Version2.5
2022-11-03T03:44:26Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
24-Oct-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1(CCN1N1N=CC=N1)C=C
RHF
6-31G(d)
(6D,7F)
CC1(CCN1N1N=CC=N1)C=C
C1[X(C8H12N4)]
66
C1
204
CC1(CCN1N1N=CC=N1)C=C
C=CC1(C)CCN1n1nccn1
CC1(CCN1n2nccn2)C=C
InChIKey=XCBSINJUXSJTCJ-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-3-8(2)4-7-11(8)12-9-5-6-10-12/h3,5-6H,1,4,7H2,2H3
InChI=1/C8H12N4/c1-3-8(2)4-7-11(8)12-9-5-6-10-12/h3,5-6H,1,4,7H2,2H3
CC1(CCN1N1N=CC=N1)C=C
C01[X(C8H12N4)]
66
C1
204
CC1(CCN1N1N=CC=N1)C=C
CC[C@]1(C)CC[N@@]1N1NCCN1
CC[C@]1(C)CCN1N2NCCN2
InChIKey=HSIPPNKGXYQVFS-MRVPVSSYSA-N
InChI=1S/C8H18N4/c1-3-8(2)4-7-11(8)12-9-5-6-10-12/h9-10H,3-7H2,1-2H3/t8-/m1/s1
InChI=1/C8H18N4/c1-3-8(2)4-7-11(8)12-9-5-6-10-12/h9-10H,3-7H2,1-2H3/t8-/m1/s1
5.270356584329D+02
-2.687380003904D+03
727.8933766322
-527.5900016
1-A
1892.0290
44
160
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|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|
0.15902 0.17972 0.23500 0.24183 0.25849 0.26735 0.28165 0.29237 0.30015 0.30541 0.31103 0.32509 0.33374 0.33998 0.36132 0.36900 0.38193 0.40023 0.41900 0.43334 0.44756 0.46636 0.49487 0.50133 0.53181 0.54737 0.62747 0.66274 0.68561 0.70712 0.72318 0.74366 0.76272 0.77004 0.79345 0.79401 0.81575 0.82358 0.84608 0.85338 0.87050 0.89710 0.90467 0.90657 0.91623 0.93726 0.94716 0.94912 0.96649 0.98882 1.00566 1.03674 1.05733 1.06680 1.08114 1.09259 1.10234 1.10507 1.11647 1.12916 1.14418 1.15032 1.16016 1.17574 1.20140 1.21044 1.21421 1.22022 1.22590 1.25207 1.26172 1.28251 1.30460 1.33389 1.34847 1.38219 1.42811 1.44821 1.48405 1.49495 1.54542 1.58418 1.64354 1.65353 1.66569 1.68422 1.73599 1.73856 1.75793 1.79317 1.81778 1.84060 1.86065 1.91940 1.97455 2.01687 2.05149 2.06593 2.10794 2.13565 2.15440 2.18076 2.18147 2.24404 2.27447 2.28366 2.33185 2.33713 2.37849 2.38426 2.41390 2.42582 2.43924 2.46018 2.50305 2.51254 2.53998 2.54861 2.56559 2.59325 2.61267 2.64637 2.66589 2.68118 2.69167 2.71978 2.72673 2.75297 2.78795 2.79480 2.84840 2.88056 2.91009 2.94979 2.96127 3.01136 3.03039 3.08289 3.08848 3.16183 3.18516 3.23691 3.26639 3.30518 3.35273 3.40954 3.53878 3.61641 4.09023 4.34523 4.45929 4.53101 4.57305 4.61984 4.69764 4.74774 4.78086 4.80972 4.96500 5.27083
13.73348
0.6673 0.4076 -1.1788
1.4145
|XX|YY|ZZ|XY|XZ|YZ|
-63.2303 -68.8242 -73.9204 -3.6501 1.3554 1.7556
|XX|YY|ZZ|XY|XZ|YZ|
5.4280 -0.1659 -5.2621 -3.6501 1.3554 1.7556
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-40.5949 -3.3272 -6.0048 5.3377 8.1917 2.3450 1.5152 3.7040 -3.1328 0.9890
