Version2.5
2022-11-02T14:26:43Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
20-Oct-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1C(C)N1N1C=C(C=C)N=N1
RHF
6-31G(d)
(6D,7F)
CC1C(C)N1N1C=C(C=C)N=N1
C1[X(C8H12N4)]
66
C1
204
CC1C(C)N1N1C=C(C=C)N=N1
C=Cc1nnn(c1)N1C(C1C)C
CC1C(C)N1n2cc(C=C)nn2
InChIKey=UADRMSDEYMPLRY-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-4-8-5-11(10-9-8)12-6(2)7(12)3/h4-7H,1H2,2-3H3
InChI=1/C8H12N4/c1-4-8-5-11(10-9-8)12-6(2)7(12)3/h4-7H,1H2,2-3H3
CC1C(C)N1N1C=C(C=C)N=N1
C01[X(C8H12N4)]
66
C1
204
CC1C(C)N1N1C=C(C=C)N=N1
CC[C@@H]1NN[N@@](C1)[N@@]1[C@@H]([C@@H]1C)C
CC[C@H]1CN(NN1)N2[C@@H](C)[C@H]2C
InChIKey=YKUMEHCKWGKXIX-MEUQOTJWSA-N
InChI=1S/C8H18N4/c1-4-8-5-11(10-9-8)12-6(2)7(12)3/h6-10H,4-5H2,1-3H3/t6-,7+,8-,12-/m0/s1
InChI=1/C8H18N4/c1-4-8-5-11(10-9-8)12-6(2)7(12)3/h6-10H,4-5H2,1-3H3/t6-,7+,8-,12-/m0/s1
5.270000855441D+02
-2.637962095072D+03
703.4715073403
-527.573321
1-A
2331.0553
44
160
204
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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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12.36829
-2.8525 3.5017 0.8416
4.5942
|XX|YY|ZZ|XY|XZ|YZ|
-62.4763 -70.6414 -75.2551 3.6652 -1.2350 -0.9352
|XX|YY|ZZ|XY|XZ|YZ|
6.9813 -1.1838 -5.7975 3.6652 -1.2350 -0.9352
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-10.0282 13.0599 3.6162 -7.3338 4.9261 3.8285 -6.8919 -1.2518 -3.4768 -3.7978
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
26.9848 66.0874 115.3653 140.3256 187.1003 221.0623 232.9710 256.4153 297.9433 321.1509 366.1611 448.9942 507.4175 575.2600 652.3066 672.9665 702.6485 743.3187 757.0758 836.8751 847.3913 861.6233 924.7238 1005.5323 1075.6353 1084.5555 1119.4953 1133.0272 1134.7250 1137.3004 1148.4436 1175.1676 1225.2393 1246.6469 1293.4439 1297.2315 1330.4534 1407.8755 1422.5702 1448.4592 1461.0189 1524.6121 1544.6938 1574.1453 1579.1173 1587.5455 1597.7596 1629.6256 1630.8755 1637.7982 1647.0967 1660.7802 1725.3748 1883.3687 3217.3018 3220.5332 3271.8601 3299.0273 3314.4352 3327.7048 3335.3240 3337.1026 3351.2225 3353.8538 3433.0686 3486.3993
4.1030 3.4253 2.9354 3.4815 1.2798 2.1378 2.0090 1.6144 1.7434 3.5217 3.9646 3.7236 2.9176 3.2884 2.6700 2.8799 3.3091 4.2227 4.2097 2.5375 3.9414 3.1055 1.7032 2.7301 1.1749 1.3547 2.0741 1.1122 1.9114 3.5151 1.5481 2.5382 1.7911 1.9459 1.8660 1.5702 1.3849 2.1135 3.2192 1.8534 3.0872 1.3249 2.2596 1.3316 1.3881 2.0161 1.8792 1.1767 1.1324 1.9207 1.1709 1.3435 4.3280 4.8198 1.0427 1.0475 1.1028 1.0910 1.0970 1.0919 1.0942 1.0725 1.0983 1.0809 1.1176 1.1017
0.0018 0.0088 0.0230 0.0404 0.0264 0.0616 0.0642 0.0625 0.0912 0.2140 0.3132 0.4423 0.4426 0.6412 0.6694 0.7684 0.9626 1.3746 1.4216 1.0471 1.6675 1.3584 0.8581 1.6264 0.8009 0.9388 1.5315 0.8412 1.4501 2.6788 1.2030 2.0653 1.5842 1.7818 1.8393 1.5568 1.4444 2.4682 3.8383 2.2910 3.8826 1.8144 3.1766 1.9440 2.0393 2.9937 2.8264 1.8412 1.7745 3.0356 1.8716 2.1834 7.5911 10.0727 6.3593 6.4012 6.9559 6.9960 7.1001 7.1240 7.1715 7.0371 7.2672 7.1637 7.7606 7.8898
