Version2.5
2022-04-09T23:44:05Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
23-Feb-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: C1C2CN1CC1=CNC=C1C=C2
RHF
6-31G(d)
(6D,7F)
C1C2CN1CC1=CNC=C1C=C2
C1[X(C10H12N2)]
66
C1
204
C1C2CN1CC1=CNC=C1C=C2
[nH]1cc2c(c1)CN1CC(C=C2)C1
C1C2CN1Cc3c[nH]cc3C=C2
InChIKey=MALDDWRCHJZUDE-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-2-9-3-11-4-10(9)7-12-5-8(1)6-12/h1-4,8,11H,5-7H2
InChI=1/C10H12N2/c1-2-9-3-11-4-10(9)7-12-5-8(1)6-12/h1-4,8,11H,5-7H2
C1C2CN1CC1=CNC=C1C=C2
C01[X(C10H12N2)]
66
C1
204
C1C2CN1CC1=CNC=C1C=C2
N1C[C@@H]2[C@@H](C1)CC[C@H]1C[N@@](C2)C1
C1C[C@@H]2CNC[C@H]2CN3CC1C3
InChIKey=DLKKMWNYFKXJLC-ZJUUUORDSA-N
InChI=1S/C10H18N2/c1-2-9-3-11-4-10(9)7-12-5-8(1)6-12/h8-11H,1-7H2/t9-,10+/m1/s1
InChI=1/C10H18N2/c1-2-9-3-11-4-10(9)7-12-5-8(1)6-12/h8-11H,1-7H2/t9-,10+/m1/s1
4.940657100680D+02
-2.548672041910D+03
697.4069602653
-494.4761289
1-A
1828.3130
43
161
204
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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|
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11.81400
-2.9127 0.7563 0.0671
3.0100
|XX|YY|ZZ|XY|XZ|YZ|
-56.4035 -69.9718 -74.0150 3.2047 -0.9514 0.0598
|XX|YY|ZZ|XY|XZ|YZ|
10.3933 -3.1750 -7.2183 3.2047 -0.9514 0.0598
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-66.4157 6.8485 0.5567 -18.9280 8.0081 4.3773 6.2262 -5.8578 -1.0363 0.8754
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1214.7928 -703.9430 -203.9542 15.2935 -16.9381 18.8947 -3.3758 0.1550 1.4955 -361.8747 -303.1755 -163.5446 0.3186 -2.0895 -5.5702
0
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
28.2255 179.1525 229.7826 277.5098 290.7075 342.4464 371.8973 417.1127 488.5587 516.7718 590.3754 618.1500 687.6385 726.0432 744.9142 802.9208 818.8135 836.2088 870.9533 881.1462 922.1356 927.1681 974.9634 1001.3784 1041.9378 1110.8751 1121.1705 1132.7219 1177.9590 1196.1171 1212.2794 1216.8468 1249.5067 1259.9539 1295.5723 1347.0811 1368.5744 1382.0154 1409.3406 1418.6039 1424.8401 1467.7649 1485.4508 1493.1030 1519.6851 1542.5356 1583.9693 1621.5391 1636.4397 1656.9080 1677.7081 1687.7659 1738.6978 1877.6337 3199.2711 3213.3646 3222.4504 3229.7841 3252.0204 3265.1418 3277.4816 3309.6952 3343.1158 3432.0506 3439.0172 3925.4496
2.8186 3.8254 3.3312 5.4952 3.2772 2.7210 1.9870 3.3133 1.4006 2.9895 2.9049 6.2081 2.2747 2.7193 3.7706 3.6761 1.4430 2.7587 1.7811 2.9174 1.4667 1.4956 4.9980 4.2812 2.2171 1.5065 2.2469 1.9101 1.8052 1.9540 1.9775 2.2139 1.4751 1.1110 2.2544 1.4886 1.3902 1.7280 2.0458 2.0067 1.3309 1.3107 2.0233 1.9215 1.6150 1.6649 1.5798 2.4292 1.0922 1.0877 1.1312 3.2752 4.1787 6.7214 1.0597 1.0597 1.0673 1.1058 1.0897 1.1054 1.1057 1.0859 1.0943 1.0970 1.0984 1.0819
0.0013 0.0723 0.1036 0.2493 0.1632 0.1880 0.1619 0.3396 0.1970 0.4704 0.5965 1.3976 0.6337 0.8446 1.2327 1.3963 0.5700 1.1365 0.7960 1.3346 0.7348 0.7575 2.7992 2.5294 1.4181 1.0953 1.6641 1.4439 1.4758 1.6471 1.7123 1.9315 1.3569 1.0391 2.2295 1.5916 1.5342 1.9446 2.3942 2.3794 1.5919 1.6636 2.6304 2.5238 2.1975 2.3341 2.3353 3.7633 1.7233 1.7593 1.8760 5.4968 7.4428 13.9614 6.3906 6.4471 6.5298 6.7964 6.7902 6.9434 6.9979 7.0085 7.2059 7.6131 7.6542 9.8227
