Version2.5
2023-01-03T13:08:50Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
26-Dec-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1NC2CCNN=C(C#N)C12
RHF
6-31G(d)
(6D,7F)
CC1NC2CCNN=C(C#N)C12
C1[X(C8H12N4)]
66
C1
204
CC1NC2CCNN=C(C#N)C12
N#CC1=NNCCC2C1C(C)N2
CC1NC2CCNN=C(C#N)C12
InChIKey=BUUOYOXHLHQYNN-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-5-8-6(11-5)2-3-10-12-7(8)4-9/h5-6,8,10-11H,2-3H2,1H3
InChI=1/C8H12N4/c1-5-8-6(11-5)2-3-10-12-7(8)4-9/h5-6,8,10-11H,2-3H2,1H3
CC1NC2CCNN=C(C#N)C12
C01[X(C8H12N4)]
66
C1
204
CC1NC2CCNN=C(C#N)C12
NC[C@H]1NNCC[C@H]2[C@@H]1[C@@H](C)N2
C[C@H]1N[C@H]2CCNN[C@H](CN)[C@@H]12
InChIKey=OJXAPJIKLSOJFF-CWKFCGSDSA-N
InChI=1S/C8H18N4/c1-5-8-6(11-5)2-3-10-12-7(8)4-9/h5-8,10-12H,2-4,9H2,1H3/t5-,6+,7-,8+/m1/s1
InChI=1/C8H18N4/c1-5-8-6(11-5)2-3-10-12-7(8)4-9/h5-8,10-12H,2-4,9H2,1H3/t5-,6+,7-,8+/m1/s1
5.270659562083D+02
-2.665666805468D+03
716.9732918288
-527.6334871
1-A
1875.1270
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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12.80204
-5.3824 2.7983 0.1579
6.0684
|XX|YY|ZZ|XY|XZ|YZ|
-83.2827 -69.0833 -70.0235 8.2995 -0.2376 5.2333
|XX|YY|ZZ|XY|XZ|YZ|
-9.1528 5.0465 4.1064 8.2995 -0.2376 5.2333
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-83.5575 17.4433 0.3804 -20.6113 20.1364 -10.9587 -4.6063 -3.6431 -7.1309 -6.6098
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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|
59.8159 109.1072 143.5028 183.2279 247.2795 266.6195 296.0075 314.2569 386.9537 416.2369 464.2032 496.0279 551.9174 588.4508 628.8295 635.5440 697.4656 733.4324 796.4009 848.2645 860.3568 944.3279 966.3620 1012.7110 1035.6538 1069.5615 1094.5806 1146.9741 1173.1194 1191.8858 1221.4350 1229.2495 1258.2849 1266.5429 1315.7744 1326.0016 1359.4982 1410.0861 1430.6719 1490.2114 1510.2901 1521.6092 1525.3813 1540.6704 1550.2712 1566.7082 1584.3241 1619.7139 1635.2111 1640.0691 1643.9762 1702.9870 1906.2343 2601.7775 3173.0905 3181.1669 3204.7635 3210.7454 3219.2577 3249.1019 3253.0345 3272.2101 3273.2205 3294.4662 3764.3757 3843.5546
3.8773 3.1999 5.8472 4.8858 2.9528 1.2429 2.9882 2.9306 3.5783 4.6516 2.4136 2.9899 7.3883 4.0008 4.3749 3.6495 2.3712 4.9665 1.5428 2.8329 2.7996 2.2494 2.1426 2.1816 2.3953 2.3083 1.5775 2.1400 1.8704 1.8579 2.7067 2.0392 2.4558 1.9820 1.7306 1.9186 1.5238 1.3292 1.3942 1.6200 1.4141 1.4787 1.4027 1.4122 1.4839 1.4367 1.4892 1.1173 1.0559 1.0519 1.0905 1.2653 6.5922 12.7099 1.0836 1.0854 1.0664 1.0391 1.0654 1.1002 1.0873 1.1006 1.1033 1.1044 1.0768 1.0778
0.0082 0.0224 0.0709 0.0966 0.1064 0.0521 0.1543 0.1705 0.3157 0.4748 0.3064 0.4334 1.3260 0.8162 1.0193 0.8685 0.6796 1.5741 0.5765 1.2010 1.2210 1.1818 1.1789 1.3183 1.5137 1.5558 1.1135 1.6587 1.5166 1.5551 2.3792 1.8155 2.2909 1.8732 1.7653 1.9875 1.6594 1.5571 1.6813 2.1197 1.9004 2.0171 1.9230 1.9750 2.1012 2.0777 2.2023 1.7271 1.6635 1.6671 1.7365 2.1620 14.1135 50.6912 6.4280 6.4716 6.4533 6.3110 6.5053 6.8432 6.7791 6.9435 6.9647 7.0621 8.9900 9.3813