6.9869 0.8098 0.2106 2.7134 0.1049 0.9207 0.3192 0.2975 0.1099 1.0951 0.7734 1.0806 0.3627 0.3299 11.2589 5.1634 2.6861 15.5315 16.8820 0.5225 0.8129 4.1000 27.7270 16.4317 0.9352 45.3197 29.1344 16.6158 2.0711 24.8747 3.1313 16.1906 30.4981 2.9897 29.6117 2.2967 0.4155 2.3522 5.7697 5.1327 11.3544 2.3091 2.5019 7.4492 1.7898 1.8757 16.9930 0.0449 8.5368 5.3803 9.9937 7.1725 4.8254 6.5852 26.4285 33.0451 29.6192 15.1522 2.4260 18.5184 31.9482 11.0846 49.9612 15.3652 13.1759 1.1618
3.6254 7.0667 2.4103 1.7489 0.1715 0.7482 0.5594 0.8337 0.9726 3.7648 1.1600 6.9409 1.2111 1.0414 2.0348 2.0988 5.8724 5.4615 9.7251 7.0429 9.2655 14.6010 5.6614 9.0830 3.4379 6.2520 10.9378 3.3946 8.1969 17.4827 2.0899 1.1147 2.2420 1.1896 3.1604 3.5212 1.0117 12.9878 23.2471 9.9226 77.4849 3.1618 17.4891 11.5212 5.6364 66.2943 8.5824 3.8197 17.0669 27.6410 11.1699 13.9161 26.8273 303.6997 15.0880 247.4715 88.4108 69.9524 69.4856 76.4508 155.6659 25.5185 23.8626 146.4056 82.6058 42.6601
0.7499 0.7337 0.7013 0.5594 0.7346 0.6104 0.5081 0.5610 0.3601 0.3540 0.4637 0.3896 0.7192 0.5383 0.7471 0.6262 0.5031 0.7087 0.4504 0.7493 0.6260 0.1381 0.7289 0.4266 0.7476 0.7484 0.3069 0.7490 0.4977 0.2458 0.7005 0.5761 0.4783 0.7306 0.6400 0.6460 0.7329 0.4257 0.5328 0.5066 0.5304 0.7407 0.3159 0.5275 0.3511 0.3166 0.2912 0.3096 0.6613 0.5982 0.6167 0.6971 0.3257 0.2695 0.4453 0.1130 0.7035 0.6320 0.6667 0.5068 0.2166 0.7351 0.1659 0.1442 0.6588 0.3512
0.8571 0.8464 0.8244 0.7175 0.8470 0.7580 0.6738 0.7188 0.5295 0.5229 0.6336 0.5607 0.8367 0.6998 0.8553 0.7702 0.6694 0.8295 0.6210 0.8567 0.7700 0.2426 0.8432 0.5981 0.8556 0.8561 0.4696 0.8565 0.6647 0.3946 0.8239 0.7310 0.6471 0.8443 0.7805 0.7849 0.8459 0.5972 0.6952 0.6725 0.6931 0.8510 0.4802 0.6907 0.5197 0.4810 0.4511 0.4728 0.7961 0.7486 0.7629 0.8215 0.4913 0.4246 0.6162 0.2031 0.8259 0.7745 0.8001 0.6727 0.3561 0.8473 0.2846 0.2521 0.7943 0.5198
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 6 6 6 6 7 7 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 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
777.79569 3248.81619 3575.07634
0.99996 0.00593 -0.00675 -0.00596 0.99997 -0.00451 0.00672 0.00455 0.99997
1
0.11136 0.02666 0.02423
2.32033 0.55551 0.50481
38.83 95.08 165.98 201.90 269.20 318.06 335.19 368.92 428.67 462.06 526.82 646.00 730.06 827.67 938.52 968.25 1010.95 1069.47 1089.26 1204.08 1219.21 1239.68 1330.47 1446.74 1547.60 1560.43 1610.70 1630.17 1632.62 1636.32 1652.35 1690.80 1762.85 1793.65 1860.98 1866.43 1914.23 2025.62 2046.76 2084.01 2102.08 2193.58 2222.47 2264.84 2272.00 2284.12 2298.82 2344.67 2346.47 2356.43 2369.80 2389.49 2482.43 2709.75 4628.98 4633.63 4707.48 4746.56 4768.73 4787.83 4798.79 4801.35 4821.66 4825.45 4939.42 5016.15
0.214329
0.225276
0.226220
0.176535
-527.358992
-527.348045
-527.347101
-527.396786
1.666443D-04
MUNgauss
RevisionA2.1
retrievium
02-Nov-2022
GDB_13 Smiles: CC1C(C)N1N1C=C(C=C)N=N1
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