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1390.2322 -603.2478 -430.8924 -57.8150 5.3665 11.0978 -4.4572 2.7794 -0.3774 -355.6674 -307.5346 -170.6506 3.3476 3.4837 -10.6465
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|
52.2328 82.0941 104.2419 148.8011 207.7988 269.0244 299.4530 320.0754 325.2840 405.1475 450.7305 498.5747 534.9963 642.4310 723.9084 743.5360 746.6576 782.7785 844.7880 939.2090 977.2675 1003.7171 1006.8816 1024.2693 1059.1016 1066.8279 1087.2740 1098.2988 1115.9699 1150.0894 1151.9213 1163.9542 1226.5198 1254.3597 1266.7746 1318.1928 1320.3127 1343.0393 1403.8233 1428.5424 1437.5285 1460.9667 1469.1984 1498.1332 1557.5280 1564.0191 1595.4256 1609.6942 1637.5123 1639.3886 1647.4220 1683.1832 1701.0539 1875.2933 3215.0914 3244.1115 3263.1005 3281.1237 3291.1957 3296.9360 3318.2666 3339.6550 3359.0652 3420.5423 3455.7728 3473.6993
5.0272 3.8141 3.1641 2.9032 2.5812 1.5013 2.9042 1.5692 2.4855 2.7366 2.9432 3.0779 3.2122 4.3466 3.2322 4.9428 3.5764 2.6162 1.3227 1.1866 1.8134 1.8809 1.3991 2.5885 3.4691 7.0268 1.3217 1.6582 2.2311 1.4696 1.2801 1.8388 4.0670 2.4950 1.3558 1.7002 1.3473 1.6445 2.0631 2.0420 6.9092 1.7842 1.3370 4.3655 4.0321 1.3573 1.1985 5.0939 1.0762 1.0848 1.0715 1.1284 4.9905 4.2219 1.0373 1.0567 1.0627 1.1029 1.1116 1.1031 1.1099 1.0632 1.0915 1.1157 1.0949 1.1058
0.0081 0.0151 0.0203 0.0379 0.0657 0.0640 0.1534 0.0947 0.1550 0.2647 0.3523 0.4508 0.5417 1.0569 0.9980 1.6100 1.1747 0.9445 0.5562 0.6167 1.0204 1.1165 0.8357 1.6000 2.2926 4.7119 0.9206 1.1785 1.6371 1.1453 1.0008 1.4677 3.6047 2.3129 1.2818 1.7406 1.3838 1.7477 2.3955 2.4552 8.4123 2.2437 1.7003 5.7727 5.7631 1.9562 1.7973 7.7766 1.7003 1.7178 1.7134 1.8835 8.5081 8.7477 6.3174 6.5521 6.6669 6.9956 7.0941 7.0647 7.2002 6.9865 7.2564 7.6908 7.7042 7.8614
0.4118 0.1130 1.1730 1.0381 1.9710 2.9058 5.5841 1.0878 4.5162 1.9730 3.0252 0.8978 7.8528 6.7642 3.5922 4.9538 0.0488 1.0427 2.0978 36.9041 5.7371 1.8054 0.0346 0.3831 18.2349 23.4023 48.6081 3.2602 25.9992 16.2345 4.0541 16.1006 21.4023 37.9330 1.5930 4.4028 14.8628 9.2844 18.6482 7.7415 3.3414 6.7809 1.1823 14.8942 15.1901 9.3394 8.8532 3.4024 3.9113 1.1737 2.5080 3.0542 2.8759 2.2687 19.5135 44.0236 32.4551 29.7914 28.4113 18.3113 41.2465 13.3920 5.0604 16.4060 3.3462 6.0649
6.1977 6.0379 1.4372 1.4970 1.1809 0.4342 2.2754 1.3797 2.4666 2.0096 2.0320 8.7174 3.0239 2.8030 10.8037 2.1293 0.5263 2.9743 1.2348 0.4665 10.4623 12.2862 1.4794 1.0090 18.0988 6.8749 1.7679 9.5661 3.7962 8.6367 3.4646 5.5098 4.9025 4.6981 4.8672 7.5457 2.8448 6.3714 3.2956 2.3952 14.4510 4.4237 18.2544 1.6186 44.8775 4.9661 24.1491 8.7058 16.5455 4.1598 10.2713 6.8188 0.6748 44.7975 82.6731 76.0541 123.6405 53.1606 71.9564 51.6935 79.2891 49.5736 95.0087 58.5210 73.5072 134.0919
