Version2.6
2023-02-08T03:24:51Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
07-Jan-2023
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1CNCC2=C1C1NC1C=C2
RHF
6-31G(d)
(6D,7F)
CC1CNCC2=C1C1NC1C=C2
C1[X(C10H14N2)]
72
C1
208
CC1CNCC2=C1C1NC1C=C2
CC1CNCC2=C1C1NC1C=C2
CC1CNCC2=C1C3NC3C=C2
InChIKey=PCSLZXJMCNRYBJ-UHFFFAOYSA-N
InChI=1S/C10H14N2/c1-6-4-11-5-7-2-3-8-10(12-8)9(6)7/h2-3,6,8,10-12H,4-5H2,1H3
InChI=1/C10H14N2/c1-6-4-11-5-7-2-3-8-10(12-8)9(6)7/h2-3,6,8,10-12H,4-5H2,1H3
CC1CNCC2=C1C1NC1C=C2
C01[X(C10H14N2)]
72
C1
208
CC1CNCC2=C1C1NC1C=C2
C[C@H]1CNC[C@@H]2[C@@H]1[C@H]1N[C@H]1CC2
C[C@H]1CNC[C@H]2CC[C@@H]3N[C@@H]3[C@H]12
InChIKey=HNKXNDNIRFUTNZ-LRPJSKTQSA-N
InChI=1S/C10H18N2/c1-6-4-11-5-7-2-3-8-10(12-8)9(6)7/h6-12H,2-5H2,1H3/t6-,7+,8-,9+,10-/m0/s1
InChI=1/C10H18N2/c1-6-4-11-5-7-2-3-8-10(12-8)9(6)7/h6-12H,2-5H2,1H3/t6-,7+,8-,9+,10-/m0/s1
4.952658032554D+02
-2.586620839151D+03
715.3193022691
-495.6510122
1-A
1969.4616
44
164
208
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
-15.55372 -15.53640 -11.25973 -11.25772 -11.24434 -11.23976 -11.22852 -11.22592 -11.22509 -11.22349 -11.22290 -11.21661 -1.27788 -1.21907 -1.10071 -1.06865 -1.01081 -0.94346 -0.91279 -0.87031 -0.83182 -0.81986 -0.76035 -0.72074 -0.67553 -0.65533 -0.63396 -0.63151 -0.60695 -0.58329 -0.56808 -0.55823 -0.52710 -0.51579 -0.51179 -0.50444 -0.49898 -0.48771 -0.47416 -0.46133 -0.40983 -0.37198 -0.35069 -0.29546
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.12913 0.21686 0.22605 0.23993 0.25422 0.27026 0.28130 0.30073 0.30387 0.30666 0.32047 0.32771 0.33484 0.34349 0.35613 0.37081 0.38795 0.40168 0.40631 0.43659 0.44749 0.45369 0.46152 0.48201 0.48904 0.50246 0.53351 0.61150 0.64697 0.70033 0.72196 0.73653 0.75555 0.75950 0.77855 0.78242 0.79454 0.80581 0.81956 0.85451 0.86614 0.87371 0.89994 0.90225 0.91460 0.92258 0.93810 0.94419 0.95890 0.97900 0.98387 0.98742 1.01980 1.05710 1.06139 1.06656 1.09273 1.11525 1.12577 1.12825 1.14024 1.15183 1.16331 1.16777 1.18912 1.19225 1.20139 1.21341 1.22035 1.22832 1.23583 1.24711 1.25566 1.26539 1.27332 1.28608 1.33294 1.35216 1.38517 1.40850 1.43966 1.46079 1.49072 1.52234 1.53520 1.63272 1.65861 1.69965 1.74532 1.75736 1.78765 1.83855 1.84599 1.88415 1.90199 1.91676 1.93259 1.99375 2.02152 2.06381 2.09478 2.11124 2.11686 2.16355 2.17440 2.19049 2.21878 2.24172 2.25636 2.27013 2.30199 2.30708 2.31982 2.34990 2.35969 2.37965 2.42221 2.43295 2.45960 2.48977 2.52597 2.53426 2.54695 2.57916 2.58601 2.62445 2.63868 2.66677 2.69719 2.74080 2.75656 2.76362 2.80430 2.83005 2.85913 2.88151 2.91045 2.92723 2.96108 2.99197 3.01845 3.04543 3.06963 3.09944 3.12929 3.14523 3.20471 3.23069 3.24954 3.28596 3.51367 3.70019 4.30307 4.39683 4.56309 4.61567 4.63269 4.69918 4.75529 4.79323 4.86689 4.92790 5.04039 5.20359
11.55359
1.1155 1.8901 -0.9194
2.3795
|XX|YY|ZZ|XY|XZ|YZ|
-72.0925 -67.4083 -75.0040 -0.6559 -3.9436 1.1679
|XX|YY|ZZ|XY|XZ|YZ|
-0.5909 4.0933 -3.5024 -0.6559 -3.9436 1.1679
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
