Version2.5
2022-11-16T09:37:50Z
10.1021/ja902302h
Gaussian16
RevisionB.01
SBUNGAY
04-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1(N)C=NN=CN(C=C)C1=C
RHF
6-31G(d)
(6D,7F)
CC1(N)C=NN=CN(C=C)C1=C
C1[X(C8H12N4)]
66
C1
204
CC1(N)C=NN=CN(C=C)C1=C
CC1(N)C=NN=CN(C1=C)C=C
CC1(N)C=NN=CN(C=C)C1=C
InChIKey=GOBPSQAODYYSLE-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-4-12-6-11-10-5-8(3,9)7(12)2/h4-6H,1-2,9H2,3H3
InChI=1/C8H12N4/c1-4-12-6-11-10-5-8(3,9)7(12)2/h4-6H,1-2,9H2,3H3
CC1(N)C=NN=CN(C=C)C1=C
C01[X(C8H12N4)]
66
C1
204
CC1(N)C=NN=CN(C=C)C1=C
CCN1CNNC[C@@]([C@@H]1C)(C)N
CCN1CNNC[C@@](C)(N)[C@@H]1C
InChIKey=XZXGNCHMNIRZSN-JGVFFNPUSA-N
InChI=1S/C8H20N4/c1-4-12-6-11-10-5-8(3,9)7(12)2/h7,10-11H,4-6,9H2,1-3H3/t7-,8+/m0/s1
InChI=1/C8H20N4/c1-4-12-6-11-10-5-8(3,9)7(12)2/h7,10-11H,4-6,9H2,1-3H3/t7-,8+/m0/s1
5.269753826628D+02
-2.675520860070D+03
722.1457365924
-527.5961481
1-A
1870.8556
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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11.93346
0.0344 -3.0669 0.8450
3.1814
|XX|YY|ZZ|XY|XZ|YZ|
-58.2833 -85.2449 -72.5501 -0.0417 2.4416 4.0907
|XX|YY|ZZ|XY|XZ|YZ|
13.7428 -13.2188 -0.5240 -0.0417 2.4416 4.0907
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-10.8043 -33.2228 2.7385 13.0302 0.4376 -4.8914 -7.8908 -3.9478 3.0380 -8.6145
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
64.5867 123.6018 148.8153 208.2546 220.0205 235.2655 288.4264 347.9252 355.6706 370.9020 404.3885 449.3838 456.4600 470.9693 520.6852 586.5454 676.7552 696.2847 741.7518 785.4804 821.8274 830.5731 845.7225 968.3771 980.1432 1012.2046 1021.1339 1035.7877 1048.6263 1067.5583 1078.5617 1100.2385 1132.2789 1139.6450 1156.7991 1242.7002 1303.1166 1345.8037 1401.7063 1413.0583 1463.6050 1475.2045 1529.3671 1567.0606 1583.5099 1585.6577 1590.3650 1640.4369 1646.1899 1833.6162 1854.0186 1861.7761 1870.4755 1915.1243 3222.1410 3288.3711 3318.4216 3346.0290 3350.3660 3378.0581 3387.9941 3398.0777 3436.8322 3474.5538 3730.7719 3816.8776
3.7507 2.8869 3.8579 4.1830 1.0962 2.6240 3.4927 2.3887 1.2125 3.5777 3.7045 3.0069 2.8671 4.1606 3.3123 2.8820 3.6924 3.6305 5.0293 1.6066 1.3345 2.4802 4.1183 1.9221 2.0041 1.7325 1.5207 2.0585 1.3521 2.4055 1.5864 1.4697 1.3115 1.3402 1.7020 2.4042 2.6101 4.3365 3.7349 2.2750 2.1415 1.3240 1.3758 1.2459 1.2691 1.2020 1.2939 1.0603 1.0501 1.3555 2.7438 6.8007 4.7950 10.8714 1.0443 1.0990 1.0908 1.0990 1.0605 1.0699 1.0917 1.0919 1.1174 1.1140 1.0509 1.0942
0.0092 0.0260 0.0503 0.1069 0.0313 0.0856 0.1712 0.1704 0.0904 0.2900 0.3569 0.3578 0.3520 0.5437 0.5291 0.5842 0.9964 1.0370 1.6303 0.5840 0.5310 1.0081 1.7355 1.0620 1.1344 1.0458 0.9343 1.3012 0.8760 1.6153 1.0873 1.0482 0.9907 1.0256 1.3419 2.1876 2.6114 4.6276 4.3236 2.6764 2.7028 1.6976 1.8960 1.8026 1.8749 1.7806 1.9282 1.6811 1.6767 2.6852 5.5570 13.8887 9.8843 23.4926 6.3881 7.0016 7.0773 7.2494 7.0139 7.1930 7.3832 7.4284 7.7763 7.9235 8.6182 9.3922
