Version2.5
2022-09-09T05:43:04Z
10.1021/ja902302h
Gaussian16
RevisionB.01
SBUNGAY
04-Jun-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1C2NN=CC2C=CC1=NN
RHF
6-31G(d)
(6D,7F)
CC1C2NN=CC2C=CC1=NN
C1[X(C8H12N4)]
66
C1
204
CC1C2NN=CC2C=CC1=NN
NN=C1C=CC2C(C1C)NN=C2
CC1C2NN=CC2C=CC1=NN
InChIKey=YXIFBOGNAIMGKO-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-5-7(11-9)3-2-6-4-10-12-8(5)6/h2-6,8,12H,9H2,1H3
InChI=1/C8H12N4/c1-5-7(11-9)3-2-6-4-10-12-8(5)6/h2-6,8,12H,9H2,1H3
CC1C2NN=CC2C=CC1=NN
C01[X(C8H12N4)]
66
C1
204
CC1C2NN=CC2C=CC1=NN
NN[C@H]1CC[C@H]2[C@H]([C@@H]1C)NNC2
C[C@@H]1[C@H](CC[C@@H]2CNN[C@@H]12)NN
InChIKey=PONFHZZRNYNLIO-NGJRWZKOSA-N
InChI=1S/C8H18N4/c1-5-7(11-9)3-2-6-4-10-12-8(5)6/h5-8,10-12H,2-4,9H2,1H3/t5-,6-,7+,8+/m1/s1
InChI=1/C8H18N4/c1-5-7(11-9)3-2-6-4-10-12-8(5)6/h5-8,10-12H,2-4,9H2,1H3/t5-,6-,7+,8+/m1/s1
5.270488488040D+02
-2.650967104863D+03
709.3784736055
-527.6093102
1-A
2110.3286
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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11.89427
-1.5799 -2.1998 -0.5754
2.7689
|XX|YY|ZZ|XY|XZ|YZ|
-77.5629 -64.6879 -73.3270 -0.2342 6.1126 3.1223
|XX|YY|ZZ|XY|XZ|YZ|
-5.7036 7.1714 -1.4678 -0.2342 6.1126 3.1223
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-86.1122 -7.8086 -2.3350 9.0135 -20.0489 -16.1960 0.4655 2.4912 4.1224 0.4964
|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|
47.0335 171.3293 202.0967 224.5647 234.0679 269.8332 283.2030 319.2078 377.1312 396.1473 436.4272 484.0498 543.6196 591.1785 652.4014 665.8058 705.9925 782.8911 839.0123 880.8496 902.9557 917.3570 959.7225 1000.1607 1010.1557 1070.3735 1116.4146 1127.8997 1156.4408 1178.5532 1189.5851 1211.3477 1227.5443 1235.6438 1286.6008 1308.1075 1343.7178 1373.9191 1406.7103 1421.8539 1463.8750 1474.5006 1488.7560 1519.7600 1557.0212 1563.6554 1575.8916 1601.2519 1640.0718 1648.6139 1829.5931 1860.6549 1873.4757 1925.7905 3132.7755 3144.9098 3196.3222 3208.1364 3264.6782 3317.5089 3359.2909 3397.0132 3401.1386 3723.7691 3807.6598 3840.0021
4.3309 3.1845 2.9822 2.5515 1.7449 2.3244 1.4192 2.3585 4.7185 3.4050 3.8016 3.7500 3.1535 4.9308 2.4997 3.6235 3.0460 4.6771 3.0885 2.1617 2.5581 1.6184 1.9955 1.8439 1.6453 3.5455 1.9119 1.3041 1.6569 2.4920 2.1010 2.4264 2.1867 2.5765 1.6280 1.8652 1.7589 1.5084 1.2689 1.4236 1.3336 1.5109 1.6080 1.4647 1.5433 1.4969 1.3977 1.4553 1.0635 1.0480 5.0772 1.2458 7.0337 6.1572 1.0804 1.0838 1.0847 1.0405 1.1034 1.0981 1.0901 1.0965 1.0952 1.0534 1.0774 1.0924
0.0056 0.0551 0.0718 0.0758 0.0563 0.0997 0.0671 0.1416 0.3954 0.3148 0.4266 0.5177 0.5491 1.0153 0.6269 0.9464 0.8945 1.6890 1.2810 0.9882 1.2289 0.8025 1.0829 1.0867 0.9892 2.3933 1.4040 0.9774 1.3055 2.0394 1.7518 2.0977 1.9414 2.3178 1.5878 1.8805 1.8711 1.6776 1.4794 1.6957 1.6838 1.9354 2.0998 1.9932 2.2043 2.1563 2.0452 2.1985 1.6855 1.6782 10.0135 2.5412 14.5456 13.4540 6.2474 6.3155 6.5289 6.3093 6.9291 7.1206 7.2481 7.4549 7.4646 8.6063 9.2032 9.4909
