Version2.5
2022-11-23T15:15:30Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
09-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1CCNC(=N)C(C#C)C1=C
RHF
6-31G(d)
(6D,7F)
CC1CCNC(=N)C(C#C)C1=C
C1[X(C10H14N2)]
72
C1
208
CC1CCNC(=N)C(C#C)C1=C
C#CC1C(=N)NCCC(C1=C)C
CC1CCNC(=N)C(C#C)C1=C
InChIKey=RWZRKAXLBQVNIB-UHFFFAOYSA-N
InChI=1S/C10H14N2/c1-4-9-8(3)7(2)5-6-12-10(9)11/h1,7,9H,3,5-6H2,2H3,(H2,11,12)
InChI=1/C10H14N2/c1-4-9-8(3)7(2)5-6-12-10(9)11/h1,7,9H,3,5-6H2,2H3,(H2,11,12)/f/h11-12H
CC1CCNC(=N)C(C#C)C1=C
C01[X(C10H14N2)]
72
C1
208
CC1CCNC(=N)C(C#C)C1=C
CC[C@@H]1[C@H](N)NCC[C@@H]([C@H]1C)C
CC[C@@H]1[C@H](N)NCC[C@H](C)[C@H]1C
InChIKey=OPMJIOCONNLZRO-QCLAVDOMSA-N
InChI=1S/C10H22N2/c1-4-9-8(3)7(2)5-6-12-10(9)11/h7-10,12H,4-6,11H2,1-3H3/t7-,8+,9-,10+/m0/s1
InChI=1/C10H22N2/c1-4-9-8(3)7(2)5-6-12-10(9)11/h7-10,12H,4-6,11H2,1-3H3/t7-,8+,9-,10+/m0/s1
4.951777624999D+02
-2.560725584249D+03
702.6487701039
-495.6163078
1-A
1935.5399
44
164
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|
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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|A|
0.17163 0.18551 0.21779 0.23041 0.24288 0.25308 0.26828 0.27826 0.28251 0.28896 0.29634 0.30600 0.31283 0.31588 0.32573 0.34320 0.35813 0.37593 0.39084 0.41368 0.42837 0.43183 0.44743 0.46473 0.49431 0.53370 0.55309 0.56422 0.63247 0.64845 0.68200 0.69515 0.72338 0.72939 0.74596 0.76071 0.78469 0.81366 0.82799 0.84272 0.85683 0.86399 0.86940 0.88505 0.90158 0.92904 0.93570 0.96245 0.97399 0.97663 0.98347 1.00378 1.03425 1.04674 1.05515 1.07585 1.09486 1.10875 1.12018 1.12214 1.13299 1.14641 1.15336 1.17039 1.17962 1.18647 1.19392 1.21346 1.21935 1.22632 1.23969 1.24649 1.25445 1.26692 1.28809 1.30017 1.31125 1.32844 1.35091 1.40230 1.43669 1.48303 1.53121 1.55862 1.58790 1.61127 1.65801 1.68238 1.74549 1.75590 1.77987 1.80333 1.83447 1.84675 1.85576 1.87954 1.91035 1.95570 1.97530 2.01021 2.02797 2.05966 2.06988 2.08634 2.10908 2.12750 2.15314 2.16355 2.17698 2.22383 2.24483 2.26298 2.27803 2.29569 2.32227 2.34477 2.36589 2.37394 2.41215 2.45473 2.47958 2.50021 2.54683 2.56060 2.56581 2.59400 2.61553 2.63270 2.66107 2.70060 2.70460 2.71716 2.75370 2.78064 2.84303 2.86222 2.90271 2.91373 2.92421 2.97020 3.00875 3.02602 3.07049 3.10922 3.12877 3.16693 3.18444 3.30276 3.35568 3.39327 3.43516 3.82172 4.32113 4.43269 4.58124 4.61816 4.66012 4.71198 4.74190 4.83491 4.88229 4.98554 5.13006 5.25236
14.20314
1.4926 -2.7873 1.5594
3.5255
|XX|YY|ZZ|XY|XZ|YZ|
-73.5395 -66.4372 -75.0469 4.8961 -3.6023 3.0687
|XX|YY|ZZ|XY|XZ|YZ|
-1.8649 5.2373 -3.3724 4.8961 -3.6023 3.0687
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
2.6414 -16.0270 29.8413 -10.2997 -17.1091 1.6757 -1.5240 0.3274 -1.8732 -15.3865
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1219.6834 -809.9791 -547.6780 62.4245 -1.5453 26.5615 -5.5455 -45.9023 59.9315 -314.6910 -299.1379 -203.6207 29.1375 -3.8055 -3.1362
