Version2.6
2023-02-13T10:33:55Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
27-Jan-2023
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CCC1=NN=CCC=CC1C#C
RHF
6-31G(d)
(6D,7F)
CCC1=NN=CCC=CC1C#C
C1[X(C10H12N2)]
66
C1
204
CCC1=NN=CCC=CC1C#C
CCC1=NN=CCC=CC1C#C
CCC1=NN=CCC=CC1C#C
InChIKey=MAUNBLHFFCWRRH-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-3-9-7-5-6-8-11-12-10(9)4-2/h1,5,7-9H,4,6H2,2H3
InChI=1/C10H12N2/c1-3-9-7-5-6-8-11-12-10(9)4-2/h1,5,7-9H,4,6H2,2H3
CCC1=NN=CCC=CC1C#C
C01[X(C10H12N2)]
66
C1
204
CCC1=NN=CCC=CC1C#C
CC[C@H]1NNCCCC[C@H]1CC
CC[C@@H]1CCCCNN[C@@H]1CC
InChIKey=PZCYEOYBFPPVMQ-NXEZZACHSA-N
InChI=1S/C10H22N2/c1-3-9-7-5-6-8-11-12-10(9)4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChI=1/C10H22N2/c1-3-9-7-5-6-8-11-12-10(9)4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1
4.939581355847D+02
-2.490724233011D+03
669.0654883630
-494.4177669
1-A
1982.6115
43
161
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|
-15.59466 -15.58668 -11.28651 -11.27635 -11.27319 -11.24814 -11.24641 -11.24599 -11.23684 -11.22740 -11.22722 -11.20615 -1.33723 -1.16409 -1.11876 -1.05362 -1.03236 -0.99137 -0.95491 -0.87623 -0.82790 -0.76982 -0.73733 -0.69938 -0.68455 -0.66016 -0.64071 -0.62373 -0.62068 -0.59844 -0.58628 -0.56216 -0.54230 -0.51732 -0.50627 -0.49525 -0.47519 -0.45371 -0.40651 -0.39505 -0.38146 -0.37131 -0.36059
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.15964 0.16563 0.17880 0.22200 0.22695 0.23451 0.25023 0.26892 0.28139 0.28475 0.29371 0.31809 0.32194 0.32874 0.33655 0.34772 0.36988 0.38412 0.40181 0.42123 0.42626 0.47854 0.48445 0.49035 0.51716 0.56068 0.60073 0.63061 0.63991 0.67061 0.69899 0.72621 0.74725 0.75269 0.77361 0.77743 0.80317 0.82193 0.83656 0.84538 0.85288 0.87076 0.87965 0.89980 0.92417 0.92995 0.94723 0.95083 0.95762 0.96656 0.97103 0.99952 1.01570 1.03983 1.05640 1.07719 1.08624 1.10573 1.11433 1.12486 1.13503 1.13999 1.15388 1.15657 1.17131 1.17687 1.18150 1.18717 1.21763 1.22211 1.22866 1.25182 1.27372 1.29841 1.31545 1.33749 1.34346 1.35520 1.43062 1.46880 1.52485 1.53283 1.57706 1.63403 1.66598 1.68798 1.71347 1.74985 1.76923 1.80124 1.81799 1.83433 1.85249 1.88205 1.89331 1.92275 1.93225 1.96882 2.01764 2.03047 2.06469 2.09390 2.12017 2.14043 2.15035 2.16910 2.22466 2.23754 2.24453 2.27022 2.29336 2.30540 2.31455 2.35180 2.35605 2.40317 2.42636 2.43745 2.50650 2.52036 2.54166 2.58016 2.62405 2.64617 2.66394 2.67503 2.70728 2.72051 2.74538 2.77471 2.78911 2.80221 2.83260 2.87452 2.91334 2.96178 2.96802 2.99048 3.02846 3.08058 3.08393 3.14351 3.26336 3.26992 3.33982 3.41063 3.43209 3.55588 3.83175 4.45310 4.51990 4.55474 4.60349 4.64261 4.67725 4.71514 4.78099 4.86900 4.93599 5.00799 5.25325