1.4509 3.9380 0.3541 1.4777 1.2349 1.8717 3.5891 3.4299 39.9785 17.8813 9.3140 1.9620 17.7524 2.8610 3.3793 9.0963 5.1408 1.2379 11.5655 9.0654 2.2554 17.8896 5.0397 17.2453 107.5262 3.1204 70.6396 71.8272 45.5061 6.7563 3.9036 6.4448 26.0930 7.8518 6.8641 10.6111 15.5564 78.2115 180.9950 57.3095 47.5986 37.2423 46.7989 6.1989 5.3874 2.7905 13.0425 4.0466 2.3451 74.9119 44.7879 361.9223 56.4985 36.6989 31.1729 21.8902 33.7984 11.6310 1.5451 4.1731 5.6557 9.7284 11.9183 2.5782 2.1843 2.0845
1.4769 5.4954 6.0408 1.6632 0.6964 3.8081 0.8682 2.9830 2.6936 3.5097 2.4942 1.8789 2.1650 3.5451 1.5201 4.0782 2.1861 11.1663 1.7776 9.4006 4.3030 6.9511 3.9155 2.8088 1.9428 1.7965 1.8878 2.4032 3.1414 2.3286 4.7223 3.3322 4.5219 2.7291 4.5923 1.4815 1.6237 3.8754 7.9522 6.1840 3.9879 40.6727 10.2268 1.6592 22.2722 11.9843 21.4908 12.8856 10.0124 14.6201 53.0027 28.9720 91.8461 56.7253 101.3060 64.2504 116.1844 29.3107 71.2508 57.1239 73.2337 79.1441 81.9486 51.8146 89.2349 63.6356
0.7351 0.7487 0.7286 0.7374 0.7440 0.6283 0.7180 0.7480 0.7018 0.6660 0.5600 0.5718 0.7260 0.5986 0.1236 0.0702 0.7500 0.1467 0.6232 0.7000 0.7383 0.1072 0.3264 0.2543 0.3745 0.7410 0.7235 0.6987 0.7500 0.7485 0.7497 0.7458 0.6376 0.5860 0.7066 0.7094 0.3908 0.7342 0.3935 0.7486 0.5206 0.4160 0.6190 0.6458 0.4666 0.2626 0.5189 0.6819 0.7498 0.3571 0.1404 0.7494 0.2141 0.1289 0.0834 0.7155 0.2917 0.7096 0.1426 0.3565 0.2022 0.2020 0.5886 0.6676 0.1165 0.7143
0.8473 0.8563 0.8430 0.8489 0.8532 0.7717 0.8358 0.8559 0.8248 0.7995 0.7180 0.7276 0.8412 0.7489 0.2199 0.1312 0.8571 0.2559 0.7679 0.8235 0.8494 0.1936 0.4922 0.4055 0.5449 0.8512 0.8396 0.8226 0.8571 0.8562 0.8569 0.8544 0.7787 0.7390 0.8281 0.8300 0.5620 0.8467 0.5647 0.8562 0.6847 0.5876 0.7647 0.7848 0.6363 0.4160 0.6832 0.8109 0.8570 0.5263 0.2462 0.8567 0.3527 0.2283 0.1540 0.8342 0.4516 0.8301 0.2496 0.5256 0.3364 0.3362 0.7410 0.8006 0.2088 0.8333
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 7 7 6 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 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
1241.00411 2033.51800 2717.82202
0.99995 0.00839 -0.00556 -0.00825 0.99968 0.02395 0.00576 -0.02390 0.99970
1
0.06979 0.04259 0.03187
1.45426 0.88750 0.66404
92.93 177.84 214.11 299.63 316.56 338.49 414.98 500.59 511.73 533.65 581.82 646.56 656.74 677.62 749.15 843.91 973.70 1001.80 1067.22 1130.13 1182.43 1195.01 1216.81 1393.28 1410.21 1456.34 1469.18 1490.27 1508.74 1535.98 1551.81 1583.00 1629.10 1639.69 1664.38 1787.97 1874.89 1936.31 2016.74 2033.08 2105.80 2122.49 2200.42 2254.65 2278.32 2281.41 2288.18 2360.22 2368.50 2638.16 2667.52 2678.68 2691.20 2755.44 4635.94 4731.23 4774.47 4814.19 4820.43 4860.27 4874.57 4889.08 4944.83 4999.11 5367.75 5491.64
0.215658
0.226230
0.227174
0.179947
-527.380490
-527.369918
-527.368974
-527.416201
1.584001D-04
MUNgauss
RevisionA2.1
retrievium
16-Nov-2022
GDB_13 Smiles: CC1(N)C=NN=CN(C=C)C1=C
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
32.450918 24.301507 15.073855
22.822410
7
|36.858105|
