Version2.5
2022-11-02T23:18:52Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
23-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=NCC1C#N
RHF
6-31G(d)
(6D,7F)
CC1C(C)N1N1C=NCC1C#N
C1[X(C8H12N4)]
66
C1
204
CC1C(C)N1N1C=NCC1C#N
CC1N(C1C)N1C=NCC1C#N
CC1C(C)N1N2C=NCC2C#N
InChIKey=BSNNLTMVKAZKKB-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-6-7(2)12(6)11-5-10-4-8(11)3-9/h5-8H,4H2,1-2H3
InChI=1/C8H12N4/c1-6-7(2)12(6)11-5-10-4-8(11)3-9/h5-8H,4H2,1-2H3
CC1C(C)N1N1C=NCC1C#N
C01[X(C8H12N4)]
66
C1
204
CC1C(C)N1N1C=NCC1C#N
NC[C@@H]1CNC[N@@]1[N@@]1[C@@H]([C@@H]1C)C
C[C@H]1[C@@H](C)N1N2CNC[C@H]2CN
InChIKey=GUEVXFKIJHJZEY-BSFVXNEUSA-N
InChI=1S/C8H18N4/c1-6-7(2)12(6)11-5-10-4-8(11)3-9/h6-8,10H,3-5,9H2,1-2H3/t6-,7+,8-,12-/m1/s1
InChI=1/C8H18N4/c1-6-7(2)12(6)11-5-10-4-8(11)3-9/h6-8,10H,3-5,9H2,1-2H3/t6-,7+,8-,12-/m1/s1
5.270655190265D+02
-2.660532191400D+03
714.7458287926
-527.61749
1-A
1946.1785
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|
0.16833 0.19375 0.21000 0.21728 0.24699 0.25241 0.26374 0.26697 0.27634 0.28431 0.30666 0.31616 0.32101 0.33330 0.33401 0.34226 0.35435 0.36522 0.36965 0.39303 0.40901 0.43002 0.45557 0.47288 0.48603 0.54728 0.55533 0.58854 0.66273 0.68524 0.69368 0.71729 0.75150 0.76388 0.77992 0.79765 0.80366 0.81509 0.83962 0.86026 0.87074 0.88452 0.89989 0.90587 0.90607 0.92624 0.94110 0.95686 0.97067 0.99765 1.00541 1.02859 1.03773 1.05054 1.07572 1.08553 1.10240 1.11013 1.11576 1.12793 1.13011 1.14862 1.15522 1.16333 1.16769 1.17643 1.19639 1.20388 1.21497 1.22765 1.23825 1.27242 1.28233 1.29903 1.32046 1.34050 1.38148 1.42958 1.47508 1.51175 1.54961 1.59020 1.62385 1.66529 1.70068 1.73777 1.75311 1.76494 1.79211 1.81863 1.85242 1.85620 1.87635 1.91818 1.92880 1.94907 1.98621 2.00364 2.04073 2.05470 2.10300 2.14372 2.15541 2.19545 2.22485 2.25365 2.28023 2.30009 2.31210 2.32092 2.32807 2.34943 2.38297 2.39081 2.40985 2.43216 2.46637 2.49795 2.52321 2.56211 2.58487 2.61650 2.64478 2.66289 2.66435 2.69442 2.71393 2.74158 2.76409 2.78504 2.80162 2.84387 2.85540 2.93648 2.96245 2.97248 3.01025 3.08190 3.12646 3.15530 3.18267 3.19063 3.23108 3.28972 3.29573 3.40850 3.43209 3.68210 4.37076 4.42139 4.49413 4.59581 4.60169 4.63956 4.69805 4.73613 4.84586 4.88008 4.98710 5.22180
13.83742
4.5236 0.9669 3.2203
5.6363
|XX|YY|ZZ|XY|XZ|YZ|
-73.0362 -80.8174 -71.6100 -2.0645 -8.4575 -6.2019
|XX|YY|ZZ|XY|XZ|YZ|
2.1183 -5.6629 3.5445 -2.0645 -8.4575 -6.2019
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
29.0588 2.4999 6.6080 38.5521 6.0001 15.4051 5.4043 8.2311 7.9274 6.3475
