Version2.5
2022-11-24T05:15:47Z
10.1021/ja902302h
Gaussian16
RevisionB.01
SBUNGAY
16-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1NN=CCCCNC1C#N
RHF
6-31G(d)
(6D,7F)
CC1NN=CCCCNC1C#N
C1[X(C8H14N4)]
72
C1
208
CC1NN=CCCCNC1C#N
N#CC1NCCCC=NNC1C
CC1NN=CCCCNC1C#N
InChIKey=BDPBVAXBQGVOHV-UHFFFAOYSA-N
InChI=1S/C8H14N4/c1-7-8(6-9)10-4-2-3-5-11-12-7/h5,7-8,10,12H,2-4H2,1H3
InChI=1/C8H14N4/c1-7-8(6-9)10-4-2-3-5-11-12-7/h5,7-8,10,12H,2-4H2,1H3
CC1NN=CCCCNC1C#N
C01[X(C8H14N4)]
72
C1
208
CC1NN=CCCCNC1C#N
NC[C@@H]1NCCCCNN[C@H]1C
C[C@@H]1NNCCCCN[C@H]1CN
InChIKey=RZPIQWHZBJDPNF-YUMQZZPRSA-N
InChI=1S/C8H20N4/c1-7-8(6-9)10-4-2-3-5-11-12-7/h7-8,10-12H,2-6,9H2,1H3/t7-,8-/m0/s1
InChI=1/C8H20N4/c1-7-8(6-9)10-4-2-3-5-11-12-7/h7-8,10-12H,2-6,9H2,1H3/t7-,8-/m0/s1
5.282146619225D+02
-2.699123000923D+03
732.6576098683
-528.8017917
1-A
2068.5914
45
163
208
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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|A|A|A|
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13.69973
5.1847 -1.1060 1.8163
5.6039
|XX|YY|ZZ|XY|XZ|YZ|
-82.0565 -80.6765 -70.9048 -8.4694 -6.5820 -4.7793
|XX|YY|ZZ|XY|XZ|YZ|
-4.1772 -2.7972 6.9745 -8.4694 -6.5820 -4.7793
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
91.4157 -14.7828 2.1178 5.8931 23.5665 14.8914 6.7788 -2.2314 7.9278 4.4247
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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0
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166.12185
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 67 68 69 70 71 72
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
83.0539 93.9042 162.2943 198.0271 219.5770 229.8859 235.0934 270.2422 303.0558 326.3681 394.4820 440.7145 471.4930 513.4943 562.3114 567.6916 614.1738 701.4867 724.7056 747.0544 799.1567 904.8042 947.2969 976.3757 988.5653 995.8047 1035.7117 1054.3208 1082.8530 1118.0196 1134.1575 1185.1972 1203.7926 1217.6353 1252.5891 1273.7945 1287.8371 1318.4345 1399.3786 1409.6966 1428.3264 1463.6447 1491.4782 1501.3160 1511.6417 1524.8685 1545.1763 1562.8139 1570.4684 1633.1223 1636.5028 1640.1182 1646.2268 1680.2201 1692.2342 1699.5771 1922.7117 2613.3837 3136.1571 3206.7703 3218.5279 3227.2889 3233.7148 3248.0062 3258.3803 3264.1464 3275.0099 3307.1590 3307.8341 3340.0696 3783.5813 3830.8574
5.0396 3.2775 5.2467 3.3261 2.7136 1.2749 3.9320 3.0861 2.4428 3.2675 3.1341 2.6410 2.9945 2.4791 3.2059 4.5135 6.2594 2.3618 2.8547 1.6725 2.5775 2.0339 1.7584 2.3308 1.6262 1.5032 2.8731 2.5186 2.1172 2.5751 2.0819 2.3700 2.3757 2.4100 2.0934 2.2118 2.0240 1.5397 1.1167 1.2202 1.2268 1.2777 1.3792 1.3959 1.2886 1.3149 1.3298 1.3876 1.2755 1.0974 1.0886 1.0826 1.0689 1.1453 1.1084 1.2477 8.7515 12.7051 1.0770 1.0689 1.0679 1.0821 1.0399 1.0880 1.0964 1.0994 1.0848 1.1042 1.1040 1.0914 1.0758 1.0733
0.0205 0.0170 0.0814 0.0768 0.0771 0.0397 0.1280 0.1328 0.1322 0.2051 0.2874 0.3022 0.3922 0.3851 0.5972 0.8570 1.3911 0.6847 0.8833 0.5499 0.9699 0.9810 0.9297 1.3092 0.9363 0.8782 1.8158 1.6495 1.4627 1.8964 1.5778 1.9615 2.0283 2.1052 1.9352 2.1145 1.9778 1.5769 1.2884 1.4287 1.4746 1.6127 1.8076 1.8537 1.7348 1.8014 1.8707 1.9967 1.8535 1.7245 1.7178 1.7158 1.7068 1.9051 1.8700 2.1234 19.0616 51.1253 6.2408 6.4762 6.5179 6.6401 6.4071 6.7623 6.8587 6.9014 6.8555 7.1155 7.1172 7.1736 9.0742 9.2801