|12.389535|36.858105|
|7.939189|13.086241|53.358707|
|7.441364|12.446714|10.604645|36.858105|
|5.905755|7.544244|7.075519|15.212926|53.358707|
|5.887187|6.419671|5.944667|8.290383|18.873865|53.358707|
|6.016055|6.526652|5.964662|6.720464|11.197154|20.588675|36.858105|
|6.237673|7.633216|6.957849|6.463345|8.788934|10.718871|13.782345|53.358707|
|4.569731|5.071978|5.380673|4.384595|6.035074|7.214440|8.012118|18.347264|36.858105|
|3.570219|3.885630|4.305732|3.646319|5.275959|6.371758|6.538839|10.700033|14.450119|36.858105|
|7.476079|12.440146|10.664187|7.787266|8.533430|8.370627|7.651684|18.315445|7.880905|5.303035|36.858105|
|5.319289|7.576995|9.452965|5.482639|6.200188|5.959195|5.196287|10.866161|6.819273|4.872907|14.384993|36.858105|
|17.588392|8.869375|9.953674|5.474563|6.146321|6.269419|5.006053|7.632551|4.497464|3.471549|6.846697|5.409893|0.500000|
|17.660540|8.668269|7.698831|6.693063|8.408604|9.715399|7.444952|9.219666|4.929485|3.895893|6.704537|4.721311|0.300041|0.500000|
|17.549080|8.825157|9.843075|6.790937|7.388293|6.937828|4.797986|6.410918|3.644905|2.995127|5.474431|4.265811|0.300760|0.303301|0.500000|
|7.540752|9.387553|25.885855|7.000574|6.588048|5.488167|3.882227|5.768174|3.363410|2.775588|5.753171|5.094274|0.188560|0.149293|0.227542|0.500000|
|5.778547|9.309621|25.872572|7.381438|6.844396|5.552003|4.049607|6.439052|3.744465|3.071367|7.058391|6.952153|0.148328|0.126621|0.150019|0.327832|0.500000|
|5.739309|8.599190|10.315599|17.641150|13.181244|7.992668|4.918625|6.636814|3.618710|3.108794|5.946566|4.796456|0.126671|0.139893|0.159379|0.203888|0.225628|0.500000|
|4.948534|4.912757|4.885554|4.914183|7.972616|13.145434|17.741143|12.672895|7.748558|7.175576|5.686360|4.300894|0.121211|0.174116|0.113581|0.090403|0.092452|0.107540|0.500000|
|4.499761|4.817753|5.394594|3.919531|5.152725|5.875013|5.929861|12.405374|17.735229|9.117995|7.304517|7.172703|0.131503|0.130017|0.099491|0.093327|0.102833|0.092136|0.160613|0.500000|
|3.363046|3.699574|4.081717|3.697046|5.617068|6.915557|6.810222|9.525797|9.058355|17.726253|4.787584|4.280806|0.088174|0.102836|0.080028|0.074033|0.081896|0.087891|0.211234|0.173006|0.500000|
|3.086024|3.274309|3.778202|3.045563|4.333470|5.076374|4.849282|7.661913|9.183993|17.744279|4.281784|4.167004|0.085484|0.092397|0.073240|0.068456|0.075022|0.073972|0.149494|0.219276|0.288277|0.500000|
|4.237987|5.443380|6.804288|4.413816|5.364073|5.351971|4.769566|9.809517|7.547776|5.562937|9.072840|17.759781|0.120542|0.110298|0.097209|0.110028|0.142042|0.109342|0.115083|0.227540|0.130785|0.134866|0.500000|
|5.008450|6.968115|10.957385|5.018992|5.484974|5.081814|4.176545|7.718255|4.972268|3.835696|9.148019|17.818882|0.146095|0.117882|0.116822|0.159015|0.235040|0.130133|0.098360|0.148609|0.095933|0.094790|0.289061|0.500000|
526.975065
-2675.518821
971.118233
-72.316413
-1249.741936
722.145789
-527.596147
2.001179
400FFFFFFFFFFFF4
41ACC9C305FFFFFF
4144EFD3A745D174
4075600000000000
4000000000000000
4116B5E400000000