Version2.5
2022-04-06T07:15:20Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
12-Feb-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC#CC1CC2CC=CC=C2C1
RHF
6-31G(d)
(6D,7F)
CC#CC1CC2CC=CC=C2C1
C1[X(C12H14)]
72
C1
208
CC#CC1CC2CC=CC=C2C1
CC#CC1CC2=CC=CCC2C1
CC#CC1CC2CC=CC=C2C1
InChIKey=CYPADKMBQCKGLH-UHFFFAOYSA-N
InChI=1S/C12H14/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h3-4,6,10,12H,7-9H2,1H3
InChI=1/C12H14/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h3-4,6,10,12H,7-9H2,1H3
CC#CC1CC2CC=CC=C2C1
C01[X(C12H14)]
72
C1
208
CC#CC1CC2CC=CC=C2C1
CCC[C@@H]1C[C@H]2[C@@H](C1)CCCC2
CCC[C@H]1C[C@H]2CCCC[C@H]2C1
InChIKey=ROGJZNBTUMKNHV-ZSBIGDGJSA-N
InChI=1S/C12H22/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h10-12H,2-9H2,1H3/t10-,11+,12-
InChI=1/C12H22/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h10-12H,2-9H2,1H3/t10-,11+,12-
4.622199250035D+02
-2.349072149071D+03
636.1929344186
-462.4908163
1-A
2874.9189
43
165
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|
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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|A|
0.13554 0.21808 0.22755 0.23492 0.25503 0.25798 0.27148 0.27865 0.28932 0.30794 0.31524 0.32255 0.33305 0.33975 0.34672 0.35128 0.35981 0.36504 0.39272 0.40271 0.40941 0.41912 0.43254 0.47953 0.48362 0.52352 0.53367 0.54486 0.60067 0.61267 0.64743 0.69622 0.73422 0.73756 0.75459 0.76396 0.77099 0.78692 0.80599 0.80914 0.83529 0.84641 0.84838 0.86557 0.86939 0.88087 0.91474 0.92487 0.94572 0.97617 0.98425 0.99003 1.00355 1.00681 1.03934 1.04226 1.06298 1.09559 1.11295 1.12437 1.13143 1.13397 1.14861 1.14994 1.15782 1.16355 1.17327 1.18060 1.18903 1.20246 1.20981 1.21579 1.22732 1.23426 1.24188 1.24691 1.28086 1.30207 1.33914 1.35411 1.41728 1.44651 1.46919 1.50096 1.53989 1.58393 1.62393 1.69365 1.70749 1.71093 1.75856 1.77366 1.80185 1.82525 1.83166 1.85735 1.87291 1.88889 1.92001 1.93432 2.00495 2.02233 2.05692 2.07589 2.09734 2.11595 2.15227 2.19304 2.22432 2.23590 2.25014 2.26797 2.28711 2.30027 2.31809 2.32963 2.34118 2.36065 2.37150 2.40187 2.41763 2.43715 2.47291 2.50663 2.54492 2.55310 2.57941 2.58545 2.62195 2.62953 2.65234 2.68093 2.68630 2.75314 2.77299 2.81045 2.85075 2.88003 2.88685 2.93781 2.94979 2.99519 3.03387 3.07579 3.08808 3.15015 3.20108 3.25085 3.29984 3.36041 3.42535 3.61582 3.94639 4.54771 4.55159 4.60140 4.64846 4.69110 4.73191 4.80898 4.89279 4.91481 5.08110 5.15678 5.34305
11.65318
-0.4983 -0.2281 -0.0491
0.5502
|XX|YY|ZZ|XY|XZ|YZ|
-65.8901 -70.0583 -73.6916 -0.5594 1.5557 -0.3842
|XX|YY|ZZ|XY|XZ|YZ|
3.9898 -0.1783 -3.8116 -0.5594 1.5557 -0.3842
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-43.6159 2.8308 0.8219 7.2449 -1.2934 -12.6430 -7.5995 -1.9285 -0.0079 -0.8585
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-2923.6757 -478.9504 -167.1396 6.1133 43.7787 5.4966 -5.3903 12.3888 0.6404 -612.7788 -608.7068 -112.7911 -0.7876 -5.0390 -4.5407
