Version2.5
2022-04-05T01:43:19Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
07-Feb-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: C=CCC1=CC2=C(C1)CC=CC2
RHF
6-31G(d)
(6D,7F)
C=CCC1=CC2=C(C1)CC=CC2
C1[X(C12H14)]
72
C1
208
C=CCC1=CC2=C(C1)CC=CC2
C=CCC1=CC2=C(C1)CC=CC2
C=CCC1=CC2=C(CC=CC2)C1
InChIKey=DMQKPOZMAUGTQU-UHFFFAOYSA-N
InChI=1S/C12H14/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h2-4,8H,1,5-7,9H2
InChI=1/C12H14/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h2-4,8H,1,5-7,9H2
C=CCC1=CC2=C(C1)CC=CC2
C01[X(C12H14)]
72
C1
208
C=CCC1=CC2=C(C1)CC=CC2
CCC[C@@H]1C[C@@H]2[C@@H](C1)CCCC2
CCC[C@H]1C[C@H]2CCCC[C@@H]2C1
InChIKey=ROGJZNBTUMKNHV-VXGBXAGGSA-N
InChI=1S/C12H22/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h10-12H,2-9H2,1H3/t11-,12-/m1/s1
InChI=1/C12H22/c1-2-5-10-8-11-6-3-4-7-12(11)9-10/h10-12H,2-9H2,1H3/t11-,12-/m1/s1
4.622322221756D+02
-2.358291788005D+03
640.7310433093
-462.5106316
1-A
2697.9694
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|
0.14564 0.19070 0.20014 0.24876 0.25614 0.26089 0.27161 0.28244 0.28786 0.29770 0.31215 0.32048 0.32656 0.33321 0.33985 0.34647 0.36300 0.37534 0.38519 0.40056 0.42503 0.42974 0.45133 0.46516 0.47359 0.51986 0.54155 0.58499 0.62593 0.66480 0.69691 0.71274 0.73147 0.75360 0.75907 0.76963 0.78094 0.78496 0.80468 0.81679 0.82678 0.84020 0.85648 0.87400 0.88471 0.88796 0.89987 0.90748 0.92080 0.93595 0.94646 0.95845 0.98171 1.00008 1.02650 1.04884 1.06778 1.08510 1.09929 1.11387 1.12765 1.13707 1.13816 1.15063 1.16336 1.16447 1.17131 1.17544 1.18685 1.19957 1.20552 1.21423 1.21770 1.22066 1.22746 1.23654 1.25333 1.27200 1.36442 1.37439 1.38334 1.43404 1.45058 1.47446 1.51712 1.52115 1.53768 1.56270 1.60353 1.67184 1.71346 1.72213 1.73468 1.76439 1.78219 1.80131 1.87881 1.90834 1.94683 2.01457 2.02997 2.03636 2.07342 2.09710 2.11488 2.14658 2.17918 2.19853 2.21891 2.22982 2.26970 2.27446 2.28918 2.30035 2.31997 2.35401 2.37104 2.38584 2.40119 2.42031 2.45654 2.47288 2.51693 2.55338 2.57255 2.58632 2.59897 2.61344 2.64055 2.64935 2.69345 2.71998 2.75576 2.75730 2.80233 2.83395 2.87775 2.88890 2.92276 2.93718 2.95562 2.98379 3.00766 3.08975 3.15080 3.17507 3.18122 3.21141 3.25488 3.35476 3.38334 3.52835 3.62805 4.54182 4.56176 4.56912 4.60476 4.61943 4.67683 4.74645 4.84435 4.87147 4.89005 5.04358 5.19134
11.72529
-0.0782 0.0988 -0.0549
0.1375
|XX|YY|ZZ|XY|XZ|YZ|
-71.4199 -68.3574 -73.7896 -1.2559 0.7705 -1.0961
|XX|YY|ZZ|XY|XZ|YZ|
-0.2309 2.8316 -2.6006 -1.2559 0.7705 -1.0961
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
15.7169 -3.9230 0.7079 5.5847 7.7062 2.4203 -9.8661 2.2053 0.0351 -0.5805
