Version2.5
2022-11-23T14:13:55Z
10.1021/ja902302h
Gaussian16
RevisionB.01
SBUNGAY
14-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1=NN=CC(CC=NN1)C=C
RHF
6-31G(d)
(6D,7F)
CC1=NN=CC(CC=NN1)C=C
C1[X(C8H12N4)]
66
C1
204
CC1=NN=CC(CC=NN1)C=C
C=CC1CC=NNC(=NN=C1)C
CC1=NN=CC(CC=NN1)C=C
InChIKey=RTYAFEJZRLXBIG-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-3-8-4-5-9-11-7(2)12-10-6-8/h3,5-6,8H,1,4H2,2H3,(H,11,12)
InChI=1/C8H12N4/c1-3-8-4-5-9-11-7(2)12-10-6-8/h3,5-6,8H,1,4H2,2H3,(H,11,12)/f/h11H
CC1=NN=CC(CC=NN1)C=C
C01[X(C8H12N4)]
66
C1
204
CC1=NN=CC(CC=NN1)C=C
CC[C@H]1CNN[C@@H](NNCC1)C
CC[C@@H]1CCNN[C@@H](C)NNC1
InChIKey=OFJDIZIMKSOOPE-HTQZYQBOSA-N
InChI=1S/C8H20N4/c1-3-8-4-5-9-11-7(2)12-10-6-8/h7-12H,3-6H2,1-2H3/t7-,8-/m1/s1
InChI=1/C8H20N4/c1-3-8-4-5-9-11-7(2)12-10-6-8/h7-12H,3-6H2,1-2H3/t7-,8-/m1/s1
5.269791106994D+02
-2.642917386220D+03
705.6029468273
-527.5773823
1-A
2022.7601
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|
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12.88775
1.6971 1.3955 -3.6598
4.2687
|XX|YY|ZZ|XY|XZ|YZ|
-63.8133 -72.0227 -76.7260 3.8751 7.2794 4.5119
|XX|YY|ZZ|XY|XZ|YZ|
7.0407 -1.1688 -5.8720 3.8751 7.2794 4.5119
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-13.6971 8.2885 -14.6677 9.6941 -7.6047 -10.8312 1.5108 5.6717 -7.8390 3.9720
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
56.3041 81.8158 116.2302 163.9909 187.3963 211.7417 258.0034 258.9149 311.8280 368.9256 390.4930 448.0650 501.3400 523.1947 585.8380 606.7048 693.2103 722.1671 743.0462 778.8138 843.6812 951.8711 957.4727 998.5910 1025.6439 1039.8565 1063.8187 1068.0468 1085.6819 1141.4650 1151.2857 1168.3895 1191.5579 1203.0915 1221.1869 1266.9783 1344.0449 1369.6511 1423.0989 1430.2227 1453.6294 1497.4038 1526.7495 1538.2251 1560.9866 1601.6259 1625.0935 1625.9195 1629.8227 1683.2698 1879.1256 1904.1181 1946.0240 1958.4014 3206.5429 3230.7284 3260.2950 3271.6492 3302.0874 3310.5592 3320.4566 3335.0116 3340.1244 3345.4541 3411.2407 3812.5645
3.1102 3.0646 2.9967 1.2164 4.4233 2.7787 3.0046 2.9202 2.6198 3.2098 3.3165 3.3626 3.6590 3.6631 3.4104 2.6097 4.1761 2.0220 1.8958 5.0565 2.9376 1.9394 2.4926 3.3352 2.0348 2.0848 1.5301 1.6231 1.3235 1.2687 2.2872 1.5288 3.1288 2.9344 2.5164 2.2236 1.4057 3.0805 1.2806 1.3011 1.2523 1.2900 1.2616 1.3233 1.3138 1.2173 1.0695 1.0890 1.0453 1.2928 4.2926 8.7666 9.4446 7.0343 1.0425 1.0615 1.1008 1.1030 1.0862 1.0867 1.0843 1.0736 1.0914 1.0994 1.1167 1.0762
0.0058 0.0121 0.0239 0.0193 0.0915 0.0734 0.1178 0.1153 0.1501 0.2574 0.2980 0.3977 0.5418 0.5908 0.6896 0.5660 1.1823 0.6213 0.6167 1.8070 1.2320 1.0353 1.3463 1.9595 1.2612 1.3282 1.0203 1.0909 0.9191 0.9740 1.7862 1.2297 2.6173 2.5025 2.2110 2.1030 1.4962 3.4048 1.5280 1.5681 1.5591 1.7043 1.7326 1.8448 1.8862 1.8398 1.6641 1.6962 1.6360 2.1582 8.9306 18.7271 21.0731 15.8955 6.3155 6.5281 6.8943 6.9563 6.9780 7.0173 7.0434 7.0354 7.1736 7.2497 7.6564 9.2164