0
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162.11570
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|
43.7569 58.6187 93.7572 142.6990 166.9067 233.6980 276.4269 331.9746 342.8226 386.8817 400.7356 430.4031 444.0788 496.1913 532.9012 614.8672 648.3545 672.1566 725.1321 771.9094 790.5574 797.1754 805.9920 869.1438 928.5033 932.8806 972.0782 985.3372 1044.9934 1060.1789 1068.7794 1101.4906 1108.6380 1183.5594 1203.7343 1220.5674 1258.4770 1318.2790 1341.9463 1367.9129 1405.7191 1421.1868 1437.8732 1465.0550 1490.8909 1513.3525 1545.1723 1562.1557 1591.2571 1600.9887 1641.8005 1648.9445 1661.3269 1662.8454 1677.4579 1872.4798 1890.9800 2408.6931 3154.8112 3165.8495 3208.1381 3224.1862 3242.5598 3269.3288 3284.3552 3293.5860 3297.6746 3348.1421 3428.2104 3664.5270 3705.4305 3812.2160
3.0413 3.2881 5.5068 3.8652 4.1179 2.3359 1.3100 2.7645 3.7368 3.5955 1.9991 3.4058 4.0324 4.3796 2.2467 1.9889 2.7097 3.3221 2.3265 3.0176 1.2205 1.2919 1.3715 2.0803 2.6813 2.9370 1.9404 1.5665 2.0053 1.3504 1.4142 2.0591 2.1923 2.4874 2.0063 1.8140 1.9387 1.7753 1.1932 2.3322 1.2093 1.2651 1.3369 1.2020 1.8826 1.7006 1.4982 1.2803 1.6721 1.1969 1.0578 1.1011 1.3337 1.1410 1.1014 4.8139 5.5147 5.7083 1.0828 1.0743 1.0391 1.0714 1.0905 1.1029 1.1021 1.0954 1.0848 1.0658 1.1132 1.1698 1.0757 1.0757
0.0034 0.0067 0.0285 0.0464 0.0676 0.0752 0.0590 0.1795 0.2588 0.3171 0.1891 0.3717 0.4685 0.6353 0.3759 0.4430 0.6711 0.8843 0.7208 1.0594 0.4494 0.4837 0.5249 0.9259 1.3619 1.5059 1.0803 0.8961 1.2902 0.8943 0.9518 1.4719 1.5876 2.0529 1.7128 1.5923 1.8091 1.8178 1.2660 2.5712 1.4079 1.5055 1.6285 1.5201 2.4655 2.2948 2.1076 1.8408 2.4945 1.8075 1.6799 1.7640 2.1688 1.8588 1.8259 9.9444 11.6184 19.5130 6.3493 6.3437 6.3008 6.5621 6.7554 6.9454 7.0044 7.0008 6.9508 7.0392 7.7086 9.2553 8.7018 9.2107
0.6648 3.3709 2.3818 1.4859 1.6654 0.2355 0.0228 2.1474 0.3478 5.9316 0.3420 3.0826 4.0490 2.9497 12.3940 33.1612 35.7843 2.2254 26.0672 6.8326 11.3625 48.0066 32.8121 3.8427 17.9874 17.7722 27.5718 93.4149 20.7464 7.0730 31.3063 4.8098 18.6219 3.5265 24.6040 14.5980 3.6456 13.1207 14.8483 1.8934 4.9871 17.5423 13.1601 2.8199 200.1922 60.6146 1.5700 2.0539 50.6013 4.4536 1.0461 5.1458 25.5193 13.7949 2.2788 14.1359 315.2087 0.2576 15.3803 82.4078 16.6471 37.2150 68.6897 39.6113 35.4369 26.9516 0.0561 10.5204 15.0941 56.6704 6.4149 7.0129
0.6501 3.1216 4.5359 9.4609 4.5341 1.7296 0.2404 4.1696 2.5976 2.9139 1.6922 3.3092 4.7670 2.8471 0.9089 5.6973 7.8987 9.8942 6.3068 2.6834 3.4794 2.3013 3.5927 9.5171 2.4862 4.0388 0.5700 2.7477 4.7066 0.4016 2.4473 4.8605 4.6337 3.6138 4.2532 6.7164 1.7849 3.6130 2.8312 3.3756 10.9863 13.2156 5.2497 3.4387 4.7556 3.8260 2.8094 3.0431 1.6784 30.7123 8.3456 13.5310 8.9227 6.7714 12.6357 31.5003 31.6156 117.9432 36.1483 118.1058 53.2117 109.6834 136.5601 68.4051 47.8078 34.8660 39.7545 99.7102 69.2973 34.3201 174.1235 93.2158