14.15606
-0.0648 2.0926 2.3419
3.1413
|XX|YY|ZZ|XY|XZ|YZ|
-60.6240 -73.9283 -75.2871 -1.8264 -3.4643 -2.0263
|XX|YY|ZZ|XY|XZ|YZ|
9.3225 -3.9818 -5.3406 -1.8264 -3.4643 -2.0263
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
4.6796 1.3607 9.6916 8.3791 18.8427 0.9793 -1.7543 4.6492 5.8184 1.6589
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1129.3915 -1023.5864 -397.9125 65.3580 -15.2263 8.8558 9.2030 -10.3125 1.0168 -352.2642 -292.6959 -225.6545 -13.1987 -8.1290 -17.1005
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|
75.0838 99.9648 137.5699 152.5326 191.7658 235.8331 264.2836 266.7857 312.0967 378.3266 415.3571 444.6157 496.5844 558.8687 625.1845 649.5569 696.1500 727.9282 783.4456 800.8963 808.1906 818.6538 859.7766 898.3176 937.2055 1024.2633 1048.8193 1055.3722 1103.0076 1114.5514 1121.7455 1141.7680 1170.6155 1208.3968 1212.5571 1309.7364 1348.6105 1381.4416 1390.7116 1419.0194 1458.6414 1492.9529 1520.8674 1532.1359 1546.4489 1570.7086 1620.0251 1627.5577 1638.8600 1644.9860 1867.9725 1904.0403 1933.4200 2414.9317 3204.8981 3217.2764 3219.0528 3240.9585 3243.3873 3261.9293 3277.2399 3301.6046 3339.9775 3349.9853 3373.6582 3662.9513
2.7164 2.9709 2.3456 3.6802 2.7109 3.4222 2.8767 1.5960 4.2041 3.4395 3.7917 3.1322 3.7977 4.5236 3.5987 3.7184 1.9270 4.9675 3.0435 1.3030 2.8027 1.3275 1.5280 2.0405 2.9422 3.0377 2.0444 1.6282 3.1822 2.6244 1.4032 2.5871 2.5589 2.0606 1.6350 3.0884 1.1670 1.1639 1.2453 1.1702 1.3183 1.4111 1.3761 1.6040 1.3875 1.3316 1.0809 1.0953 1.0417 1.0647 6.7706 9.4523 10.2717 5.6930 1.0628 1.0425 1.0627 1.0978 1.0827 1.1020 1.1005 1.1029 1.0875 1.0921 1.0955 1.1709
0.0090 0.0175 0.0262 0.0504 0.0587 0.1121 0.1184 0.0669 0.2413 0.2901 0.3854 0.3648 0.5518 0.8324 0.8287 0.9244 0.5502 1.5508 1.1006 0.4924 1.0786 0.5242 0.6655 0.9702 1.5226 1.8776 1.3250 1.0685 2.2811 1.9208 1.0403 1.9871 2.0660 1.7728 1.4163 3.1214 1.2505 1.3087 1.4191 1.3883 1.6526 1.8531 1.8753 2.2184 1.9551 1.9356 1.6715 1.7095 1.6484 1.6975 13.9193 20.1901 22.6228 19.5615 6.4317 6.3578 6.4882 6.7941 6.7103 6.9082 6.9642 7.0831 7.1480 7.2207 7.3464 9.2560
0.6313 0.2816 1.1203 0.0906 1.4122 1.8804 1.8215 1.1689 0.3133 7.0054 6.7708 0.9396 1.2797 7.8247 2.1630 1.2069 15.3470 5.7766 6.8929 50.4749 4.2189 44.0247 10.6069 14.6817 3.3308 5.2989 9.7160 6.8267 17.0101 8.3415 1.8229 17.5274 7.2903 8.9431 1.4643 20.7431 6.7108 2.7808 1.7405 1.7331 11.4902 1.1311 4.8266 5.6141 0.7364 0.5496 3.0673 5.4923 5.1893 4.1925 5.5914 36.7726 19.3737 0.4647 28.6952 33.7220 20.7558 9.7879 0.8708 21.3073 45.3029 31.6366 13.8907 38.4292 19.4501 66.8020
