Version2.5
2022-11-03T01:14:54Z
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: CC1(C)CN1N1C=NC(=N1)C#C
RHF
6-31G(d)
(6D,7F)
CC1(C)CN1N1C=NC(=N1)C#C
C1[X(C8H10N4)]
60
C1
200
CC1(C)CN1N1C=NC(=N1)C#C
C#Cc1ncn(n1)N1CC1(C)C
CC1(C)CN1n2cnc(n2)C#C
InChIKey=WSOUYYMHYROKSF-UHFFFAOYSA-N
InChI=1S/C8H10N4/c1-4-7-9-6-12(10-7)11-5-8(11,2)3/h1,6H,5H2,2-3H3
InChI=1/C8H10N4/c1-4-7-9-6-12(10-7)11-5-8(11,2)3/h1,6H,5H2,2-3H3
CC1(C)CN1N1C=NC(=N1)C#C
C01[X(C8H10N4)]
60
C1
200
CC1(C)CN1N1C=NC(=N1)C#C
CC[C@@H]1NC[N@@](N1)[N@@]1CC1(C)C
CC[C@@H]1NCN(N1)N2CC2(C)C
InChIKey=WMDXIFQACQDJOJ-RDDDGLTNSA-N
InChI=1S/C8H18N4/c1-4-7-9-6-12(10-7)11-5-8(11,2)3/h7,9-10H,4-6H2,1-3H3/t7-,11-/m1/s1
InChI=1/C8H18N4/c1-4-7-9-6-12(10-7)11-5-8(11,2)3/h7,9-10H,4-6H2,1-3H3/t7-,11-/m1/s1
5.258070940632D+02
-2.577011271791D+03
674.2748058156
-526.4044298
1-A
2285.5820
43
157
200
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12.99306
3.3054 -1.2439 -0.0416
3.5319
|XX|YY|ZZ|XY|XZ|YZ|
-64.2274 -69.4397 -70.3010 5.3035 1.3041 0.1529
|XX|YY|ZZ|XY|XZ|YZ|
3.7620 -1.4503 -2.3116 5.3035 1.3041 0.1529
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
51.0039 88.0861 114.5003 182.3554 186.8142 218.5991 240.5786 325.6093 330.3024 390.7102 408.1863 512.1258 521.8444 561.4498 609.1377 636.7841 704.6746 757.5576 776.1532 808.9007 831.5060 854.9416 942.5024 1001.6187 1025.4955 1057.8564 1063.2143 1130.7938 1133.6057 1137.0387 1199.4918 1233.7684 1264.2351 1284.2252 1343.6885 1416.9842 1445.6782 1483.6064 1510.4995 1568.9540 1579.2279 1597.1198 1627.4727 1631.7575 1639.2600 1648.1667 1653.0069 1671.7696 1722.0292 2437.0081 3206.5142 3214.9773 3263.8486 3270.6999 3293.8908 3320.6456 3336.3851 3420.5811 3480.3397 3665.6827
4.0068 4.5318 3.6469 1.6244 3.0187 1.5561 1.3893 3.4908 3.3541 2.4970 2.5214 3.7250 4.3598 3.2165 5.3932 6.0102 4.3844 4.4120 4.3618 1.3435 1.3457 10.9131 3.8048 1.4530 1.4151 1.5262 1.9539 2.1696 4.0592 2.2940 2.2065 1.4918 1.8730 1.3529 1.6776 2.9055 6.4837 6.3234 2.9649 1.3844 1.3119 5.6899 1.0499 1.0642 2.1622 1.3261 1.0672 1.6721 6.7209 5.7786 1.0381 1.0412 1.1030 1.1024 1.1025 1.0580 1.0985 1.1172 1.1021 1.1717
0.0061 0.0207 0.0282 0.0318 0.0621 0.0438 0.0474 0.2181 0.2156 0.2246 0.2475 0.5756 0.6995 0.5974 1.1790 1.4359 1.2827 1.4918 1.5482 0.5179 0.5482 4.6997 1.9913 0.8588 0.8768 1.0063 1.3013 1.6345 3.0733 1.7474 1.8705 1.3379 1.7638 1.3147 1.7846 3.4371 7.9840 8.2005 3.9857 2.0079 1.9277 8.5513 1.6384 1.6694 3.4233 2.1224 1.7182 2.7534 11.7425 20.2204 6.2887 6.3405 6.9230 6.9481 7.0476 6.8733 7.2042 7.7019 7.8654 9.2761