0.7437 0.7499 0.7431 0.7463 0.7352 0.7499 0.6845 0.7422 0.5629 0.7500 0.4532 0.3734 0.5719 0.5084 0.3757 0.0930 0.4929 0.0876 0.1461 0.7483 0.6039 0.6154 0.7338 0.3634 0.7254 0.7252 0.1867 0.6795 0.6381 0.6821 0.6715 0.7317 0.7474 0.7478 0.6992 0.2971 0.6654 0.7432 0.7500 0.7423 0.7110 0.6831 0.2740 0.7495 0.7311 0.6561 0.5563 0.5201 0.3184 0.5066 0.7265 0.6261 0.7143 0.5802 0.6601 0.3083 0.2346 0.2617 0.4616 0.2084 0.0137 0.2038 0.2754 0.6408 0.7278 0.5216 0.2472 0.1199 0.6739 0.2565 0.3455 0.2700
0.8530 0.8571 0.8526 0.8548 0.8474 0.8570 0.8127 0.8520 0.7204 0.8571 0.6237 0.5437 0.7277 0.6741 0.5462 0.1703 0.6603 0.1611 0.2549 0.8560 0.7530 0.7620 0.8465 0.5331 0.8409 0.8407 0.3147 0.8092 0.7791 0.8110 0.8034 0.8451 0.8555 0.8557 0.8230 0.4582 0.7991 0.8527 0.8571 0.8521 0.8311 0.8117 0.4301 0.8568 0.8446 0.7923 0.7149 0.6843 0.4830 0.6725 0.8416 0.7701 0.8334 0.7343 0.7952 0.4713 0.3800 0.4148 0.6316 0.3449 0.0270 0.3386 0.4319 0.7811 0.8424 0.6856 0.3964 0.2141 0.8052 0.4082 0.5136 0.4252
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 6 6 7 6 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 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 1.00783 1.00783
1607.08607 2101.92627 2424.83323
0.99990 0.01255 -0.00678 -0.01284 0.99894 -0.04425 0.00621 0.04433 0.99900
1
0.05390 0.04121 0.03572
1.12299 0.85861 0.74427
62.96 84.34 134.90 205.31 240.14 336.24 397.72 477.64 493.25 556.64 576.57 619.25 638.93 713.91 766.73 884.66 932.84 967.08 1043.30 1110.61 1137.44 1146.96 1159.64 1250.50 1335.91 1342.21 1398.60 1417.68 1503.51 1525.36 1537.74 1584.80 1595.08 1702.88 1731.91 1756.12 1810.67 1896.71 1930.76 1968.12 2022.52 2044.77 2068.78 2107.89 2145.06 2177.38 2223.16 2247.59 2289.46 2303.47 2362.18 2372.46 2390.28 2392.46 2413.49 2694.08 2720.70 3465.57 4539.07 4554.95 4615.80 4638.88 4665.32 4703.83 4725.45 4738.74 4744.62 4817.23 4932.43 5272.44 5331.29 5484.93
0.240966
0.252169
0.253113
0.203510
-495.375342
-495.364139
-495.363195
-495.412798
1.663693D-04
MUNgauss
RevisionA2.1
retrievium
23-Nov-2022
GDB_13 Smiles: CC1CCNC(=N)C(C#C)C1=C
RHF
6-31G(d)
(6D,10F)
C1
162.115699
|X|Y|Z|
29.950195 24.754326 20.633147
24.824018
7
|36.858105|
|12.443930|36.858105|
|7.523527|12.339900|36.858105|
|4.992755|7.400756|12.494054|36.858105|
|4.136626|6.104747|7.479805|13.049460|53.358707|
|4.194433|6.302430|6.202601|7.461601|18.773610|36.858105|
|3.484385|4.758004|4.462908|5.244103|11.066512|15.111971|53.358707|
|4.823049|7.292880|6.456008|5.985115|10.345356|12.469050|10.952576|36.858105|
|4.147081|5.595331|5.966247|5.431941|8.742787|7.680219|7.601437|12.878455|36.858105|
|3.542904|4.396374|4.944626|4.549861|6.883847|5.397978|5.850634|7.147057|16.050687|36.858105|
|7.460993|12.531313|7.534356|5.689110|7.916315|7.364185|7.569272|12.425426|7.617917|5.369094|36.858105|