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1511.2243 -843.2192 -341.2156 -29.3731 -51.8583 -9.3676 -30.0846 -21.2497 -8.2982 -456.7323 -311.5531 -188.7857 -18.0688 -32.3597 -15.0629
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|
45.8856 94.6025 130.8142 151.6848 174.3845 193.9246 202.5209 255.2350 298.7309 304.6402 353.4768 480.4222 494.1292 533.8397 568.4981 622.8942 674.4832 778.0545 845.0771 851.2442 887.8497 892.3543 974.6482 1038.1260 1057.4392 1076.4413 1082.2557 1108.5421 1130.2133 1142.8830 1166.9085 1211.2940 1242.4900 1294.9030 1313.5664 1319.7079 1325.5977 1352.9355 1410.7083 1441.7321 1471.4600 1495.3577 1506.2903 1521.7358 1567.8981 1575.8139 1605.0292 1632.3303 1642.0939 1651.3029 1652.3665 1664.2769 1902.4280 2615.1194 3214.6534 3217.7687 3237.9978 3265.4849 3267.5607 3304.4420 3312.4356 3313.1108 3324.4647 3330.5796 3342.3733 3426.5209
4.7841 4.0499 4.2880 4.1005 2.7809 1.1668 1.4077 2.2174 2.4629 3.5776 4.8942 4.7774 3.0607 2.7885 4.3837 3.3704 3.7576 4.2404 3.5891 3.3139 3.8626 4.3397 4.2052 2.7297 2.6994 1.3152 1.9051 2.3655 1.4747 1.8140 1.8609 2.0724 2.0300 1.6843 1.8450 1.7931 1.5161 1.7375 1.4139 1.4473 1.6191 1.5696 1.4620 1.2769 1.2431 1.3995 1.9208 1.0424 1.0481 1.0980 1.1356 1.1705 7.6996 12.6962 1.0405 1.0421 1.0691 1.1026 1.1025 1.0867 1.0958 1.1004 1.0936 1.0936 1.0945 1.0988
0.0059 0.0214 0.0432 0.0556 0.0498 0.0259 0.0340 0.0851 0.1295 0.1956 0.3603 0.6497 0.4403 0.4682 0.8347 0.7705 1.0072 1.5124 1.5102 1.4148 1.7939 2.0361 2.3536 1.7333 1.7784 0.8979 1.3147 1.7127 1.1099 1.3960 1.4929 1.7915 1.8464 1.6639 1.8757 1.8400 1.5697 1.8739 1.6578 1.7725 2.0654 2.0680 1.9544 1.7421 1.8005 2.0475 2.9154 1.6365 1.6652 1.7640 1.8268 1.9101 16.4185 51.1573 6.3354 6.3570 6.6041 6.9272 6.9356 6.9913 7.0837 7.1165 7.1211 7.1473 7.2043 7.6013
0.9664 3.3795 1.2862 1.4790 2.1787 0.9767 0.8921 0.5580 0.6235 3.5947 4.2808 1.0268 3.8531 10.2859 7.7083 15.6218 9.3878 5.5559 4.8479 15.5487 21.7688 9.0974 10.4529 47.2673 14.0028 7.4213 0.5276 31.4832 12.3614 2.8419 8.6032 64.6027 2.6196 9.8781 12.2554 30.4125 15.6369 49.4895 11.9616 4.2783 8.5061 25.1136 7.4283 1.1066 7.2398 0.8754 8.2822 4.9682 0.8024 2.5598 8.4546 3.9974 200.9299 4.2425 37.4040 16.4360 41.9633 13.4821 49.4706 14.6645 1.2849 18.0393 10.4367 16.5940 58.7614 8.9700
0.8318 0.3456 1.8745 0.9409 2.9213 0.6212 0.9054 1.7824 1.4352 0.8605 3.6447 4.4353 0.8632 1.9965 1.2614 3.4839 4.7435 8.4273 10.8401 15.5041 4.9261 2.6865 9.7796 10.6411 6.0925 3.6186 5.3464 3.0702 2.8042 4.3254 0.5197 6.2423 0.3975 3.8330 5.4819 1.3256 0.4289 4.4333 8.7965 10.2769 1.3306 2.5233 4.9548 2.0902 3.5504 3.0204 7.6721 12.2643 16.2002 14.1388 17.7974 7.5160 35.3431 56.8644 1.5814 234.4701 117.1921 48.2585 131.0916 65.9439 47.2290 89.0950 112.1483 57.3303 55.6745 66.0001