0.6266 0.7529 0.7928 2.2712 2.8817 3.4759 1.1913 2.9241 4.5530 0.4525 1.0647 0.0853 0.2483 1.1533 6.8595 0.8873 9.2000 17.2951 0.3612 53.9397 46.7329 17.2357 16.9299 0.4683 6.9778 1.0113 8.0598 0.5322 73.6349 2.8791 38.4333 1.7080 32.7216 4.4192 0.6325 3.0465 25.7552 96.2240 20.6472 5.8307 2.0211 10.5853 1.3856 1.1996 19.0202 14.3291 6.1378 25.5196 86.9078 4.8170 19.3453 43.8490 0.7428 60.5169 23.8789 23.9354 8.1578 6.0631 0.9029 68.6604
3.1011 3.4370 3.4691 1.9221 5.6035 2.1704 0.5491 0.8259 1.1472 0.2485 1.3705 6.2736 12.3204 3.5607 2.4913 2.1975 2.9658 9.3423 13.4035 9.1833 2.7827 5.3332 17.4196 8.1240 0.2752 5.0389 8.5528 6.9044 7.6941 10.0239 4.1581 4.8034 2.8359 1.2262 6.5010 1.5936 26.5090 23.6203 12.5195 3.3088 5.0357 62.8970 18.6199 6.2860 7.2416 19.8543 4.3961 6.6049 92.0953 439.8214 32.5280 192.2109 8.7840 153.6931 59.7983 120.8036 40.6277 44.6636 73.9655 20.1365
0.7476 0.6800 0.7319 0.7315 0.7061 0.7370 0.6144 0.7015 0.2244 0.5099 0.5762 0.3051 0.7488 0.5406 0.5534 0.6713 0.4955 0.7413 0.1248 0.7479 0.7492 0.7440 0.7173 0.7201 0.6053 0.6770 0.6437 0.2250 0.0805 0.2249 0.3934 0.7445 0.2673 0.7060 0.5412 0.6638 0.5644 0.7135 0.6331 0.6950 0.6667 0.0967 0.7462 0.7379 0.6370 0.7483 0.7500 0.5525 0.3422 0.3127 0.0249 0.0373 0.6443 0.7012 0.7482 0.1663 0.5861 0.7487 0.2833 0.2008
0.8556 0.8095 0.8452 0.8449 0.8277 0.8486 0.7611 0.8246 0.3665 0.6754 0.7311 0.4675 0.8564 0.7018 0.7125 0.8033 0.6626 0.8515 0.2219 0.8558 0.8566 0.8532 0.8354 0.8372 0.7541 0.8074 0.7832 0.3673 0.1490 0.3672 0.5647 0.8536 0.4219 0.8277 0.7023 0.7979 0.7216 0.8328 0.7753 0.8201 0.8000 0.1763 0.8547 0.8492 0.7783 0.8560 0.8571 0.7117 0.5099 0.4764 0.0485 0.0719 0.7836 0.8244 0.8560 0.2851 0.7390 0.8563 0.4415 0.3344
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
6 6 6 6 7 7 6 7 6 7 6 6 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 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
750.45531 3294.94715 3579.43385
0.99998 0.00150 0.00634 -0.00137 0.99979 -0.02069 -0.00637 0.02068 0.99977
1
0.11542 0.02629 0.02420
2.40486 0.54773 0.50420
73.38 126.74 164.74 262.37 268.78 314.52 346.14 468.48 475.23 562.14 587.29 736.83 750.82 807.80 876.41 916.19 1013.87 1089.96 1116.71 1163.83 1196.35 1230.07 1356.05 1441.11 1475.46 1522.02 1529.73 1626.96 1631.01 1635.95 1725.80 1775.12 1818.95 1847.71 1933.27 2038.72 2080.01 2134.58 2173.27 2257.37 2272.16 2297.90 2341.57 2347.74 2358.53 2371.34 2378.31 2405.30 2477.62 3506.31 4613.46 4625.64 4695.95 4705.81 4739.17 4777.67 4800.31 4921.45 5007.43 5274.10
0.189169
0.199651
0.200595
0.152614
-526.215261
-526.204779
-526.203835
-526.251816
1.609291D-04
MUNgauss
RevisionA2.1
retrievium
03-Nov-2022
GDB_13 Smiles: CC1(C)CN1N1C=NC(=N1)C#C
RHF
6-31G(d)