0.7299 0.7308 0.7393 0.7355 0.7487 0.6264 0.7366 0.7110 0.5495 0.6170 0.5599 0.3638 0.3748 0.3004 0.0452 0.4176 0.4896 0.7017 0.7214 0.7420 0.7468 0.7472 0.7496 0.5687 0.1794 0.6858 0.7310 0.3768 0.5296 0.4471 0.6437 0.1530 0.7472 0.3176 0.5708 0.4434 0.7239 0.6184 0.2851 0.1670 0.2698 0.2813 0.4238 0.5007 0.4782 0.4824 0.4600 0.0987 0.7496 0.3756 0.6901 0.7484 0.7072 0.1899 0.0297 0.2278 0.0836 0.7500 0.5077 0.6668 0.7484 0.2887 0.1563 0.7153 0.7413 0.1312
0.8439 0.8445 0.8501 0.8476 0.8563 0.7703 0.8483 0.8311 0.7092 0.7631 0.7179 0.5335 0.5452 0.4620 0.0866 0.5892 0.6573 0.8247 0.8381 0.8519 0.8550 0.8553 0.8569 0.7250 0.3042 0.8136 0.8446 0.5474 0.6925 0.6180 0.7833 0.2653 0.8553 0.4821 0.7268 0.6144 0.8398 0.7642 0.4437 0.2863 0.4250 0.4391 0.5953 0.6673 0.6470 0.6508 0.6301 0.1796 0.8569 0.5461 0.8166 0.8561 0.8285 0.3192 0.0578 0.3710 0.1544 0.8571 0.6735 0.8001 0.8561 0.4480 0.2703 0.8340 0.8515 0.2320
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 6 7 7 7 6 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 14.00307 12.00000 12.00000 14.00307 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
1139.97254 2333.87368 2604.82750
0.99992 -0.00470 0.01175 0.00434 0.99951 0.03103 -0.01189 -0.03098 0.99945
1
0.07598 0.03711 0.03325
1.58314 0.77328 0.69284
75.15 118.12 149.98 214.09 298.98 387.07 430.85 460.52 468.01 582.92 648.50 717.34 769.74 924.31 1041.54 1069.78 1074.27 1126.24 1215.46 1351.31 1406.07 1444.12 1448.68 1473.70 1523.81 1534.93 1564.34 1580.21 1605.63 1654.72 1657.36 1674.67 1764.69 1804.74 1822.61 1896.59 1899.64 1932.33 2019.79 2055.35 2068.28 2102.01 2113.85 2155.48 2240.94 2250.27 2295.46 2315.99 2356.01 2358.71 2370.27 2421.73 2447.44 2698.13 4625.80 4667.55 4694.87 4720.81 4735.30 4743.56 4774.25 4805.02 4832.95 4921.40 4972.09 4997.88
0.216252
0.226367
0.227311
0.179956
-527.373749
-527.363634
-527.362690
-527.410045
1.588294D-04
MUNgauss
RevisionA2.1
retrievium
03-Nov-2022
GDB_13 Smiles: CC1(CCN1N1N=CC=N1)C=C
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
21.641952 17.806141 33.265486
23.403818
9
|36.858105|
|12.537065|36.858105|
|7.278680|12.237787|36.858105|
|5.601052|8.873332|12.381999|36.858105|
|7.651148|12.778157|9.164524|13.039378|53.358707|
|5.642261|7.627970|5.699827|7.780253|19.000728|53.358707|
|4.370978|5.895793|4.843125|6.474789|10.994336|19.840481|53.358707|
|3.661076|4.421154|3.684624|4.589017|7.652235|12.555421|19.825878|36.858105|