1.9036 0.8086 7.6236 6.8614 3.9494 4.9619 4.1991 8.2609 1.2583 4.9204 5.3673 3.7404 2.8504 3.6964 23.9621 8.9972 3.3335 13.1935 36.3567 32.2582 25.9890 96.9282 47.4712 203.6049 53.8654 5.2747 5.5887 4.5221 5.1841 3.8230 5.5944 13.8651 3.2295 27.8978 2.0324 0.5345 19.2290 3.0781 8.2600 12.6237 23.9720 8.1927 4.9062 3.3761 4.5805 2.5024 2.6017 16.8942 3.2159 7.1796 12.4751 19.2864 12.9947 24.3214 6.1472 44.8127 27.3135 33.4942 45.5914 16.4259 10.8523 16.8021 9.6374 1.5815 9.3779 9.2620
1.2774 1.1711 2.0804 0.6178 0.4545 0.7041 0.0402 2.8081 9.4692 1.8728 2.4095 3.9895 2.0120 6.2357 2.6789 4.3426 7.5973 1.9931 6.1977 5.7188 1.3650 5.2119 3.1312 7.8888 2.5001 7.0810 5.4183 6.2878 2.3246 5.1979 2.9137 9.6067 2.3467 5.8101 11.6453 4.5229 12.6868 39.9847 9.7168 0.7348 3.4073 6.0207 1.5504 1.3814 2.5726 2.1685 6.6151 5.3682 10.3884 13.1368 40.1453 56.3399 25.7135 270.2675 128.0998 7.3775 68.6234 88.8392 52.7758 54.7676 79.1635 136.5908 100.3283 148.2866 105.4955 131.8447
0.7438 0.7143 0.5996 0.7408 0.3860 0.3544 0.7001 0.7056 0.3540 0.5899 0.5505 0.1996 0.3605 0.5851 0.7475 0.5374 0.5508 0.3653 0.7500 0.7373 0.6455 0.7137 0.7036 0.5785 0.2975 0.3429 0.4275 0.6483 0.5936 0.4228 0.1774 0.2804 0.6587 0.7088 0.6447 0.7120 0.3346 0.4446 0.7225 0.6109 0.6906 0.1709 0.4595 0.4037 0.5223 0.6726 0.7500 0.4229 0.7316 0.7427 0.3547 0.3054 0.1296 0.3123 0.2644 0.3891 0.2899 0.0292 0.7281 0.5703 0.4351 0.3501 0.1688 0.1521 0.3003 0.5171
0.8531 0.8333 0.7497 0.8511 0.5570 0.5233 0.8236 0.8274 0.5229 0.7421 0.7101 0.3327 0.5300 0.7382 0.8555 0.6991 0.7103 0.5351 0.8571 0.8488 0.7846 0.8330 0.8260 0.7330 0.4586 0.5107 0.5989 0.7866 0.7450 0.5943 0.3014 0.4380 0.7942 0.8296 0.7840 0.8318 0.5014 0.6155 0.8389 0.7585 0.8170 0.2918 0.6297 0.5752 0.6862 0.8043 0.8571 0.5945 0.8450 0.8523 0.5237 0.4679 0.2294 0.4760 0.4182 0.5603 0.4496 0.0567 0.8427 0.7263 0.6064 0.5186 0.2889 0.2640 0.4619 0.6817
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 7 6 6 6 6 6 7 7 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
921.01773 2623.85460 3446.38150
0.99999 -0.00233 0.00240 0.00232 0.99998 0.00616 -0.00241 -0.00616 0.99998
1
0.09404 0.03301 0.02513
1.95951 0.68782 0.52366
67.67 246.50 290.77 323.10 336.77 388.23 407.47 459.27 542.61 569.97 627.92 696.44 782.15 850.57 938.66 957.95 1015.77 1126.41 1207.15 1267.35 1299.15 1319.87 1380.83 1439.01 1453.39 1540.03 1606.27 1622.80 1663.86 1695.68 1711.55 1742.86 1766.16 1777.82 1851.13 1882.07 1933.31 1976.76 2023.94 2045.73 2106.19 2121.48 2141.99 2186.60 2240.21 2249.75 2267.36 2303.84 2359.70 2371.99 2632.38 2677.07 2695.51 2770.78 4507.37 4524.82 4598.79 4615.79 4697.14 4773.16 4833.27 4887.54 4893.48 5357.67 5478.37 5524.91
0.219543
0.229300
0.230244
0.184275
-527.389768
-527.380010
-527.379066
-527.425035
1.541808D-04
MUNgauss
RevisionA2.1
retrievium
09-Sep-2022
GDB_13 Smiles: CC1C2NN=CC2C=CC1=NN
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
23.803349 38.076100 9.691438
20.632867
9
|36.858105|