(6D,10F)
C1
162.090546
|X|Y|Z|
41.710270 18.677994 14.033955
22.194793
8
|36.858105|
|12.582946|36.858105|
|7.483346|12.586799|36.858105|
|7.352961|12.875220|7.373264|36.858105|
|7.359978|12.984435|7.695750|13.144266|53.358707|
|6.509376|7.726392|5.192919|7.870063|18.783132|53.358707|
|4.866569|5.396818|4.262465|5.202875|10.855945|19.552172|36.858105|
|4.151455|4.219919|3.393422|4.187734|7.459165|12.025688|14.649640|53.358707|
|4.605479|4.476208|3.405380|4.651921|7.614308|12.610034|9.209697|19.194446|36.858105|
|6.062820|6.069572|4.170240|6.682811|10.723553|19.465999|8.751236|11.610712|14.619121|53.358707|
|3.726194|3.487735|2.771771|3.650665|5.462982|7.520688|5.507694|10.570796|13.264658|10.811755|36.858105|
|3.144256|2.917697|2.390310|3.050761|4.403753|5.615555|4.117132|7.311533|7.266717|7.419705|16.070558|36.858105|
|17.541700|8.871941|6.740393|5.561297|8.666279|8.291273|5.029600|5.849544|4.516783|7.426629|3.650942|3.085174|0.500000|
|17.649185|8.766720|5.461091|6.993090|9.173479|9.428894|5.018376|6.171971|5.476932|10.382856|4.472485|3.718100|0.301088|0.500000|
|17.555673|8.940599|6.928061|6.089606|7.488026|6.534173|3.814861|4.579224|3.708263|6.322444|3.171503|2.772826|0.301794|0.301410|0.500000|
|6.736174|8.872185|17.546700|6.180584|7.689580|5.696682|3.489661|3.962483|2.983163|4.910505|2.513868|2.210165|0.163683|0.139492|0.203883|0.500000|
|5.477670|8.846480|17.592216|7.023794|10.059372|6.643609|4.126730|4.432019|3.207467|5.256806|2.616888|2.264973|0.139608|0.122815|0.140851|0.300523|0.500000|
|6.844993|8.860355|17.546343|5.531220|8.806137|6.630361|4.282481|4.641535|3.312196|5.292109|2.701440|2.334609|0.201284|0.139380|0.173240|0.301011|0.301213|0.500000|
|5.406940|8.525286|6.787924|17.703464|12.166924|7.966453|4.350910|4.853081|3.828006|6.864982|3.121570|2.676082|0.121816|0.140713|0.135729|0.165699|0.206502|0.139619|0.500000|
|6.917360|8.686953|5.435363|17.747358|12.026087|10.033415|4.887694|5.746460|5.066974|10.500666|4.089258|3.417139|0.143372|0.213860|0.162737|0.136650|0.140680|0.122510|0.291295|0.500000|
|4.333640|4.989772|4.313238|4.650941|9.674014|12.330570|17.823528|12.203975|6.108524|8.126146|4.258434|3.388766|0.127707|0.117406|0.097303|0.096612|0.119784|0.124616|0.113608|0.116059|0.500000|
|2.734838|2.536074|2.124315|2.645215|3.747586|4.576139|3.357204|5.686739|5.178706|5.747928|8.495416|18.022870|0.074662|0.088355|0.068596|0.055253|0.056108|0.057738|0.065617|0.081822|0.079505|0.500000|
525.807192
-2577.010798
922.108025
-71.583706
-1200.679288
674.274854
-526.404433
2.001136
4048000000000000
41B1FCAE03FFFFFD
414AC57A11DC476D
4093500000000001
C026000000000000
41433421FFFFFFFF