1.0191 0.2519 1.5134 2.1189 9.9582 2.8033 2.7646 0.8955 1.0031 0.4459 6.1597 3.3947 3.6293 7.7022 1.8672 21.2565 4.6155 19.9072 51.9476 6.5920 59.4068 13.8506 19.9913 40.7707 16.0779 8.8788 6.9178 5.5171 43.5539 6.7259 20.7500 4.6025 12.2926 4.0159 1.5743 3.4537 7.7045 89.3120 3.1637 1.5887 3.0169 11.0677 4.1023 6.8297 6.6908 3.6954 15.3922 0.9328 6.6447 72.5098 7.8651 55.6477 39.5045 120.2300 30.4806 25.8249 23.3364 7.9361 0.7841 3.6140 44.5471 9.1986 36.8240 7.2439 21.0691 27.9478
3.4105 7.6136 1.6982 0.0648 3.8809 1.3099 2.9636 1.9306 5.6364 1.9426 1.1693 3.4324 5.1149 0.4874 4.9106 1.4794 6.3514 5.3286 4.3086 7.9833 5.6652 1.0800 7.0635 0.9350 0.5792 2.1315 2.5192 1.9023 1.2775 1.1659 8.3125 1.7379 0.7047 5.9400 4.1605 3.4603 1.4627 5.8236 1.7954 6.8581 28.0977 3.6974 7.2895 10.0533 3.4475 14.2556 13.6840 18.1704 15.7344 3.1703 43.4079 15.5287 54.4398 14.5768 148.1023 68.9439 81.2363 47.1811 54.5543 28.0030 54.2440 116.7956 154.6840 62.0131 90.6384 100.5085
0.7380 0.7420 0.6423 0.7495 0.6965 0.3502 0.6926 0.7242 0.7349 0.7444 0.4160 0.2897 0.0576 0.4697 0.6740 0.3286 0.3926 0.7436 0.7229 0.0194 0.1410 0.4826 0.1231 0.7424 0.7292 0.2815 0.7453 0.3924 0.7422 0.7318 0.7461 0.7494 0.5034 0.5457 0.4969 0.7182 0.4143 0.4768 0.6126 0.5721 0.4178 0.6735 0.7127 0.7068 0.6081 0.3556 0.6642 0.7421 0.7181 0.6517 0.2185 0.5009 0.1537 0.2914 0.0659 0.1532 0.7498 0.7381 0.2687 0.2643 0.6008 0.1426 0.2544 0.6181 0.5678 0.2776
0.8492 0.8519 0.7822 0.8568 0.8211 0.5188 0.8184 0.8400 0.8472 0.8535 0.5876 0.4493 0.1089 0.6391 0.8052 0.4947 0.5639 0.8529 0.8391 0.0381 0.2472 0.6510 0.2192 0.8521 0.8434 0.4393 0.8541 0.5636 0.8521 0.8452 0.8546 0.8568 0.6697 0.7061 0.6639 0.8360 0.5859 0.6458 0.7598 0.7278 0.5894 0.8049 0.8323 0.8282 0.7563 0.5246 0.7982 0.8520 0.8359 0.7891 0.3586 0.6675 0.2664 0.4512 0.1236 0.2657 0.8570 0.8493 0.4236 0.4181 0.7506 0.2496 0.4057 0.7640 0.7243 0.4345
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 7 7 6 6 6 6 7 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 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
1294.15915 2420.16857 2831.16861
0.99967 0.02210 0.01331 -0.02297 0.99739 0.06840 -0.01176 -0.06868 0.99757
1
0.06693 0.03579 0.03059
1.39453 0.74571 0.63745
81.01 117.71 167.23 235.95 269.62 304.65 371.21 372.52 448.65 530.80 561.83 644.67 721.32 752.76 842.89 872.91 997.37 1039.04 1069.08 1120.54 1213.87 1369.53 1377.59 1436.75 1475.67 1496.12 1530.60 1536.68 1562.05 1642.31 1656.44 1681.05 1714.39 1730.98 1757.02 1822.90 1933.78 1970.62 2047.52 2057.77 2091.45 2154.43 2196.65 2213.16 2245.91 2304.38 2338.15 2339.34 2344.95 2421.85 2703.64 2739.60 2799.89 2817.70 4613.50 4648.30 4690.84 4707.17 4750.97 4763.16 4777.40 4798.34 4805.69 4813.36 4908.01 5485.43
0.215357
0.226198
0.227142
0.178533
-527.362025
-527.351185
-527.350240
-527.398849
1.630354D-04
MUNgauss
RevisionA2.1
retrievium
23-Nov-2022
GDB_13 Smiles: CC1=NN=CC(CC=NN1)C=C
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
34.277818 23.205997 17.585221
24.094638
9
|36.858105|
