971|0.131309|4.049999|3.312186|5.686352|5.027715|2.394535|0.064772|2.370146|2.094646|2.020420|66.714239|0.049630|0.057023|0.057804|0.052296|0.052899|0.070599|0.069178|0.058552|0.059486|0.055315|0.051175|0.077633|0.108277|0.217330|0.174399|0.500000|
|1.718773|1.737891|1.988286|1.948320|3.935674|2.164795|1.895268|1.827775|1.978997|2.292969|2.432616|2.920971|5.128965|4.754776|4.501344|30.676950|7.709131|8.885142|17.575325|12.508413|5.825104|7.959767|4.944746|0.111968|4.117645|3.262457|5.320562|5.167768|2.422058|0.063849|2.393427|2.165080|2.084216|61.293943|0.043614|0.048834|0.050171|0.045357|0.046420|0.059444|0.057256|0.050212|0.051739|0.048758|0.046218|0.067866|0.091456|0.208457|0.218188|0.301013|0.500000|
|1.990016|1.988109|2.283598|2.182088|4.362271|2.318748|2.013653|1.893187|1.996922|2.293368|2.517893|2.991179|5.253044|4.759364|4.092953|25.142854|6.947478|5.710188|8.965896|26.001361|9.651046|14.037059|5.678895|0.134705|4.467203|3.345091|5.459002|5.171097|2.396747|0.064714|2.250738|2.168433|2.181830|60.223865|0.050076|0.055907|0.059607|0.050734|0.053438|0.070675|0.064736|0.054911|0.058498|0.052448|0.047825|0.065508|0.093385|0.125716|0.147952|0.204435|0.220334|0.500000|
|1.896200|2.013222|2.331008|2.421263|4.967462|2.835171|2.534328|2.466552|2.658832|3.016744|3.138703|3.376518|5.244298|5.785665|4.247183|22.416453|7.590241|4.722800|4.193104|6.949755|7.380388|13.292617|8.913651|0.213531|17.568570|9.071913|11.414041|12.639302|4.745797|0.126696|3.797048|4.076294|4.289292|80.792008|0.048081|0.051373|0.055902|0.051609|0.056180|0.071642|0.062824|0.060280|0.068114|0.064619|0.062087|0.086280|0.136932|0.106121|0.145865|0.099570|0.102286|0.121741|0.500000|
|1.714936|1.809167|2.085991|2.165160|4.463088|2.588222|2.315131|2.301539|2.552836|2.938805|2.965743|3.283692|5.141583|5.830278|4.733937|25.382059|9.344324|6.525038|5.052057|7.477175|6.740055|9.988246|8.715193|0.173353|17.600640|8.995988|10.706633|13.741780|4.904322|0.120526|4.303586|4.093724|3.871270|80.080317|0.043652|0.047145|0.049970|0.047041|0.049833|0.062769|0.057456|0.055013|0.059748|0.058511|0.058005|0.087906|0.133470|0.141484|0.240104|0.113163|0.125321|0.124596|0.304910|0.500000|
|1.396791|1.503580|1.691512|1.833255|3.709791|2.301113|2.210843|2.393091|2.789752|2.987295|2.652907|2.641135|4.097582|4.256459|3.137389|19.324172|4.663568|3.234323|2.607320|3.447393|2.756181|4.516751|3.360416|0.086790|4.163923|5.389781|8.620830|12.675729|8.837347|0.173696|17.558290|6.838352|4.504422|101.872632|0.036193|0.038360|0.039574|0.040295|0.041703|0.048688|0.046502|0.048491|0.051062|0.055409|0.062309|0.093860|0.098398|0.088305|0.100094|0.066165|0.068670|0.062865|0.101625|0.122592|0.500000|
|1.556945|1.700714|1.945857|2.153965|4.473433|2.868767|2.735621|3.029164|3.729402|4.109526|3.453075|3.358140|5.013062|5.511347|3.862617|22.999270|5.454484|3.505516|2.769811|3.643284|2.964424|4.792452|3.823187|0.102202|4.508012|6.491739|12.155334|12.604985|8.827209|0.214116|17.594454|5.478080|4.046460|136.258962|0.040050|0.042788|0.043870|0.045662|0.046981|0.055699|0.053561|0.056956|0.059646|0.066698|0.076981|0.135962|0.132623|0.096226|0.103019|0.071685|0.070711|0.065531|0.106299|0.122296|0.300077|0.500000|