0.7437 0.7229 0.6983 0.7472 0.6951 0.6547 0.6477 0.7028 0.2832 0.6452 0.4858 0.5919 0.6766 0.5281 0.2355 0.4789 0.4351 0.1778 0.6974 0.1954 0.3088 0.2795 0.2854 0.6112 0.3895 0.1767 0.5357 0.7391 0.7464 0.7158 0.4841 0.6121 0.7489 0.7494 0.6287 0.7404 0.7256 0.7498 0.4707 0.4943 0.7496 0.7315 0.3754 0.7166 0.7350 0.7471 0.3126 0.7492 0.7498 0.5985 0.7498 0.7160 0.2501 0.2640 0.7479 0.0761 0.2113 0.7495 0.6859 0.1124 0.7399 0.6629 0.3773 0.4202 0.0406 0.2721
0.8530 0.8391 0.8224 0.8553 0.8202 0.7913 0.7862 0.8254 0.4414 0.7844 0.6539 0.7436 0.8071 0.6912 0.3812 0.6477 0.6063 0.3019 0.8217 0.3270 0.4719 0.4369 0.4440 0.7587 0.5607 0.3004 0.6976 0.8500 0.8548 0.8344 0.6524 0.7594 0.8564 0.8568 0.7720 0.8509 0.8410 0.8570 0.6401 0.6616 0.8569 0.8449 0.5459 0.8349 0.8472 0.8553 0.4763 0.8566 0.8570 0.7488 0.8570 0.8345 0.4001 0.4177 0.8557 0.1415 0.3489 0.8568 0.8137 0.2021 0.8505 0.7973 0.5479 0.5917 0.0780 0.4278
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 7 6 6 6 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 14.00307 12.00000 12.00000 12.00000 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
1262.65957 2225.18168 2825.81511
0.99994 -0.00822 -0.00730 0.00792 0.99917 -0.04000 0.00762 0.03994 0.99917
1
0.06860 0.03892 0.03065
1.42932 0.81105 0.63866
66.02 136.11 188.21 218.24 250.90 279.01 291.38 367.23 429.81 438.31 508.57 691.22 710.94 768.08 817.94 896.21 970.43 1119.45 1215.88 1224.75 1277.42 1283.90 1402.30 1493.63 1521.42 1548.76 1557.12 1594.94 1626.12 1644.35 1678.92 1742.78 1787.67 1863.08 1889.93 1898.77 1907.24 1946.57 2029.69 2074.33 2117.10 2151.49 2167.22 2189.44 2255.86 2267.24 2309.28 2348.56 2362.61 2375.86 2377.39 2394.52 2737.17 3762.57 4625.17 4629.65 4658.76 4698.30 4701.29 4754.35 4765.86 4766.83 4783.16 4791.96 4808.93 4930.00
0.215483
0.226450
0.227395
0.178384
-527.402007
-527.391040
-527.390095
-527.439106
1.643837D-04
MUNgauss
RevisionA2.1
retrievium
02-Nov-2022
GDB_13 Smiles: CC1C(C)N1N1C=NCC1C#N
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
23.958973 33.376165 16.066189
23.421022
8
|36.858105|
|12.595625|36.858105|
|7.253832|12.951613|36.858105|
|6.083141|7.258020|12.599251|36.858105|
|7.252495|12.976219|13.000835|7.264816|53.358707|
|6.552833|7.826806|7.828807|6.559186|18.286002|53.358707|
|5.729876|6.016060|5.227272|4.493738|10.927338|18.508504|36.858105|
|4.252486|4.347771|4.071563|3.751358|7.535429|11.457273|15.239686|53.358707|