1.0475 1.0365 1.0279 5.5187 3.2778 3.0663 3.4909 2.4983 2.6705 2.8703 8.1832 10.8384 3.9037 5.8807 3.0968 3.3179 4.5725 7.1654 1.6915 3.1362 6.6266 3.5302 4.1520 6.3868 3.8009 3.5195 3.1518 2.4358 4.3744 0.9224 2.8340 2.3232 2.6229 3.0065 0.8931 5.7871 2.6682 6.8337 3.5708 9.1510 5.1365 8.2839 12.6134 1.1000 1.4953 3.3285 17.4616 14.1898 21.4675 6.4361 13.1302 9.6399 45.9754 151.1886 38.0498 130.1966 116.9509 82.0701 59.1119 83.2929 66.9158 35.9029 93.6453 156.0289 117.4128 36.6137
0.6992 0.7479 0.5397 0.7441 0.7430 0.7031 0.7287 0.5989 0.3404 0.5829 0.6830 0.6247 0.7337 0.5099 0.1451 0.6381 0.7280 0.3642 0.5688 0.7102 0.2001 0.6715 0.2796 0.1027 0.4527 0.4499 0.7462 0.5533 0.1809 0.7422 0.6516 0.2859 0.3998 0.2566 0.2003 0.6073 0.7496 0.7169 0.4221 0.7446 0.4240 0.7472 0.4398 0.2387 0.7421 0.5940 0.7444 0.6954 0.7497 0.6189 0.2677 0.6263 0.1750 0.2786 0.3631 0.0479 0.0935 0.6396 0.1260 0.6722 0.7284 0.6951 0.5619 0.2757 0.1821 0.2491
0.8230 0.8558 0.7010 0.8533 0.8525 0.8256 0.8430 0.7492 0.5079 0.7365 0.8117 0.7690 0.8464 0.6754 0.2534 0.7790 0.8426 0.5339 0.7252 0.8306 0.3335 0.8035 0.4370 0.1862 0.6233 0.6206 0.8547 0.7124 0.3064 0.8521 0.7890 0.4447 0.5712 0.4084 0.3337 0.7557 0.8569 0.8351 0.5937 0.8536 0.5955 0.8553 0.6109 0.3855 0.8520 0.7453 0.8535 0.8204 0.8570 0.7646 0.4223 0.7702 0.2979 0.4358 0.5328 0.0913 0.1709 0.7802 0.2238 0.8040 0.8429 0.8202 0.7195 0.4323 0.3082 0.3989
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 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 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
1539.78164 2049.62372 2815.75518
0.99683 -0.07933 -0.00541 0.07919 0.99660 -0.02290 0.00720 0.02240 0.99972
1
0.05625 0.04226 0.03076
1.17208 0.88052 0.64094
108.03 143.83 197.93 219.46 275.91 339.31 380.25 383.85 449.04 544.33 597.61 639.70 714.47 804.09 899.50 934.57 1001.60 1047.33 1127.20 1152.31 1162.81 1177.86 1237.03 1292.48 1348.43 1473.69 1509.02 1518.45 1586.98 1603.59 1613.94 1642.75 1684.25 1738.61 1744.60 1884.42 1940.35 1987.59 2000.92 2041.65 2098.66 2148.03 2188.19 2204.40 2225.00 2259.90 2330.85 2341.69 2357.95 2366.77 2687.60 2739.49 2781.76 3474.55 4611.13 4628.94 4631.50 4663.02 4666.51 4693.19 4715.22 4750.27 4805.48 4819.88 4853.94 5270.17
0.214494
0.225163
0.226107
0.178288
-494.203273
-494.192604
-494.191660
-494.239479
1.603857D-04
MUNgauss
RevisionA2.1
retrievium
13-Feb-2023
GDB_13 Smiles: CCC1=NN=CCC=CC1C#C
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
31.328354 26.844579 16.748029
24.150120
8
|36.858105|
|12.492248|36.858105|
|7.457366|12.612296|36.858105|
|6.857876|7.972272|15.176967|53.358707|
|4.596769|5.195909|8.383772|18.893659|53.358707|
|3.930495|4.405820|6.503444|11.533757|20.677624|36.858105|
|4.017436|4.503613|6.120336|9.316682|10.509286|12.612670|36.858105|