|12.468284|36.858105|
|7.489279|12.544223|36.858105|
|5.994098|7.401846|13.083178|53.358707|
|4.241400|5.169268|8.369404|18.511570|53.358707|
|3.970373|5.196185|8.352721|11.958560|20.602981|36.858105|
|4.906832|7.608482|12.536136|11.392580|11.305976|12.631261|36.858105|
|4.355773|6.403910|7.744849|7.155714|7.118924|7.133085|12.720588|36.858105|
|4.935733|7.293730|6.906190|6.232141|5.696071|5.022394|7.847128|14.355379|36.858105|
|7.454372|12.377723|7.748139|6.765467|5.564440|4.469522|6.676246|7.685343|12.773297|36.858105|
|6.756225|7.968324|5.293251|5.287947|4.431790|3.453602|4.639508|5.253906|7.840130|15.131983|53.358707|
|4.562402|5.162574|4.037413|4.246294|3.754935|2.981403|3.845131|4.659040|6.883301|8.341171|18.674437|53.358707|
|17.543525|8.834753|6.803786|8.946004|6.047476|3.924707|4.540733|3.817399|4.055367|5.458199|6.721268|4.956262|0.500000|
|17.627554|8.802170|5.476668|6.222011|4.721361|3.326940|4.084055|3.817813|4.474295|6.818630|10.018296|6.674969|0.301200|0.500000|
|17.544314|8.785000|6.793251|7.366760|5.508103|3.797998|4.523341|4.198526|4.783137|6.721796|8.519436|6.103910|0.300124|0.302206|0.500000|
|8.908421|17.505502|8.997637|9.284285|6.666636|4.923463|7.046194|5.686143|6.122311|8.921722|9.117563|6.323404|0.215284|0.212605|0.173511|0.500000|
|6.814599|8.921828|17.430368|12.392772|9.827156|7.261535|8.984536|7.301337|6.763163|7.104630|6.938591|5.483296|0.166513|0.140356|0.202246|0.175306|0.500000|
|6.047852|6.305527|9.139813|25.958434|13.240332|6.443660|5.986495|4.313404|3.942830|4.376918|4.887509|3.955032|0.198551|0.126600|0.159356|0.156742|0.223854|0.500000|
|3.253899|4.069686|5.738709|8.126997|12.776173|17.733066|8.201147|6.084454|4.330754|3.726732|4.070634|3.644358|0.089291|0.078130|0.087757|0.109005|0.149789|0.135360|0.500000|
|4.631291|7.124187|8.916895|9.953513|9.451665|9.100341|17.430056|8.997976|6.626283|6.108904|6.063997|5.036123|0.121986|0.111306|0.112978|0.219116|0.175248|0.147370|0.189394|0.500000|
|3.509043|4.704532|5.596181|5.864217|6.263612|6.371084|8.473489|17.697752|9.101465|5.505655|5.741006|5.464513|0.087678|0.087469|0.095818|0.120443|0.154665|0.101434|0.171871|0.188266|0.500000|
|4.087238|5.346569|5.025924|4.980857|4.685206|4.053543|5.573980|9.149317|17.749790|8.670850|9.651342|10.557214|0.094710|0.107427|0.113370|0.130079|0.143314|0.090615|0.102237|0.137393|0.219231|0.500000|
|4.186329|4.417053|3.465729|3.797134|3.354844|2.614679|3.262157|3.766763|5.088485|6.200838|13.443881|25.967054|0.094743|0.131198|0.113900|0.114102|0.095571|0.073295|0.065736|0.088779|0.092312|0.153776|0.500000|
|3.992938|4.754334|3.858654|4.102512|3.704610|3.003741|3.909336|4.905650|7.197611|7.470623|13.011943|25.860093|0.091584|0.116671|0.106471|0.124708|0.104508|0.076718|0.075865|0.106982|0.119860|0.240491|0.327164|0.500000|
527.048269
-2650.966094
959.287658
-72.357672
-1236.987839
709.378525
-527.609314
2.001065
4038000000000003
41AD9F5442000001
41458B2601745D18
40C1520000000001
C00FFFFFFFFFFFFE
4163DA959FFFFFFE