3.5191 0.7145 5.4208 2.2195 1.2121 0.9632 3.8843 1.8207 6.0182 3.5102 3.3367 11.1108 16.9024 11.4203 4.6448 4.8862 1.8886 36.9434 1.5674 86.5488 8.2204 93.7017 5.5627 5.1742 9.4714 5.2505 0.0819 17.1766 20.1708 0.3848 13.5988 7.2026 28.6383 12.6207 6.5266 37.7731 50.4880 18.2731 7.7710 14.0599 5.4195 0.7560 2.4805 1.7320 3.1840 16.1870 4.0613 31.4888 6.9794 8.5838 6.3618 7.5068 2.2072 10.7240 1.6333 16.1516 11.0564 11.6738 78.4386 25.2023 12.3214 26.9564 17.5486 38.2465 27.9630 58.0282 9.7523 23.4315 27.5028 31.9039 5.7864 2.1224
1.7000 0.3136 1.9268 1.3944 0.9132 1.0272 1.6174 1.1479 1.7688 1.9655 1.9485 2.2799 2.8930 2.8467 2.6961 4.1581 2.5058 3.3869 2.8234 2.1263 8.3470 3.8402 2.9721 0.9004 1.8237 2.4659 5.3404 3.0620 3.9132 4.1989 6.0444 4.5939 6.2621 2.4533 3.0820 3.3340 2.4950 2.1974 7.7964 2.4336 5.4558 0.2196 3.6545 12.3245 2.8913 11.3243 11.5719 3.5084 1.1182 7.6156 7.9598 14.9518 13.6712 7.4757 8.5032 0.3997 46.5757 73.2970 53.4279 66.2547 70.6627 56.8593 125.3587 101.3426 69.4728 140.0783 30.4186 69.7401 46.0333 123.2923 63.3789 34.5817
0.7433 0.6539 0.7107 0.7495 0.7333 0.7169 0.5632 0.6123 0.6201 0.1533 0.6511 0.4266 0.1700 0.7480 0.5597 0.3475 0.2735 0.2427 0.4818 0.4128 0.1114 0.1464 0.2166 0.4715 0.6837 0.6345 0.6849 0.5695 0.2692 0.6499 0.7391 0.6347 0.2167 0.5089 0.3275 0.7494 0.6970 0.7499 0.7500 0.7070 0.4458 0.3296 0.6889 0.7435 0.7279 0.7451 0.5831 0.7244 0.6575 0.7494 0.7447 0.7427 0.7468 0.5222 0.7220 0.7376 0.2611 0.2638 0.2204 0.1643 0.2681 0.5334 0.0162 0.3722 0.3299 0.3982 0.1689 0.7039 0.7317 0.2832 0.2802 0.1547
0.8528 0.7907 0.8309 0.8568 0.8461 0.8351 0.7206 0.7596 0.7655 0.2659 0.7887 0.5981 0.2906 0.8558 0.7177 0.5158 0.4295 0.3906 0.6503 0.5843 0.2004 0.2554 0.3561 0.6409 0.8121 0.7764 0.8130 0.7257 0.4242 0.7878 0.8500 0.7765 0.3562 0.6745 0.4934 0.8567 0.8214 0.8571 0.8571 0.8283 0.6167 0.4958 0.8158 0.8529 0.8425 0.8539 0.7367 0.8402 0.7933 0.8567 0.8536 0.8524 0.8550 0.6861 0.8386 0.8490 0.4141 0.4175 0.3612 0.2822 0.4228 0.6957 0.0319 0.5425 0.4961 0.5695 0.2889 0.8262 0.8451 0.4414 0.4377 0.2680
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 25 26
6 6 7 7 6 6 6 6 7 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783
1303.93532 2307.52906 3135.08867
0.99731 -0.07231 -0.01157 0.07214 0.99728 -0.01483 0.01261 0.01395 0.99982
1
0.06643 0.03754 0.02763
1.38407 0.78211 0.57566
119.50 135.11 233.51 284.92 315.92 330.75 338.25 388.82 436.03 469.57 567.57 634.09 678.37 738.80 809.04 816.78 883.66 1009.28 1042.69 1074.84 1149.81 1301.81 1362.95 1404.79 1422.32 1432.74 1490.16 1516.93 1557.98 1608.58 1631.80 1705.23 1731.99 1751.91 1802.20 1832.71 1852.91 1896.93 2013.39 2028.24 2055.04 2105.86 2145.90 2160.06 2174.92 2193.95 2223.16 2248.54 2259.55 2349.70 2354.56 2359.76 2368.55 2417.46 2434.75 2445.31 2766.35 3760.08 4512.23 4613.83 4630.74 4643.35 4652.59 4673.16 4688.08 4696.38 4712.01 4758.26 4759.24 4805.62 5443.73 5511.75
0.243413
0.254233
0.255177
0.207261
-528.558379
-528.547558
-528.546614
-528.594531
1.607144D-04
MUNgauss
RevisionA2.1
retrievium
24-Nov-2022
GDB_13 Smiles: CC1NN=CCCCNC1C#N
RHF
6-31G(d)
(6D,10F)
C1
166.121847
|X|Y|Z|
34.644604 25.766208 14.296777
23.369069
9
|36.858105|
|12.472089|36.858105|
|7.784539|13.068043|53.358707|
|6.593074|8.085810|18.729670|53.358707|
|4.675967|5.733617|11.381500|20.664365|36.858105|