35.4178 3.4687 4.0722 19.0964 25.8976 -5.3498 -11.9589 -0.5782 3.5944 3.4421
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1535.3866 -861.0401 -215.8279 -21.6397 -20.4237 15.0304 14.9289 -12.2381 -3.4225 -406.5411 -295.0952 -179.3877 20.0116 6.3264 16.6485
0
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162.11570
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
72.0729 111.8001 170.9683 230.7861 286.7058 308.2135 325.8505 405.2347 408.5065 444.4921 465.9669 503.7553 554.0692 646.1177 670.9044 749.0068 764.6077 825.8767 853.9508 884.4221 896.5756 968.4937 984.2024 1015.5846 1041.5230 1049.4458 1060.9782 1089.2568 1107.6345 1115.4998 1164.9379 1194.0164 1241.4787 1247.7550 1249.5155 1281.8584 1291.6312 1309.1002 1320.0031 1334.5968 1354.0670 1391.5639 1450.2991 1459.5355 1486.2555 1510.9903 1537.8463 1559.2304 1562.9295 1586.3650 1618.4174 1633.5743 1641.7175 1646.0193 1650.5838 1656.5360 1821.8063 1885.8406 3147.2770 3184.6453 3199.6950 3207.4216 3234.1437 3247.6280 3260.6576 3276.0680 3315.6236 3338.1550 3348.6838 3369.0045 3742.9314 3762.5609
2.9642 3.0895 2.9527 1.6653 1.6207 2.9127 2.3340 3.4213 2.6151 2.9242 3.5470 4.8632 4.0573 3.0960 3.5419 2.8546 3.3895 2.0228 2.7643 2.5381 1.9878 2.3502 1.5841 1.8748 2.0962 1.6026 2.2255 2.4599 1.4541 1.6864 2.2526 2.1474 2.3032 1.5639 1.9289 1.8813 1.5317 1.1674 1.8080 1.3211 1.5455 1.8278 1.2499 1.3002 1.4482 1.3731 1.4457 1.4189 1.4502 1.6466 2.4617 1.0880 1.0834 1.1075 1.1867 1.0734 7.5575 7.0629 1.0839 1.0684 1.0464 1.0546 1.0969 1.1045 1.1029 1.1012 1.0892 1.0876 1.0893 1.0985 1.0750 1.0771
0.0091 0.0228 0.0509 0.0523 0.0785 0.1630 0.1460 0.3310 0.2571 0.3404 0.4538 0.7271 0.7339 0.7615 0.9393 0.9436 1.1675 0.8129 1.1877 1.1697 0.9414 1.2988 0.9041 1.1393 1.3397 1.0399 1.4760 1.7196 1.0511 1.2364 1.8011 1.8038 2.0915 1.4345 1.7744 1.8213 1.5056 1.1787 1.8561 1.3863 1.6695 2.0854 1.5489 1.6319 1.8849 1.8470 2.0145 2.0325 2.0872 2.4414 3.7989 1.7107 1.7205 1.7679 1.9049 1.7355 14.7786 14.7993 6.3255 6.3845 6.3121 6.3924 6.7597 6.8636 6.9086 6.9637 7.0549 7.1404 7.1971 7.3460 8.8729 8.9841
0.5441 1.2164 1.9389 0.5752 0.8688 3.2597 13.1414 1.6520 4.9139 3.4568 10.2711 0.1867 2.2865 3.7872 2.5635 19.8075 4.0269 22.0204 4.2458 82.6845 49.3431 30.2312 34.7139 12.0016 3.7042 36.2931 32.6055 10.3797 2.7045 3.9186 9.7312 1.1589 6.1430 8.3716 3.0466 4.9145 28.6337 15.1757 4.5378 12.7609 4.4507 19.0405 5.2376 6.7900 15.1968 3.4247 4.3470 7.3699 3.7423 5.9891 5.9924 0.3287 2.9466 2.9348 13.6447 1.9834 2.3467 0.1935 32.4213 52.4697 15.6682 78.0946 41.1364 26.4354 80.7637 43.8671 27.7239 17.0739 46.8307 36.9397 0.3533 1.1013
0.9410 1.7359 0.4663 0.8931 0.5809 1.4355 3.0288 1.1133 2.0480 4.3652 3.5984 3.8053 2.6735 1.5951 8.6720 2.7928 7.3701 3.0341 2.8560 7.8584 3.1025 9.7632 1.5887 0.7002 2.6034 3.5234 10.8610 7.0539 6.0997 1.1097 1.0748 6.4953 5.8323 6.0377 2.5036 4.6224 2.0439 11.3213 4.1776 4.3823 3.7007 15.9515 13.8228 5.0416 2.8466 10.9162 5.6257 7.1406 1.5332 5.6051 19.0673 16.7459 9.5838 12.9124 12.5487 10.9685 124.0852 14.4960 101.8770 107.3582 9.6410 194.3172 95.1827 57.1633 134.8626 48.6490 86.1340 74.0203 70.6181 201.3482 63.7915 166.3121