|6.539582|7.576711|5.155399|4.090953|5.688821|5.149804|6.024106|7.781972|5.865926|4.579362|14.428963|36.858105|
|17.556031|8.831224|6.971116|4.922498|5.286572|3.739635|4.298264|4.009182|3.551806|3.121669|5.472031|4.787933|0.500000|
|17.583835|8.739525|5.464863|4.105170|4.937843|3.837338|4.543161|4.404836|3.688231|3.156900|6.743894|6.823155|0.302930|0.500000|
|17.548274|8.763254|6.757285|4.438041|5.085619|3.781577|4.284694|4.539484|4.205466|3.719500|6.709767|6.370474|0.301138|0.301064|0.500000|
|8.974602|17.461341|8.913001|7.391764|8.647690|6.572330|7.090205|6.442285|4.727563|3.762955|9.029363|6.199723|0.215803|0.214868|0.173992|0.500000|
|7.508808|8.836835|17.545713|9.104810|7.599689|4.649112|4.927833|4.735514|4.541531|4.035727|5.577257|4.284027|0.227360|0.147823|0.191182|0.199427|0.500000|
|6.287377|8.750210|17.605973|8.809836|8.986413|5.771465|5.692658|6.702089|7.364998|6.355497|7.252317|5.187425|0.155192|0.132563|0.179784|0.175765|0.304837|0.500000|
|4.901749|6.766164|8.974450|17.484546|12.431133|6.174656|6.570770|4.893480|4.259610|3.636532|4.950453|3.728400|0.142290|0.114744|0.115872|0.216749|0.225438|0.174659|0.500000|
|4.151180|5.453967|8.915804|17.567173|12.585778|5.709857|5.894790|4.822602|4.861701|4.403834|4.487866|3.441641|0.116630|0.096019|0.107669|0.146297|0.220818|0.216226|0.302940|0.500000|
|3.510283|4.798858|5.613805|9.326991|25.983021|9.635840|10.500061|5.674782|4.971342|4.173771|4.552757|3.499150|0.094117|0.087694|0.088207|0.144884|0.128297|0.139018|0.228560|0.220263|0.500000|
|3.157514|4.172881|4.074845|5.088778|10.612084|10.093056|25.769397|5.838431|4.532470|3.699159|4.486626|3.659527|0.081936|0.083908|0.078990|0.130312|0.094858|0.104294|0.136412|0.119828|0.245815|0.500000|
|4.083966|5.531042|4.759324|4.551261|7.812743|9.230512|11.118469|17.646399|9.210112|6.076388|8.989306|7.532277|0.095396|0.109455|0.107733|0.144242|0.104523|0.136056|0.109881|0.106555|0.131639|0.158736|0.500000|
|3.080521|3.629915|4.123669|3.845809|5.613219|4.215183|4.804341|5.118244|8.490865|18.027355|4.196504|3.756898|0.077059|0.076808|0.091156|0.087762|0.098584|0.144609|0.087694|0.107915|0.098866|0.087283|0.127790|0.500000|
|4.781229|5.451561|4.191865|3.544108|5.151063|4.781250|5.899288|7.239226|5.776826|4.614882|9.114595|17.711366|0.104721|0.138605|0.133022|0.132611|0.098349|0.120737|0.089557|0.085102|0.089941|0.098561|0.230393|0.105996|0.500000|
|7.357238|6.839396|4.652711|3.643114|4.842893|4.127954|4.957511|5.508374|4.536284|3.786234|9.046184|17.756755|0.145228|0.241890|0.204266|0.158439|0.114202|0.127408|0.095161|0.086624|0.084824|0.087032|0.147342|0.090031|0.290565|0.500000|
495.177817
-2560.725796
937.488738
-70.205888
-1198.265129
702.648821
-495.616308
2.000886
400FFFFFFFFFFFFE
419A4F8487FFFFFB
4133228EEE8BA2E5
40AC020000000000
4008000000000000
4110693C00000000