|3.809276|4.019047|4.159237|4.077789|7.220546|11.220965|8.761755|17.798048|36.858105|
|4.431768|5.142220|5.919054|5.667247|10.674205|17.791445|8.462777|10.905546|12.296934|36.858105|
|3.674580|4.522589|5.319589|4.704596|9.412952|10.541605|6.135228|8.065730|7.582439|12.818114|36.858105|
|3.139524|3.863323|4.484900|3.933408|7.420741|7.416449|4.709560|6.291314|5.458146|7.273631|16.791735|53.358707|
|17.550050|8.947724|6.181647|5.559438|7.468347|6.632190|4.319952|4.666384|3.161648|3.632387|3.125070|3.736586|0.500000|
|17.552276|8.861630|5.465437|4.593670|8.376023|7.966188|5.942099|5.983139|3.699077|4.049334|3.423243|4.033262|0.302600|0.500000|
|17.645302|8.748338|6.711489|6.647094|9.093325|9.802083|6.081378|6.297766|4.257974|4.887722|3.791563|4.303864|0.301493|0.301797|0.500000|
|8.772919|17.688948|8.746190|5.421998|12.342619|7.911275|5.018504|5.154545|3.446056|4.224071|4.000046|4.889343|0.209592|0.213061|0.171798|0.500000|
|5.420070|8.744357|17.694415|8.773936|12.359818|7.913349|4.280903|4.752513|3.594349|4.958598|4.997367|6.157662|0.138491|0.122555|0.136730|0.217069|0.500000|
|6.625086|6.708050|8.755402|17.635725|9.133034|9.868765|4.971471|5.670185|4.547188|6.057238|4.549717|5.038785|0.161190|0.138305|0.234226|0.136632|0.171902|0.500000|
|4.587819|5.465745|8.876196|17.554823|8.372818|7.933831|4.085285|4.869954|4.105067|5.866824|5.099144|5.858027|0.117398|0.103300|0.138177|0.122667|0.214100|0.301201|0.500000|
|5.589602|6.199950|8.939127|17.550481|7.479442|6.646957|3.679796|4.266691|3.325511|4.284809|3.740781|4.454854|0.157817|0.117882|0.163066|0.138694|0.208606|0.301608|0.302568|0.500000|
|6.338917|6.330841|4.898228|4.066352|9.884138|12.147727|17.750243|12.619364|5.916322|5.858776|4.817530|5.418889|0.130464|0.205738|0.171883|0.154563|0.113379|0.122404|0.100238|0.096230|0.500000|
|3.671993|3.679128|3.819579|3.991645|6.159181|9.173462|6.837237|12.419227|17.562141|8.763289|5.640477|5.902300|0.086067|0.098207|0.118553|0.087069|0.091121|0.129160|0.111523|0.091764|0.140066|0.500000|
|3.167637|3.386348|3.539283|3.451975|5.954054|8.038581|6.317896|12.316742|17.637350|8.628827|7.317828|7.813828|0.075084|0.086296|0.095570|0.083516|0.088551|0.103137|0.099103|0.080245|0.132174|0.301388|0.500000|
|4.176303|4.717949|5.868059|6.525863|8.828769|12.315189|6.060103|7.934441|8.639988|17.643299|9.154393|8.363601|0.098336|0.102652|0.131693|0.107054|0.137192|0.197391|0.205551|0.133419|0.128530|0.222162|0.188625|0.500000|
527.065355
-2660.531746
963.424533
-72.321516
-1242.363373
714.745880
-527.617492
2.001048
4047FFFFFFFFFFFF
41A760A6B7FFFFFE
414100793FFFFFFF
40B2DB0000000000
3FF000000000000C
414054437FFFFFFF