0.7457 0.7490 0.7499 0.5244 0.7107 0.6568 0.7448 0.4356 0.4361 0.2797 0.4717 0.7480 0.1712 0.4067 0.2182 0.2169 0.2691 0.7477 0.5286 0.6781 0.2764 0.7283 0.6066 0.2951 0.2888 0.6861 0.6138 0.2760 0.4652 0.6138 0.7072 0.6179 0.6852 0.5277 0.6150 0.5902 0.3755 0.7310 0.6097 0.6295 0.1665 0.1560 0.6567 0.7403 0.7373 0.5419 0.1415 0.5947 0.6880 0.2787 0.4272 0.7134 0.6673 0.6610 0.7475 0.6417 0.1939 0.7499 0.3236 0.2281 0.1892 0.0365 0.5619 0.4699 0.6181 0.6837 0.4583 0.6697 0.2525 0.1733 0.3092 0.3135
0.8543 0.8565 0.8571 0.6880 0.8309 0.7929 0.8537 0.6069 0.6073 0.4372 0.6410 0.8558 0.2924 0.5783 0.3582 0.3565 0.4240 0.8556 0.6916 0.8082 0.4331 0.8428 0.7551 0.4557 0.4482 0.8138 0.7607 0.4326 0.6350 0.7607 0.8285 0.7638 0.8132 0.6908 0.7616 0.7423 0.5460 0.8446 0.7575 0.7726 0.2854 0.2699 0.7928 0.8508 0.8488 0.7029 0.2480 0.7459 0.8151 0.4360 0.5987 0.8327 0.8005 0.7959 0.8555 0.7818 0.3248 0.8571 0.4890 0.3715 0.3182 0.0705 0.7195 0.6394 0.7639 0.8121 0.6285 0.8021 0.4031 0.2954 0.4723 0.4774
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
6 6 6 7 6 6 6 6 7 6 6 6 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 12.00000 12.00000 14.00307 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
1178.41674 2115.13815 2959.33082
0.99979 -0.02047 -0.00120 0.02046 0.99976 -0.00773 0.00136 0.00770 0.99997
1
0.07350 0.04095 0.02927
1.53150 0.85325 0.60985
103.70 160.86 245.99 332.05 412.51 443.45 468.83 583.04 587.75 639.53 670.42 724.79 797.18 929.62 965.28 1077.65 1100.10 1188.25 1228.64 1272.49 1289.97 1393.45 1416.05 1461.20 1498.52 1509.92 1526.51 1567.20 1593.64 1604.96 1676.09 1717.92 1786.21 1795.24 1797.77 1844.31 1858.37 1883.50 1899.19 1920.19 1948.20 2002.15 2086.66 2099.95 2138.39 2173.98 2212.62 2243.38 2248.71 2282.43 2328.54 2350.35 2362.07 2368.25 2374.82 2383.39 2621.17 2713.30 4528.23 4581.99 4603.65 4614.76 4653.21 4672.61 4691.36 4713.53 4770.44 4802.86 4818.01 4847.25 5385.24 5413.49
0.245439
0.254841
0.255786
0.210650
-495.405573
-495.396171
-495.395227
-495.440362
1.513835D-04
MUNgauss
RevisionA2.1
retrievium
08-Feb-2023
GDB_13 Smiles: CC1CNCC2=C1C1NC1C=C2
RHF
6-31G(d)
(6D,10F)
C1
162.115699
|X|Y|Z|
33.946708 25.571173 12.774552
22.299647
11
|36.858105|
|12.404613|36.858105|
|7.602115|12.412524|36.858105|
|4.995583|7.610071|13.154494|53.358707|
|4.492382|6.466818|7.968200|17.902185|36.858105|
|5.171754|7.618899|6.815365|10.413169|12.570725|36.858105|
|7.445226|12.519191|7.584801|9.131653|7.639196|14.278308|36.858105|
|6.220070|7.347381|4.885523|6.011705|4.938386|7.815315|12.774262|36.858105|
|4.397490|5.231621|3.888174|5.169522|4.247906|6.170819|7.573296|13.071376|53.358707|
|4.266455|4.822852|3.760102|4.983377|4.353896|6.648461|7.425736|12.806435|17.818900|36.858105|