0.9309 3.1091 2.3318 4.7052 0.3668 0.5605 1.6224 2.8314 7.1592 3.9618 3.1883 6.7581 6.9506 32.4747 20.6649 12.9331 25.4091 2.4050 151.2654 9.3955 51.7478 4.1844 17.6226 16.8377 0.3966 18.5576 1.5918 39.2932 3.9383 6.1195 8.9113 19.5153 8.3719 26.5854 58.1031 15.9393 11.1077 2.4736 50.9273 19.8153 9.8838 10.3745 4.0680 4.1986 18.7530 38.4615 7.0899 3.8908 3.6460 3.0336 7.4836 28.9157 41.8851 27.7796 34.0142 71.4885 55.5365 23.5839 28.1664 31.3940 36.2823 46.8912 33.9849 28.8204 1.7152 23.5069
1.1559 0.6290 1.7973 2.1932 0.5215 0.9118 1.3179 2.5046 2.3703 1.7539 1.0449 1.0658 0.9266 3.5994 6.8835 2.9721 11.2211 4.5880 6.3359 5.2038 10.3275 1.6238 0.9393 1.1550 14.5138 7.0520 0.5503 5.4676 5.1984 1.0315 3.4672 3.7612 4.2043 7.9664 7.0095 3.4069 6.5598 1.6890 12.4183 4.7199 3.2521 1.7281 6.3491 6.8454 8.3943 5.4316 1.0489 11.6897 11.4276 10.1835 14.8815 26.7760 149.1752 174.1851 55.5707 93.8301 86.2324 111.5548 129.8801 77.7145 103.3101 87.0195 87.8558 37.0200 114.5680 140.3822
0.7466 0.4608 0.6971 0.7174 0.7346 0.7491 0.6987 0.4635 0.4836 0.7125 0.7046 0.7458 0.6665 0.3971 0.5102 0.6483 0.0559 0.2711 0.4362 0.7466 0.2181 0.3756 0.2296 0.5733 0.7258 0.3570 0.5276 0.5379 0.5514 0.6684 0.6101 0.1962 0.6519 0.7463 0.7130 0.7151 0.4026 0.6743 0.6865 0.2291 0.7431 0.5749 0.6727 0.7493 0.6884 0.5991 0.7432 0.6543 0.7347 0.7325 0.7468 0.3696 0.2734 0.2945 0.6219 0.4821 0.2316 0.0535 0.0677 0.7030 0.2500 0.7281 0.3260 0.6801 0.3143 0.2709
0.8549 0.6309 0.8215 0.8354 0.8470 0.8565 0.8226 0.6334 0.6519 0.8321 0.8267 0.8544 0.7999 0.5685 0.6757 0.7866 0.1058 0.4265 0.6075 0.8549 0.3581 0.5461 0.3734 0.7287 0.8411 0.5261 0.6908 0.6995 0.7108 0.8013 0.7578 0.3280 0.7893 0.8547 0.8325 0.8339 0.5741 0.8055 0.8141 0.3728 0.8526 0.7301 0.8043 0.8567 0.8154 0.7493 0.8527 0.7910 0.8471 0.8456 0.8551 0.5397 0.4294 0.4550 0.7669 0.6505 0.3761 0.1016 0.1269 0.8256 0.4000 0.8427 0.4917 0.8096 0.4783 0.4264
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 6 6 6 7 7 6 6 7 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 14.00307 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
1417.18861 1888.08388 2795.07005
0.99472 0.10199 -0.01179 -0.10196 0.99478 0.00268 0.01200 -0.00146 0.99993
1
0.06112 0.04587 0.03099
1.27347 0.95586 0.64569
86.06 156.98 206.47 263.62 355.78 383.61 425.89 452.15 556.74 598.87 667.88 713.67 794.09 846.65 904.75 914.41 1003.50 1055.25 1145.84 1220.46 1237.86 1358.68 1390.38 1457.07 1490.07 1538.86 1574.86 1650.24 1687.86 1714.86 1757.37 1768.62 1810.39 1822.27 1893.11 1907.82 1956.01 2028.80 2058.42 2144.08 2172.97 2189.26 2194.68 2216.68 2230.49 2254.14 2279.49 2330.41 2352.70 2359.69 2365.32 2450.22 2742.65 3743.38 4565.37 4576.99 4610.94 4619.55 4631.79 4674.73 4680.39 4707.98 4709.43 4740.00 5416.10 5530.02
0.219057
0.229016
0.229960
0.183479
-527.414430
-527.404471
-527.403527
-527.450008
1.558980D-04
MUNgauss
RevisionA2.1
retrievium
03-Jan-2023
GDB_13 Smiles: CC1NC2CCNN=C(C#N)C12
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