1
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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 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|
-11.4216 56.4891 82.0715 134.2348 187.2175 239.7457 285.0153 335.7647 350.6776 398.9395 435.6073 511.1119 550.5463 579.3720 591.3631 603.7456 627.8623 789.4446 804.1939 865.1797 873.3517 954.1789 962.9043 988.8661 1005.7262 1050.7198 1063.9504 1107.5762 1132.4658 1147.2834 1164.8425 1165.1430 1171.4817 1195.4285 1234.7168 1248.5836 1264.6910 1315.0331 1325.9205 1338.5100 1392.0980 1398.5360 1444.7991 1448.8440 1467.6336 1506.0580 1526.4458 1533.0197 1549.8978 1565.0009 1626.5461 1626.8264 1626.9645 1627.9996 1647.1550 1832.6260 1895.8191 2558.5358 3139.5385 3163.6695 3199.9859 3210.5768 3213.9807 3219.0375 3233.8526 3261.1646 3270.2827 3276.2708 3276.4374 3339.7697 3350.8394 3371.4652
1.0197 3.6920 3.4856 2.4961 3.5196 2.3102 3.9487 4.0649 2.2718 3.6705 3.6859 2.5790 3.2365 4.7326 3.8559 4.4659 2.4625 2.7081 1.4298 2.5144 4.2720 1.7550 2.4061 1.5550 2.4603 1.5308 2.4139 1.3126 1.6876 2.5732 1.3964 1.4039 2.5521 3.3386 2.9699 1.6062 1.4686 1.3605 1.2680 1.3230 1.2230 1.4404 1.2673 1.3399 1.3025 1.7452 1.6242 1.6390 1.7597 1.2396 1.0722 1.0494 1.0544 1.1009 1.1045 7.3807 6.8714 11.9013 1.0829 1.0717 1.0848 1.0347 1.0646 1.0641 1.0925 1.1022 1.1033 1.1031 1.1031 1.0879 1.0909 1.0995
0.0001 0.0069 0.0138 0.0265 0.0727 0.0782 0.1890 0.2700 0.1646 0.3442 0.4121 0.3970 0.5780 0.9360 0.7945 0.9591 0.5719 0.9944 0.5448 1.1089 1.9198 0.9414 1.3144 0.8959 1.4662 0.9957 1.6100 0.9487 1.2752 1.9956 1.1163 1.1229 2.0636 2.8110 2.6676 1.4753 1.3840 1.3862 1.3134 1.3965 1.3964 1.6599 1.5586 1.6571 1.6529 2.3322 2.2297 2.2695 2.4906 1.7888 1.6714 1.6364 1.6444 1.7191 1.7656 14.6048 14.5508 45.9015 6.2888 6.3197 6.5446 6.2842 6.4792 6.4968 6.7318 6.9065 6.9518 6.9763 6.9773 7.1491 7.2166 7.3632
0.0003 0.0848 0.6508 1.0218 1.0454 4.2998 4.4431 3.7210 1.2804 1.5045 0.8562 1.8589 1.1779 0.7523 2.4227 0.9180 1.3882 4.2006 38.5172 16.6621 4.7271 2.4393 0.7562 2.6736 1.1784 2.5939 0.1296 0.2316 3.0336 2.3154 0.3152 0.3919 1.5129 0.0955 5.2553 2.5323 1.3339 0.4944 2.6678 8.2195 1.1339 7.9454 0.7282 1.6702 0.0901 22.9502 5.4155 0.3953 2.0419 10.8160 0.7784 4.2923 6.2486 0.8306 2.5346 6.2553 4.6032 0.0304 16.0867 48.2651 8.7654 40.1096 32.7923 34.3548 39.5909 31.8106 54.4343 20.9547 22.8093 4.9482 35.9307 55.6813
0.0370 1.3580 3.0413 2.2888 1.4204 1.1235 1.4811 8.3932 5.4242 4.1849 6.7602 2.9314 1.6270 13.8946 12.8805 0.8529 1.6652 9.3900 7.7768 2.0287 10.3234 5.2400 3.1890 6.8188 7.7852 4.0364 6.7614 3.7727 9.5208 3.1571 0.0839 0.1481 3.6608 6.8065 4.2085 1.5410 6.8099 12.7179 5.1569 4.9897 10.2023 6.3463 1.6511 4.6839 11.8503 7.8948 7.3456 14.3032 7.1032 31.8550 10.5281 15.8716 31.2423 12.1637 13.5140 141.6384 52.6496 259.6178 95.6181 47.8348 124.1731 225.6494 22.4110 111.8377 84.1847 76.2574 84.7951 117.9847 106.4471 74.0368 100.2875 252.1698