|3.857820|4.716305|6.234533|7.786985|7.973002|7.525685|12.556404|36.858105|
|4.098768|5.555065|7.566417|8.033772|7.721119|6.212545|7.437379|14.399681|36.858105|
|4.807007|7.281183|12.429146|10.612037|9.420614|6.228387|5.955019|7.448094|12.460932|36.858105|
|4.295288|6.517012|7.602001|7.140525|6.326390|4.215715|4.124314|5.092704|7.724168|12.914970|36.858105|
|3.715067|5.232705|5.346533|5.496524|4.953468|3.343945|3.295529|3.963605|5.451301|7.158346|16.055720|36.858105|
|17.578009|8.782179|6.726528|9.265629|6.376831|4.186762|4.496971|4.129972|4.130177|4.501710|3.843177|3.298129|0.500000|
|17.599160|8.793182|6.734597|9.544901|6.489257|3.892689|3.741118|3.469769|3.654243|4.413702|3.938910|3.439926|0.302676|0.500000|
|17.549264|8.861874|5.479118|6.738256|4.968527|3.227167|3.345169|3.306914|3.529837|4.006526|3.828316|3.478751|0.300975|0.300819|0.500000|
|8.826846|17.516417|9.009783|8.301011|6.034188|4.051087|4.453574|5.024262|6.038388|6.890227|6.541124|5.391021|0.209778|0.172790|0.213778|0.500000|
|8.843071|17.545705|8.999027|8.484788|6.119848|3.781163|3.718443|3.954466|4.784809|6.568904|7.018597|6.062243|0.172856|0.210163|0.214233|0.305948|0.500000|
|3.233709|3.557416|4.868179|8.059579|13.105583|17.678150|8.546932|5.984932|5.050305|4.975267|3.641558|2.987506|0.094545|0.090247|0.076067|0.092177|0.088131|0.500000|
|3.335063|3.603221|4.540544|6.848228|7.899698|8.981874|17.576343|8.964783|5.662492|4.545496|3.409042|2.829427|0.103779|0.087407|0.079627|0.100288|0.085351|0.221425|0.500000|
|4.727901|4.995392|6.367925|10.034082|9.538620|8.932610|17.537710|8.881476|6.253791|5.399809|3.898035|3.161433|0.157529|0.119434|0.107058|0.136937|0.109809|0.175979|0.303368|0.500000|
|3.305998|3.888608|4.680712|5.929792|6.067631|5.585876|8.667054|17.686613|9.313057|5.451647|4.238871|3.495305|0.098904|0.082617|0.081393|0.118251|0.093030|0.135865|0.225904|0.191596|0.500000|
|3.583280|4.761782|5.667791|6.130265|5.881685|4.644347|5.443816|9.260583|17.716248|8.626569|7.521496|5.812880|0.099060|0.088511|0.089324|0.151003|0.119909|0.112079|0.127055|0.133320|0.229544|0.500000|
|4.087071|5.537612|8.968583|9.997929|10.832820|6.923084|5.709316|6.480641|8.903872|17.573349|9.216054|6.062699|0.107419|0.110146|0.095563|0.140110|0.145893|0.161006|0.124958|0.136630|0.135882|0.186188|0.500000|
|3.241684|4.281137|4.180196|4.535600|4.141341|2.822749|2.791817|3.286022|4.253014|5.123474|8.491188|18.022355|0.080195|0.084219|0.087019|0.123302|0.139189|0.071433|0.068152|0.075018|0.083065|0.128365|0.127476|0.500000|
493.958197
-2490.724396
902.685637
-69.402743
-1163.483305
669.065537
-494.417769
2.000930
BCF7FFFFFFFFFFFA
41A2E4CBC9FFFFFD
413C1EF3C7711DC0
40943FFFFFFFFFFF
C010000000000000
413C1EF6FFFFFFFF