30.939918 26.483146 14.711535
22.928849
9
|36.858105|
|12.560680|36.858105|
|7.585949|12.996229|53.358707|
|5.538894|9.027283|17.714774|36.858105|
|4.208230|5.527539|10.323675|12.559369|36.858105|
|4.286181|4.985865|8.497695|7.520118|12.547485|36.858105|
|4.079633|4.557754|6.663823|5.998605|7.711920|13.085109|53.358707|
|4.814666|5.211988|6.722438|5.817429|5.981947|7.764475|19.325131|53.358707|
|6.224647|7.254487|8.138422|7.084420|5.967663|6.459809|11.194571|20.589441|36.858105|
|5.881667|5.905590|6.129019|4.844456|4.112253|4.362488|7.265813|11.433255|13.038526|36.858105|
|5.070147|4.790700|5.026103|3.841537|3.312218|3.468732|5.580638|7.818522|7.337611|16.767295|53.358707|
|7.076525|12.184250|12.252968|12.302763|7.101290|6.103688|8.311307|10.098612|12.561022|7.717480|7.545192|36.858105|
|17.540240|8.916630|9.274601|4.738055|3.729199|3.747148|4.695175|5.245322|4.642035|4.412553|5.439845|5.330239|0.500000|
|17.572028|8.799022|7.528657|4.585847|3.587469|3.647712|4.990776|6.102621|5.856699|6.498298|8.285009|6.196049|0.301153|0.500000|
|17.576696|8.824315|9.413806|5.297387|4.369868|4.857044|6.350933|7.572876|6.726793|6.070708|6.892720|6.523759|0.301921|0.300089|0.500000|
|8.903728|17.502096|12.153379|7.173713|4.599424|3.997830|5.062306|5.685793|5.565478|5.023534|5.948551|8.773873|0.213365|0.214193|0.173568|0.500000|
|6.177851|9.026680|25.892196|9.036667|6.190571|5.007968|5.406769|5.348478|4.575164|3.697315|4.303603|6.415195|0.173774|0.131783|0.152294|0.222983|0.500000|
|4.604238|7.178780|12.158968|17.495061|8.932996|5.513422|6.382113|6.231773|5.467285|4.155686|4.693046|8.844205|0.114317|0.111213|0.117785|0.190506|0.223065|0.500000|
|3.569590|4.570288|7.549990|8.861684|17.541209|8.909106|9.925550|7.675201|5.467719|3.913644|4.348982|6.169498|0.088047|0.088178|0.101693|0.111362|0.133093|0.220001|0.500000|
|3.766141|4.782316|9.449401|9.001965|17.516328|8.914529|7.680878|6.172899|4.528706|3.380312|3.843804|5.376158|0.097141|0.088932|0.107461|0.115224|0.177349|0.214151|0.302164|0.500000|
|3.504352|3.923373|6.576571|5.526084|8.897223|17.584930|12.760270|7.924265|4.807270|3.559058|4.009557|4.551061|0.088192|0.084689|0.109253|0.091451|0.115899|0.124390|0.208433|0.222842|0.500000|
|5.057181|5.561886|9.817217|7.088439|8.865838|17.534125|12.291057|9.568385|6.294462|4.401446|4.799224|6.026148|0.123454|0.114137|0.168607|0.118985|0.156266|0.142186|0.174349|0.207119|0.301557|0.500000|
|3.563630|3.777481|5.465577|4.602761|5.760006|9.265876|26.039649|13.701298|6.187395|4.605967|5.057771|4.689048|0.085683|0.090540|0.114639|0.087799|0.093880|0.105020|0.155257|0.129505|0.240352|0.205095|0.500000|
|5.641527|8.581833|8.761267|8.627744|5.660447|4.752791|6.761695|8.136667|9.129599|7.335172|7.712733|17.584247|0.124750|0.151547|0.139719|0.225633|0.145249|0.227492|0.151690|0.125388|0.105159|0.126195|0.110811|0.500000|
527.065651
-2665.665833
966.344395
-72.351041
-1244.606828
716.973343
-527.633484
2.001077
4030000000000003
41AA4A754E000001
41431EE0F2E8BA2F
40D120C000000000
402DFFFFFFFFFFFF
416752B5BFFFFFFF