0.3862 0.9870 2.0245 0.8334 5.6602 2.7619 0.2057 3.1625 137.4524 3.6904 9.2014 2.4625 1.3755 9.1529 12.4306 7.4342 12.3707 3.5837 0.5353 15.3193 38.0613 3.8054 7.3179 7.7699 7.4744 4.5689 0.6741 7.2549 51.6232 6.7670 14.0041 13.0603 11.3255 0.8807 5.4998 1.4808 0.1156 6.8030 11.4676 15.4760 2.8517 4.6065 6.1725 23.6137 1.8554 27.0190 6.4153 34.0159 2.8169 0.5737 3.1210 38.0037 6.3624 26.5766 55.4255 98.3701 52.6222 45.4987 23.5387 67.3993 71.2959 10.9118 54.4188 6.5907 3.3895 122.8646
1.3215 3.4184 4.2226 0.9399 0.4584 4.0660 0.4346 0.3254 1.5873 2.3566 9.4616 10.2414 1.2769 3.9345 8.2181 1.5475 1.0513 2.4223 2.6011 4.5396 2.0251 5.2223 1.9751 14.1151 1.6690 8.1609 2.0255 3.7450 2.4419 2.7135 1.7272 2.3465 9.9274 0.9265 2.6474 7.6852 13.6512 5.2744 56.7180 3.8226 2.5322 8.1893 46.5851 7.9638 26.0808 24.1363 4.2028 22.2342 14.9866 3.2435 15.9892 27.3291 4.0457 240.6590 66.8132 79.7657 175.7762 80.2540 135.7216 108.8624 52.1161 44.7664 171.0137 81.4561 100.3020 142.3006
0.7499 0.7492 0.4817 0.6454 0.6830 0.7354 0.6104 0.7216 0.7481 0.4840 0.7494 0.1582 0.7063 0.5901 0.2822 0.5090 0.6665 0.6980 0.4531 0.2050 0.7483 0.7446 0.6913 0.1280 0.7262 0.6597 0.2786 0.7164 0.1172 0.0417 0.7499 0.6589 0.6369 0.7247 0.6497 0.5713 0.7297 0.5043 0.2243 0.4534 0.5493 0.6543 0.6638 0.6737 0.4070 0.6798 0.3059 0.5746 0.6202 0.7026 0.7382 0.2007 0.7083 0.2607 0.2263 0.2892 0.1626 0.7474 0.1779 0.5242 0.6803 0.7105 0.2204 0.3697 0.2529 0.2802
0.8571 0.8566 0.6502 0.7845 0.8117 0.8475 0.7580 0.8383 0.8559 0.6523 0.8568 0.2732 0.8279 0.7422 0.4402 0.6746 0.7999 0.8221 0.6236 0.3402 0.8560 0.8536 0.8175 0.2269 0.8414 0.7950 0.4358 0.8348 0.2098 0.0801 0.8570 0.7944 0.7782 0.8404 0.7876 0.7272 0.8437 0.6705 0.3664 0.6239 0.7091 0.7910 0.7979 0.8050 0.5786 0.8093 0.4685 0.7298 0.7656 0.8253 0.8494 0.3343 0.8292 0.4136 0.3691 0.4486 0.2797 0.8555 0.3021 0.6878 0.8097 0.8308 0.3612 0.5399 0.4037 0.4377
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
6 6 6 7 6 6 6 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 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
972.69372 2121.17630 2804.64741
0.99998 0.00674 -0.00120 -0.00674 0.99998 0.00100 0.00120 -0.00099 1.00000
1
0.08905 0.04083 0.03088
1.85541 0.85082 0.64348
40.61 257.76 330.61 399.27 418.26 492.70 535.08 600.13 702.93 743.52 849.42 889.38 989.36 1044.61 1071.77 1155.22 1178.09 1203.12 1253.11 1267.77 1326.75 1333.99 1402.75 1440.76 1499.12 1598.30 1613.11 1629.73 1694.82 1720.95 1744.20 1750.77 1797.76 1812.79 1864.04 1938.15 1969.07 1988.41 2027.73 2041.05 2050.03 2111.79 2137.23 2148.24 2186.49 2219.36 2278.98 2333.03 2354.47 2383.92 2413.85 2428.32 2501.60 2701.50 4603.04 4623.31 4636.39 4646.94 4678.93 4697.81 4715.56 4761.91 4810.00 4937.96 4947.98 5647.85
0.221001
0.229591
0.230536
0.186479
-494.255127
-494.246538
-494.245593
-494.289650
1.477679D-04
MUNgauss
RevisionA2.1
retrievium
09-Apr-2022
GDB_13 Smiles: C1C2CN1CC1=CNC=C1C=C2