0.7489 0.7124 0.7494 0.7257 0.7352 0.7007 0.7402 0.5260 0.4258 0.7276 0.4714 0.7027 0.7485 0.7335 0.7494 0.4576 0.5538 0.2085 0.4851 0.3360 0.1534 0.6751 0.1263 0.6905 0.2000 0.6451 0.7386 0.6549 0.2761 0.7500 0.7188 0.6998 0.5310 0.4674 0.3175 0.6716 0.5606 0.5585 0.3590 0.7497 0.6846 0.7036 0.6608 0.5350 0.6471 0.7363 0.4065 0.3987 0.7416 0.4872 0.6947 0.7492 0.7472 0.6865 0.7383 0.2157 0.3975 0.3180 0.3075 0.2318 0.2754 0.0278 0.6012 0.0371 0.4487 0.6262 0.3634 0.7500 0.7430 0.5978 0.6935 0.1460
0.8564 0.8320 0.8567 0.8411 0.8474 0.8240 0.8507 0.6894 0.5973 0.8423 0.6407 0.8254 0.8562 0.8463 0.8567 0.6278 0.7128 0.3450 0.6533 0.5030 0.2659 0.8061 0.2243 0.8169 0.3333 0.7843 0.8496 0.7914 0.4327 0.8571 0.8364 0.8234 0.6937 0.6371 0.4820 0.8035 0.7184 0.7167 0.5283 0.8570 0.8127 0.8260 0.7958 0.6971 0.7858 0.8482 0.5781 0.5701 0.8516 0.6552 0.8199 0.8566 0.8553 0.8141 0.8494 0.3549 0.5689 0.4826 0.4704 0.3764 0.4319 0.0542 0.7509 0.0716 0.6195 0.7701 0.5331 0.8571 0.8525 0.7483 0.8190 0.2549
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 6 6 6 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 12.00000 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 1.00783 1.00783
604.24368 4251.15938 4653.66699
0.99999 -0.00305 0.00385 0.00305 1.00000 0.00001 -0.00385 0.00000 0.99999
1
0.14334 0.02037 0.01861
2.98678 0.42453 0.38781
81.28 118.08 193.13 269.36 344.94 410.07 483.09 504.55 573.98 626.74 735.38 792.11 833.59 850.84 868.66 903.35 1135.83 1157.06 1244.80 1256.56 1372.85 1385.40 1422.76 1447.02 1511.75 1530.79 1593.56 1629.37 1650.68 1675.95 1676.38 1685.50 1719.96 1776.48 1796.43 1819.61 1892.04 1907.70 1925.82 2002.92 2012.18 2078.74 2084.56 2111.60 2166.88 2196.22 2205.67 2229.96 2251.69 2340.24 2340.64 2340.84 2342.33 2369.89 2636.74 2727.66 3681.16 4517.10 4551.81 4604.07 4619.30 4624.20 4631.48 4652.79 4692.09 4705.21 4713.82 4714.06 4805.18 4821.11 4850.79
0.241353
0.251121
0.252066
0.205516
-462.249463
-462.239695
-462.238751
-462.285300
1.561261D-04
MUNgauss
RevisionA2.1
retrievium
06-Apr-2022
GDB_13 Smiles: CC#CC1CC2CC=CC=C2C1
RHF
6-31G(d)
(6D,10F)
C1
158.109551
|X|Y|Z|
19.010649 11.302546 48.844294
21.894197
9
|36.858105|
|12.965904|36.858105|
|7.167284|16.026276|36.858105|
|4.614634|7.164524|12.956823|36.858105|
|3.834258|5.315681|7.516984|12.349989|36.858105|
|3.006668|3.887471|5.068935|7.917833|12.433171|36.858105|
|2.551635|3.123812|3.783974|4.989495|7.278928|12.479330|36.858105|
|2.205457|2.632807|3.110317|3.969111|4.886658|7.641811|12.575312|36.858105|
|2.209988|2.641900|3.127123|4.008560|4.479385|6.756302|7.706187|14.369955|36.858105|
|2.555985|3.141246|3.828674|5.132231|5.240700|7.714207|6.654148|7.807029|12.901289|36.858105|