19.603229 13.924765 41.866893
22.524858
8
|36.858105|
|12.594407|36.858105|
|7.231401|12.918157|36.858105|
|6.065095|7.257604|12.609577|36.858105|
|7.181279|13.007080|12.955408|7.289912|53.358707|
|6.292106|7.754249|7.818890|6.543352|18.698064|53.358707|
|4.450776|5.190726|5.912585|5.718565|10.712523|19.350554|36.858105|
|3.968599|4.185153|4.360760|4.405475|7.454983|12.164629|13.954094|36.858105|
|3.066870|3.176634|3.348580|3.488928|5.311692|7.257526|7.458367|13.000247|36.858105|
|2.745965|2.746036|2.803757|2.917124|4.366546|5.668808|5.078017|7.712767|14.425658|36.858105|
|4.664910|4.572257|4.315511|4.218232|7.599864|12.401399|8.705454|14.089171|7.662678|6.409972|53.358707|
|6.517176|6.468001|5.573310|5.025616|10.955825|19.804255|8.719890|8.885057|5.374377|4.520496|20.367859|53.358707|
|17.536112|9.017714|6.141435|5.426729|7.441530|6.418241|3.623354|3.264670|2.635328|2.394582|5.041229|6.473372|0.500000|
|17.616234|8.880905|5.482124|4.626643|8.423695|7.875423|4.146443|3.878578|3.016832|2.759095|6.540838|9.197143|0.300792|0.500000|
|17.664932|8.718666|6.706321|6.720617|8.841973|9.008314|4.818798|4.419111|3.384208|3.026531|7.160331|9.706938|0.301337|0.303295|0.500000|
|8.808872|17.696334|8.749890|5.413776|12.461084|7.934483|4.260234|3.537040|2.786151|2.448850|5.219430|6.979511|0.215210|0.211227|0.171835|0.500000|
|5.415355|8.702624|17.691706|8.763847|12.322426|7.970055|4.924906|3.708720|2.979258|2.515192|4.876069|5.971951|0.138713|0.122465|0.137029|0.216350|0.500000|
|6.637063|6.744844|8.750184|17.633067|9.132319|9.655830|6.106562|4.995772|3.868106|3.250397|6.723585|7.960301|0.157086|0.140637|0.237958|0.137077|0.171649|0.500000|
|4.588259|5.479988|8.877376|17.557470|8.463808|8.094936|5.977750|4.479424|3.668546|3.000104|5.446766|6.106236|0.115375|0.104362|0.139267|0.122667|0.212430|0.302123|0.500000|
|5.534686|6.146361|8.948218|17.554378|7.475032|6.597995|4.314144|3.545466|2.938252|2.534546|4.724477|5.503130|0.152309|0.117391|0.165533|0.137378|0.209643|0.301646|0.302016|0.500000|
|3.884021|4.696802|5.849825|5.742078|9.509900|12.261824|17.849508|8.511873|6.261353|4.383297|7.993632|8.124172|0.091380|0.098853|0.114125|0.110606|0.145133|0.156158|0.184584|0.121171|0.500000|
|2.794044|2.964934|3.234416|3.403552|4.983264|6.437768|6.838345|8.824162|17.682692|9.166012|7.621120|6.030979|0.067814|0.075208|0.084577|0.072984|0.081893|0.101575|0.103235|0.080060|0.183634|0.500000|
|2.858983|2.778739|2.749109|2.831376|4.312947|5.592039|4.646547|6.964827|9.097715|17.732751|9.561436|6.514840|0.068958|0.081462|0.087856|0.068924|0.067907|0.088751|0.078782|0.068875|0.108407|0.173766|0.500000|
|2.385341|2.392968|2.463352|2.575792|3.747755|4.652899|4.106474|5.531577|9.122305|17.726474|6.409442|4.909573|0.058838|0.066356|0.072337|0.060083|0.062466|0.078441|0.074372|0.063243|0.104013|0.219576|0.288194|0.500000|
527.000466
-2637.962690
952.209160
-72.291817
-1231.044881
703.471558
-527.573323
2.001087
4047FFFFFFFFFFFD
41A7E67B29FFFFFB
414161CDEFFFFFFC
4091B80000000001
C020000000000000
414330FCFFFFFFFF