|1.414192|1.542042|1.728569|1.912144|3.852010|2.450407|2.430583|2.729352|3.227131|3.286472|2.797877|2.644893|4.066330|4.098002|2.861743|17.732993|4.044119|2.702754|2.248898|3.012904|2.433130|4.069345|2.953669|0.080119|3.498482|4.669952|8.382845|10.087863|8.871642|0.212021|17.563452|6.808753|4.532611|126.626389|0.036749|0.038643|0.039782|0.041596|0.043022|0.049251|0.047162|0.050996|0.053748|0.060658|0.072135|0.101960|0.095753|0.073991|0.080008|0.058476|0.058669|0.055549|0.088453|0.096272|0.300640|0.301825|0.500000|
|1.358143|1.454044|1.612316|1.731028|3.420244|2.072758|2.018947|2.138888|2.365669|2.458985|2.279255|2.243891|3.532406|3.527364|2.553155|15.533451|3.891717|2.711274|2.327479|3.253165|2.665146|4.607082|3.073426|0.080547|4.023887|4.882146|7.314833|13.045673|8.920035|0.174347|6.877700|17.536839|8.830754|83.505535|0.035408|0.036880|0.038847|0.038647|0.040916|0.046956|0.043624|0.045345|0.049208|0.051850|0.056672|0.072734|0.081680|0.070903|0.084764|0.058549|0.061926|0.060786|0.109522|0.117294|0.205581|0.140954|0.168403|0.500000|
|1.367413|1.481008|1.635618|1.787014|3.511680|2.168574|2.170416|2.357821|2.606409|2.609887|2.359318|2.238393|3.501439|3.424579|2.393504|14.663665|3.502493|2.373438|2.058866|2.872088|2.359309|4.111417|2.741040|0.074700|3.397324|4.304742|7.126030|10.240046|8.991388|0.211324|7.015499|17.533324|8.855142|95.541902|0.035757|0.036966|0.038843|0.039599|0.041920|0.047189|0.043963|0.047140|0.051273|0.055757|0.063473|0.076208|0.079820|0.062872|0.071513|0.052939|0.054253|0.053930|0.092837|0.093421|0.173707|0.142497|0.209213|0.303360|0.500000|
|1.525624|1.635443|1.814655|1.939037|3.802976|2.259135|2.189561|2.249357|2.401022|2.498006|2.412789|2.364815|3.715708|3.695580|2.602425|15.311442|4.024575|2.708719|2.419311|3.585334|3.093744|5.673783|3.478531|0.094132|4.721327|5.407611|7.917599|12.766644|6.700026|0.169602|4.465502|8.775023|17.577479|79.670647|0.039673|0.040917|0.044187|0.042837|0.046613|0.053845|0.048257|0.049808|0.056149|0.056925|0.059332|0.071006|0.086795|0.068164|0.083220|0.060741|0.063305|0.067698|0.147777|0.126229|0.117918|0.107134|0.110574|0.210729|0.172973|0.500000|
|1.372117|1.470572|1.606601|1.723093|3.324414|1.988270|1.975147|2.064651|2.188694|2.210363|2.098378|2.022869|3.216254|3.072959|2.163598|13.179024|3.239753|2.221591|2.002505|2.898656|2.412653|4.387111|2.666350|0.072826|3.347983|3.835814|6.077150|8.662704|5.460846|0.141039|4.055611|8.809765|17.560353|75.548000|0.036013|0.036799|0.039440|0.038900|0.042042|0.047028|0.042758|0.044912|0.050035|0.051862|0.055662|0.062717|0.070761|0.057428|0.067352|0.051085|0.053129|0.055458|0.099436|0.091747|0.108251|0.094631|0.108839|0.212011|0.213641|0.301959|0.500000|
|1.542155|1.678306|1.853303|2.025347|3.944152|2.394602|2.396764|2.519442|2.666135|2.668627|2.518952|2.367023|3.691365|3.591299|2.441299|14.512559|3.608246|2.376250|2.124983|3.097854|2.646582|4.825168|3.025709|0.085453|3.797846|4.675123|7.726267|10.145433|6.769643|0.205124|4.518366|8.774670|17.537438|90.297774|0.040247|0.041122|0.044275|0.044255|0.048235|0.054351|0.048850|0.052380|0.059479|0.062462|0.067562|0.074545|0.084949|0.061051|0.070690|0.054637|0.055238|0.058658|0.113196|0.097929|0.111039|0.108237|0.120450|0.172666|0.210516|0.301259|0.301859|0.500000|
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