|3.038732|3.931850|5.121939|7.907514|7.955880|12.543967|7.563342|6.740849|7.878509|14.400758|36.858105|
|3.835533|5.317613|7.517281|12.313895|7.845676|7.680124|5.077438|4.416425|4.905127|7.417197|12.586207|36.858105|
|17.567593|9.016035|5.940374|4.118037|3.347840|2.737705|2.326784|2.055988|2.088683|2.423775|2.832026|3.585402|0.500000|
|17.568075|9.014197|5.938621|4.118946|3.586970|2.859295|2.490409|2.161323|2.164011|2.488773|2.912572|3.604438|0.301329|0.500000|
|17.567562|9.016394|5.941144|4.118926|3.600495|2.823629|2.429863|2.091077|2.066505|2.340435|2.763136|3.348742|0.301353|0.301337|0.500000|
|4.154684|6.008298|9.151012|17.523201|8.892383|7.015902|4.513259|3.734448|3.785093|4.692990|6.729071|8.853052|0.106881|0.100497|0.106533|0.500000|
|3.724242|4.974134|6.525331|8.670836|17.572183|8.644481|6.190800|4.271964|3.804384|4.176165|5.678158|5.609490|0.089818|0.095301|0.101454|0.217041|0.500000|
|3.965057|5.359896|7.032090|8.808151|17.530179|8.795488|6.868667|4.634786|4.218184|4.853100|6.782721|6.842099|0.093957|0.107361|0.102468|0.174390|0.301566|0.500000|
|2.801233|3.561942|4.555608|6.890029|8.882503|17.438130|8.931609|6.783138|6.110534|6.537037|8.991027|6.339510|0.071955|0.072799|0.074167|0.201376|0.217517|0.174048|0.500000|
|2.416859|2.909745|3.453005|4.375946|6.381675|8.822196|17.545659|8.851989|5.734611|4.927532|5.520549|4.152228|0.061109|0.065221|0.065171|0.114470|0.172797|0.164833|0.220192|0.500000|
|2.626214|3.184867|3.786058|4.725721|6.849921|8.817961|17.458243|8.919406|6.403514|5.894626|6.594184|4.855573|0.065823|0.072623|0.069136|0.113384|0.158914|0.212143|0.174299|0.303212|0.500000|
|1.980431|2.315048|2.672764|3.278780|3.969214|5.534317|8.510281|17.698615|9.114565|5.559357|4.884790|3.535669|0.051465|0.054109|0.052670|0.087170|0.101213|0.106377|0.145980|0.214953|0.192366|0.500000|
|1.986312|2.326293|2.692347|3.319997|3.580561|4.917087|5.503681|9.115338|17.697986|8.649109|5.667456|4.007578|0.052691|0.054202|0.051748|0.088734|0.087234|0.094810|0.130424|0.125603|0.134779|0.218578|0.500000|
|2.467340|2.976336|3.534556|4.465860|4.259401|5.491719|4.868049|5.640999|8.631885|17.686062|9.066789|6.640105|0.066046|0.067123|0.062206|0.114651|0.097036|0.112537|0.136258|0.107255|0.126946|0.123786|0.210044|0.500000|
|4.057754|5.507294|7.211184|8.784387|6.579830|6.069502|4.583170|4.025728|4.442855|6.425802|8.871850|17.540899|0.104503|0.110187|0.095729|0.175061|0.135074|0.186263|0.136328|0.104538|0.130854|0.091353|0.103285|0.171731|0.500000|
|3.631156|4.832260|6.346558|8.657015|5.664756|5.772599|4.123710|3.830002|4.398216|6.512767|8.721898|17.569402|0.098381|0.093495|0.087902|0.221073|0.125284|0.138024|0.148400|0.097176|0.107903|0.087657|0.104760|0.180769|0.302667|0.500000|
462.220060
-2349.072553
855.542894
-67.374200
-1098.683799
636.192980
-462.490819
2.000586
4038000000000005
4190EB215FFFFFFE
41292E55653594D3
40DDA50000000000
C000000000000000
415CB0EF7FFFFFFF