|3.780505|4.878818|9.010394|10.381298|12.573693|36.858105|
|3.667868|4.899759|7.674161|7.882029|7.374758|12.294527|36.858105|
|4.030466|5.859801|8.253562|7.120730|5.547037|7.207870|12.350367|36.858105|
|4.884314|7.390683|8.304170|7.054397|4.962593|5.319885|7.473339|13.069879|53.358707|
|7.390616|12.249905|10.495251|8.994801|5.564771|5.058817|5.945187|7.404837|17.809395|36.858105|
|6.564684|7.604951|6.877248|6.232967|3.977953|3.658045|4.239357|5.079989|11.086525|12.848837|36.858105|
|5.335377|5.462321|5.363326|4.970191|3.240074|3.010734|3.433470|3.999898|7.829798|7.278503|16.786045|53.358707|
|17.594781|8.909124|9.970728|8.289314|4.351195|3.539112|3.297705|3.572015|5.516321|5.449191|4.833672|5.656463|0.500000|
|17.595643|8.792842|7.659861|6.623887|3.772844|3.214432|3.243273|3.647252|6.219458|6.595432|7.167659|8.626631|0.300544|0.500000|
|17.593027|8.772512|9.287715|9.652128|5.008016|3.823335|3.655195|3.784159|6.131273|6.797770|6.121924|6.902278|0.302011|0.300927|0.500000|
|8.895740|17.546392|12.699072|7.970640|4.592322|4.263344|4.385171|5.654356|9.480649|8.840051|6.673369|7.003482|0.212296|0.216134|0.173431|0.500000|
|5.741252|9.354840|26.006199|13.009085|7.973876|7.906769|6.731525|7.666043|9.062685|7.030076|4.634720|4.978464|0.151633|0.127549|0.141897|0.232171|0.500000|
|4.067434|4.559603|8.016558|13.177160|17.669510|8.587479|5.851266|4.396883|5.543527|4.565233|3.521242|4.027246|0.106097|0.093598|0.126429|0.103877|0.153066|0.500000|
|3.654470|4.760830|9.201237|9.139446|8.802060|17.519974|8.766134|6.840558|6.675874|4.574878|3.376943|3.828519|0.098167|0.086581|0.099037|0.121710|0.250611|0.176906|0.500000|
|3.173993|3.848578|6.670625|7.872040|9.056320|17.575058|8.883321|5.443445|5.750967|4.021687|3.105321|3.584962|0.083655|0.076549|0.090706|0.095365|0.153030|0.227208|0.306078|0.500000|
|3.041645|3.873875|5.944864|6.052542|5.546206|8.967346|17.560844|8.968267|7.796091|4.531916|3.518374|4.038668|0.077555|0.076411|0.084045|0.100327|0.143207|0.132916|0.206419|0.231938|0.500000|
|3.684463|4.713400|6.892638|7.591705|6.985113|8.737353|17.555964|8.812959|9.928381|6.229255|4.577824|5.041112|0.089833|0.091474|0.105583|0.113460|0.152721|0.168179|0.172644|0.204073|0.305452|0.500000|
|4.072630|6.033319|9.209262|7.198249|5.408942|7.045986|8.794080|17.448405|12.103049|6.334895|4.473188|4.902158|0.104079|0.101030|0.102923|0.173320|0.271844|0.116638|0.219245|0.145829|0.198643|0.174922|0.500000|
|3.353121|4.528198|6.174744|5.497415|4.309103|5.536786|8.927296|17.583316|12.862358|5.614916|4.405969|4.981716|0.083771|0.087189|0.087881|0.126564|0.151617|0.100631|0.149791|0.128411|0.239060|0.197916|0.306459|0.500000|
|4.552547|6.559324|7.092717|5.832116|4.028988|4.308824|5.620555|9.423662|25.934167|9.382161|7.751700|8.044145|0.107059|0.124321|0.112596|0.196200|0.157640|0.094200|0.116078|0.098525|0.131187|0.148995|0.217544|0.236551|0.500000|
|6.635231|8.883742|9.847668|10.453918|6.714064|5.616691|6.451457|6.626826|12.515583|17.599240|9.232832|8.348230|0.139664|0.157790|0.197279|0.175093|0.177978|0.156460|0.131174|0.125061|0.132796|0.208762|0.153077|0.141442|0.182776|0.500000|
528.214244
-2699.121337
982.496145
-73.048508
-1261.459456
732.657663
-528.801793
2.001112
4010000000000004
41A1A264BBFFFFFF
4139147882D82D81
40D3233FFFFFFFFE
401BFFFFFFFFFFFF
41681BFF7FFFFFFF