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
23.094487 33.830971 12.264030
21.239877
12
|36.858105|
|12.311093|36.858105|
|9.037793|12.314407|36.858105|
|12.979656|8.871124|12.961479|53.358707|
|7.686646|5.919669|7.631226|18.026364|36.858105|
|5.945012|5.429219|6.275993|10.114454|12.468748|36.858105|
|4.211775|3.923800|4.462650|6.856719|7.620777|14.012953|36.858105|
|3.599076|3.540439|3.796384|5.424792|5.197219|8.566764|13.993267|53.358707|
|3.994156|4.140813|4.192404|5.704775|5.059851|8.458708|8.643174|19.205337|36.858105|
|5.561734|5.834684|5.815579|7.925177|6.945601|13.128116|8.480259|11.671890|13.916291|36.858105|
|5.989038|7.487457|6.059302|7.381662|5.336426|7.031309|5.134668|7.202708|7.799813|12.919685|36.858105|
|7.430198|12.680379|7.369284|8.131356|5.047652|5.560942|4.101391|5.418646|5.112905|7.404521|14.352553|36.858105|
|17.567552|8.533017|6.466945|11.993603|7.335863|6.330606|4.497529|5.303979|4.381071|6.125137|6.449564|7.164872|0.500000|
|17.551151|8.540487|6.800547|12.194851|5.853171|4.530486|3.474241|4.099832|3.262267|4.229401|4.544559|5.581917|0.299953|0.500000|
|8.547243|17.590609|8.555778|8.771246|4.541545|4.152642|3.211637|4.027418|3.401684|4.435818|5.624651|8.948830|0.177084|0.215413|0.500000|
|6.814021|8.563041|17.556862|12.192074|5.814149|4.745363|3.683515|4.334674|3.422999|4.394167|4.591435|5.548032|0.139753|0.167632|0.216327|0.500000|
|6.458301|8.515334|17.587567|11.978542|7.249576|7.046828|5.054753|5.922312|4.849561|6.720026|6.575719|7.049097|0.148431|0.139508|0.177077|0.300325|0.500000|
|7.134887|5.006587|5.660367|12.760698|17.540154|8.895921|6.636908|6.404978|4.484740|5.735727|4.592552|4.367265|0.211056|0.163147|0.111818|0.129029|0.144602|0.500000|
|5.642644|4.775833|6.557850|12.632016|17.539212|8.978136|7.181668|6.575844|4.427148|5.494602|4.315700|4.111619|0.145211|0.131338|0.108073|0.153949|0.183964|0.305004|0.500000|
|3.697468|3.375468|3.897620|6.111264|6.699274|8.655792|17.787753|12.222739|5.926778|5.771200|4.010616|3.396962|0.107771|0.087965|0.078918|0.093185|0.119376|0.174006|0.199428|0.500000|
|3.035504|2.992893|3.190665|4.523170|4.180722|5.994983|9.069264|26.126722|9.114629|5.996729|4.242572|3.331216|0.090597|0.072508|0.071345|0.076614|0.100232|0.108535|0.112109|0.212271|0.500000|
|3.432648|3.654078|3.578108|4.738356|3.968732|5.763955|5.920854|12.260838|17.794395|8.634447|6.844004|4.647692|0.103981|0.080021|0.086323|0.083591|0.113220|0.100383|0.098762|0.126840|0.212757|0.500000|
|4.569951|5.495230|4.573161|5.649598|4.164406|5.386169|4.423866|6.721082|7.521161|8.978784|17.662684|9.356348|0.138140|0.103119|0.127205|0.103206|0.137949|0.103803|0.097987|0.098434|0.114839|0.217709|0.500000|
|5.672049|8.674467|5.524911|6.231275|3.935914|4.262435|3.376669|4.596218|4.267157|5.480434|9.309015|17.683729|0.154130|0.131643|0.226155|0.128192|0.147471|0.098259|0.092841|0.079770|0.081059|0.114437|0.233743|0.500000|
494.065668
-2548.672035
932.301348
-69.578120
-1191.883138
697.407010
-494.476128
2.000831
405BFFFFFFFFFFF5
41A45FBFDFFFFFFC
413E52F9DC477118
411342C000000002
404FFFFFFFFFFFFF
41DDDD1798FFFFFF