|3.881111|4.348507|3.530333|4.282780|7.693142|12.568204|11.840256|13.610012|36.858105|
|5.029305|5.626921|4.342439|5.353615|11.185330|19.898281|11.753812|8.693038|14.558974|53.358707|
|7.474102|12.612807|7.522282|6.318058|10.320197|8.856878|8.367903|4.613919|4.198161|6.640650|36.858105|
|6.472255|7.537343|5.183994|4.414786|7.112247|6.678729|6.470818|3.973156|3.717911|5.618762|14.447702|36.858105|
|17.554857|8.812138|6.396006|4.640310|7.567619|5.955773|4.974865|3.121207|3.229833|5.365166|6.737117|6.548647|0.500000|
|17.568128|8.823238|5.389435|4.707874|9.135581|7.838038|6.048879|3.893910|4.299853|7.595110|6.756993|6.526233|0.300250|0.500000|
|17.597020|8.903686|6.849319|5.527830|9.816972|7.093861|5.398340|3.387832|3.686647|6.617098|5.494155|4.750173|0.300431|0.302002|0.500000|
|5.701743|8.457336|17.623487|8.499593|8.681853|6.318265|5.851256|3.331053|3.101011|4.936672|7.178612|5.155653|0.154539|0.124251|0.144232|0.500000|
|7.083930|8.627494|17.608178|8.659224|9.745415|6.450034|5.394654|3.184321|3.164165|5.311932|5.564601|4.304240|0.179460|0.142338|0.213312|0.299475|0.500000|
|4.568415|6.980259|8.655375|17.588643|12.140265|9.761841|9.863747|4.903630|4.221287|6.650230|6.195103|4.347763|0.110035|0.111894|0.120369|0.214132|0.172818|0.500000|
|4.685931|6.246489|8.428203|17.596132|12.118653|8.581451|7.208145|4.077887|3.940830|6.622344|4.671975|3.552670|0.110078|0.112007|0.138006|0.177739|0.212228|0.299051|0.500000|
|3.090041|3.662233|3.172270|3.833689|5.943069|8.393720|12.474105|17.820078|8.483199|8.012868|3.963142|3.543077|0.075485|0.090587|0.079617|0.082226|0.076882|0.117060|0.096344|0.500000|
|3.364668|3.581369|2.981899|3.490829|5.981070|8.401320|8.017310|8.485751|17.824212|12.473269|3.469989|3.202873|0.079576|0.104719|0.090249|0.073789|0.076152|0.095136|0.091757|0.189979|0.500000|
|5.431063|8.680079|6.949493|6.591136|9.384697|8.650007|9.410925|4.918097|4.148328|6.247045|17.691343|9.237633|0.138131|0.138782|0.122617|0.200095|0.139833|0.206075|0.133490|0.120448|0.094439|0.500000|
|7.211722|6.752676|4.664245|3.912587|6.439716|5.980510|5.518016|3.538580|3.489698|5.351337|9.039993|17.730380|0.219061|0.216849|0.142536|0.125068|0.114376|0.103146|0.090489|0.087520|0.085674|0.173884|0.500000|
|4.740311|5.448379|4.228197|3.766265|5.761838|5.686673|5.891164|3.744187|3.398456|4.882444|9.139907|17.713940|0.134709|0.134333|0.104065|0.121630|0.099189|0.107437|0.086275|0.096636|0.082678|0.222166|0.289989|0.500000|
527.035683
-2687.380162
977.183215
-72.322167
-1255.483430
727.893429
-527.590001
2.001052
4030000000000002
41A8FF52B0000001
41422E0D9745D175
40B0200000000000
C042000000000000
416BAE3600000000