|12.614203|36.858105|
|8.078053|15.157623|53.358707|
|5.168728|8.116856|18.850473|53.358707|
|4.333792|6.338248|11.361938|20.696718|36.858105|
|4.367670|6.073656|9.018329|10.470100|12.627247|36.858105|
|3.992759|5.427104|7.025298|7.816138|7.631212|12.168581|36.858105|
|4.182236|5.943870|7.330964|8.247672|6.864164|7.329599|12.603769|36.858105|
|5.136602|7.709237|8.443907|8.525871|6.005332|5.898719|7.611229|15.199204|53.358707|
|7.931101|13.632201|10.695342|8.629699|5.765048|6.102329|6.738575|8.438562|18.346079|53.358707|
|3.369807|4.181458|6.239338|7.126139|7.624345|12.633520|7.556164|4.967249|5.562509|5.644540|36.858105|
|3.175000|3.685678|5.391799|5.688036|5.331034|7.603665|5.379602|3.857035|4.579245|4.860849|14.456700|36.858105|
|17.660125|8.956015|10.647336|6.815577|4.146331|4.062854|3.532347|3.587069|5.695728|7.820927|3.261511|3.141975|0.500000|
|17.528986|8.876829|8.520292|6.045990|3.716870|3.649393|3.503405|3.847724|6.639083|9.436423|2.890284|2.711971|0.300419|0.500000|
|17.549688|8.864585|8.335801|5.931893|3.931889|4.267779|4.004433|4.016188|6.454658|9.947129|3.370710|3.260648|0.299245|0.301301|0.500000|
|3.504198|4.740944|8.009635|13.140757|17.634797|8.581116|6.396256|5.938816|6.826009|6.148947|6.980157|4.873351|0.094304|0.086579|0.089421|0.500000|
|5.351327|7.349615|10.359092|9.778978|8.987262|17.647866|8.793340|6.195644|7.694393|9.290068|8.997122|7.306663|0.137715|0.117228|0.149238|0.172975|0.500000|
|3.256855|4.181502|5.618191|6.462707|6.347137|8.747803|17.570517|9.050747|7.844971|6.714127|7.465929|5.237894|0.082135|0.081308|0.090736|0.169385|0.176129|0.500000|
|4.062811|5.172935|6.275835|6.359448|5.645636|8.782097|17.570301|8.937287|9.065024|9.093355|6.428381|5.210203|0.098202|0.098659|0.119368|0.132691|0.227412|0.303527|0.500000|
|3.442329|4.581574|5.921151|6.910358|5.710575|5.658765|8.592532|17.661406|13.260371|8.042322|4.329068|3.401038|0.084216|0.090636|0.091580|0.153578|0.131491|0.228120|0.181727|0.500000|
|7.955908|9.667773|8.206241|6.663249|4.438801|4.663488|5.212392|6.432105|13.354627|25.978129|3.445105|3.072279|0.153613|0.220924|0.213427|0.101961|0.144028|0.113648|0.151252|0.138636|0.500000|
|2.917578|3.588886|5.367556|6.412215|6.790260|8.635717|6.643826|4.687981|5.134607|4.936097|17.640074|9.193863|0.078500|0.071399|0.080169|0.202828|0.172730|0.211347|0.151479|0.120948|0.085254|0.500000|
|2.700391|3.055093|4.454129|4.730460|4.285075|5.464505|4.314759|3.260033|3.897655|4.056409|9.107553|17.716664|0.074823|0.065426|0.076926|0.115110|0.143801|0.122805|0.116779|0.082589|0.072897|0.219748|0.500000|
|3.505475|3.930710|5.631287|5.554493|4.889360|6.887044|4.964671|3.680626|4.543141|5.065924|9.086773|17.696036|0.097271|0.081489|0.102472|0.118480|0.218636|0.126566|0.141532|0.088395|0.089700|0.173758|0.289135|0.500000|
526.979736
-2642.918931
955.033241
-72.274428
-1233.180381
705.602998
-527.577384
2.001134
400FFFFFFFFFFFF3
41ABA00957FFFFFE
4144174C9D1745D0
409CD7FFFFFFFFFE
C000000000000000
416C5A183FFFFFFF