|3.675787|4.323798|3.704975|5.255148|5.033308|7.752875|6.601571|7.519925|10.343225|12.872394|36.858105|
|3.904605|4.929709|4.482817|6.796644|7.493441|12.938741|7.781458|6.727125|8.406584|7.836482|14.377428|36.858105|
|17.539048|8.808941|7.170564|6.359516|3.968196|4.217308|5.466093|4.638798|4.889712|3.442466|3.063731|3.276604|0.500000|
|17.578558|8.682704|5.499147|5.553350|3.811681|4.550319|6.561391|6.628603|6.447679|4.456086|3.617910|3.650396|0.303385|0.500000|
|17.537105|8.750860|6.717981|6.325141|4.440542|5.122547|6.840324|5.851117|5.547920|4.272549|3.769772|3.996607|0.301449|0.301131|0.500000|
|8.928318|17.451849|8.887416|9.051963|5.431155|6.147054|8.975283|6.542912|7.189192|4.433631|3.904805|4.318652|0.210737|0.216319|0.173669|0.500000|
|6.773655|8.822066|17.553425|12.505860|5.729972|4.967327|5.541169|4.031841|4.568131|3.177094|3.086374|3.593499|0.208809|0.141460|0.159668|0.221164|0.500000|
|7.238276|8.846140|17.521725|12.606917|7.288285|6.253145|6.584737|4.510885|4.801522|3.603843|3.616361|4.360445|0.190216|0.143424|0.208694|0.174729|0.303328|0.500000|
|4.590366|7.027252|9.443407|25.871440|9.454338|6.750173|6.224085|4.313479|5.320953|3.579515|3.708926|4.655216|0.120612|0.108745|0.113932|0.197488|0.223225|0.182802|0.500000|
|3.642898|4.964054|5.755383|12.546210|17.545402|8.916012|5.837574|4.248513|5.390910|3.981344|4.774029|7.028526|0.091506|0.089357|0.099012|0.125891|0.128405|0.145432|0.234317|0.500000|
|4.162654|5.387909|6.858301|12.512317|17.496233|8.891087|6.095303|4.292130|4.958310|3.923755|4.612619|6.614107|0.103751|0.097542|0.120792|0.123330|0.142991|0.206709|0.183355|0.304453|0.500000|
|7.065304|6.837613|4.509000|5.255235|4.082210|5.703608|8.685139|17.716739|12.013847|8.687169|5.548430|4.984776|0.142199|0.241190|0.183490|0.171486|0.107559|0.118321|0.104262|0.097911|0.102418|0.500000|
|4.071348|4.503010|3.392668|4.418182|3.501850|4.710292|5.758404|9.355177|25.891406|9.371873|5.766774|4.713692|0.094244|0.127738|0.104360|0.129685|0.083934|0.086374|0.093065|0.091360|0.085629|0.231961|0.500000|
|3.820903|4.012108|3.209020|4.184244|3.547623|4.932032|5.483274|8.631219|11.973157|17.677588|8.726996|5.721921|0.087278|0.114064|0.108529|0.103477|0.077302|0.087239|0.083250|0.091013|0.091991|0.213823|0.231152|0.500000|
|3.071621|3.478553|3.089042|4.406936|4.108224|5.538181|4.812749|5.433888|7.876342|8.624433|17.704749|9.091309|0.072998|0.084686|0.088192|0.088937|0.073374|0.084900|0.086847|0.112382|0.108644|0.122578|0.134209|0.210579|0.500000|
|3.311723|4.069301|3.985899|6.332917|7.123771|8.714340|5.626945|4.875132|6.346759|5.573250|9.143101|17.681487|0.079856|0.085451|0.094867|0.100865|0.090902|0.109854|0.119846|0.208512|0.189705|0.108259|0.104985|0.125079|0.218625|0.500000|
495.265627
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950.689457
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715.319354
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2.000778
4061800000000002
4199B742ABFFFFF9
4132B3D365D17458
4107EB0000000001
3BD79CA100000000
41B49D7F6A000002