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1.6984 1.7138 1.7554 8.9082 2.2169 9.7157 11.2853 6.3416 6.3342 6.7836 6.9381 6.9105 6.9552 7.0512 7.1061 7.0579 7.0823 7.7131 7.7096 8.5590 9.0599 9.3583 0.2054 0.2308 2.3994 4.8658 8.6850 23.4115 23.0505 23.1732 6.9961 0.2285 4.0768 4.3991 0.5463 0.3596 5.4749 13.6378 12.9076 12.4484 20.2034 12.7196 11.4315 37.2580 6.9184 36.6627 26.0853 4.3360 160.7032 53.7345 1.1325 5.7262 8.5368 6.1805 8.5240 14.3583 5.2193 7.4950 5.3509 328.4338 31.0394 4.1973 21.9766 17.8613 25.0087 151.0628 2.0627 14.8744 81.6098 308.6908 4.0510 7.9502 40.9602 150.6097 1.7993 8.5726 6.9864 13.8857 123.1256 55.7925 548.3738 329.0422 18.6694 34.4875 13.5230 26.0906 17.1026 43.1878 77.1462 23.2523 16.4205 14.9112 26.2816 6.0012 1.1419 3.5970 1.7422 1.6072 2.0031 8.0912 4.2839 2.1186 3.2685 3.1559 1.4417 0.6610 0.4332 1.1252 1.0524 4.0819 3.4430 1.6739 2.5965 3.2404 3.3979 2.9427 10.7417 6.2145 8.4744 11.1894 5.3028 5.3394 13.0585 1.1370 6.3835 9.7400 14.5685 2.0018 10.6110 13.1359 5.1532 1.3262 3.9607 3.6569 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817.42 893.05 969.37 1041.29 1136.65 1143.88 1244.03 1302.54 1365.25 1395.16 1479.32 1503.49 1513.57 1593.92 1605.61 1637.55 1651.53 1704.90 1710.38 1760.44 1807.92 1857.12 1865.48 1906.13 1994.03 2026.90 2068.99 2095.44 2147.20 2175.33 2232.42 2249.27 2259.30 2279.16 2322.71 2352.20 2357.63 2380.72 2384.96 2610.41 2633.83 2689.06 2707.58 4613.82 4625.63 4679.00 4706.83 4716.30 4730.25 4741.44 4766.55 4778.26 4826.86 4930.71 4966.53 5345.55 5436.47 5487.15 0.252129 0.264129 0.265073 0.214558 -512.578259 -512.566258 -512.565314 -512.615829 1.694281D-04 MUNgauss RevisionA2.1 retrievium 17-Nov-2022 GDB_13 Smiles: CC1N(C=N)C=C(C=C)C1(C)N RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 25.031851 35.882967 15.674402 24.146680 5 6 7 4 1 |36.858105| |12.454771|36.858105| |7.779644|13.020044|53.358707| |6.008005|7.585420|19.053954|36.858105| |4.445642|5.195823|11.250205|15.137267|53.358707| |5.807889|8.199053|18.786753|7.839290|9.126615|36.858105| 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