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-3029.7381 -552.9492 -166.5503 -61.0235 10.3488 10.4898 -0.1029 -7.5735 -5.1158 -571.7850 -530.5407 -120.7554 -0.9348 1.5236 -7.3257
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 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|
44.9800 71.8798 92.8374 149.8541 216.3924 233.7210 255.2237 353.4974 400.2685 433.5473 440.8538 478.0402 515.4227 609.1148 629.8432 634.6102 745.0293 749.8076 830.9320 911.3538 949.6774 951.2359 973.0387 999.4228 1011.6482 1028.5883 1039.2754 1072.9648 1079.3614 1087.2938 1135.1841 1145.3326 1194.6241 1201.4294 1225.9716 1256.1033 1269.7539 1293.0482 1313.3447 1330.8823 1339.5116 1354.1181 1428.3579 1437.3748 1467.4501 1487.0966 1523.2868 1543.8397 1574.1320 1589.1087 1591.4682 1622.1279 1629.7528 1631.1952 1813.3734 1869.7279 1874.2635 1909.0477 3161.9496 3167.6519 3174.0180 3182.1333 3187.7352 3192.7563 3220.7868 3227.8079 3320.0300 3327.0590 3333.9931 3353.1328 3370.7342 3404.0020
3.2482 3.6338 2.5339 2.1753 2.2756 2.7637 2.8239 2.8071 2.7087 2.1402 2.6256 2.4090 2.4389 5.1193 2.5203 2.8031 1.2959 1.9811 2.6133 4.9064 2.6908 2.2389 2.8097 1.5969 1.3980 2.3064 2.1430 1.3391 1.5608 1.7583 1.4606 1.1448 2.4911 1.7787 2.0149 1.2068 1.7907 2.0044 1.2096 1.0984 1.1444 1.4068 1.4462 1.3598 1.5072 2.3169 1.9505 1.4858 2.5895 1.1809 1.2055 1.1013 1.1072 1.1012 8.0635 6.5425 4.4036 7.0989 1.0602 1.0605 1.1017 1.1018 1.0632 1.0608 1.0985 1.1042 1.0657 1.0855 1.0887 1.0983 1.0958 1.1161
0.0039 0.0111 0.0129 0.0288 0.0628 0.0889 0.1084 0.2067 0.2557 0.2370 0.3007 0.3244 0.3817 1.1191 0.5891 0.6651 0.4238 0.6562 1.0631 2.4010 1.4298 1.1936 1.5674 0.9398 0.8429 1.4377 1.3637 0.9083 1.0714 1.2247 1.1089 0.8848 2.0946 1.5127 1.7843 1.1219 1.7011 1.9745 1.2293 1.1463 1.2098 1.5198 1.7384 1.6552 1.9122 3.0188 2.6666 2.0865 3.7806 1.7569 1.7990 1.7074 1.7327 1.7263 15.6224 13.4757 9.1143 15.2431 6.2454 6.2698 6.5390 6.5731 6.3654 6.3710 6.7137 6.7783 6.9213 7.0796 7.1297 7.2757 7.3354 7.6198
0.0068 0.1241 0.0135 0.4246 0.3379 2.3704 1.4618 2.2047 0.4718 0.1139 3.7822 5.6033 4.3427 0.1975 6.1838 2.7554 18.6881 12.0267 2.0560 1.2537 2.0323 6.9918 0.2270 0.6981 8.5301 1.2472 6.4068 51.7219 0.6714 18.3059 0.1463 9.9642 1.4684 4.5022 1.8217 2.9214 1.9101 2.2683 0.3834 0.5934 0.2646 2.6093 12.9126 1.6004 11.8237 3.6946 1.6742 0.2143 3.8895 2.2433 1.8990 3.4968 0.4533 1.0182 3.5699 16.2131 3.5131 0.1054 54.0371 60.8311 38.2622 39.6109 28.3497 40.2231 23.0462 26.1891 23.8308 14.3885 7.7126 67.9549 22.1887 26.2908
1.3780 4.4854 4.3995 2.8977 0.5860 1.2196 2.9719 0.8724 5.4454 3.1651 1.1826 3.3668 3.6520 5.0077 5.2278 0.7934 9.7685 12.4340 4.1734 3.1251 4.7251 5.7617 8.7067 4.0751 6.0459 3.0265 2.6793 2.0638 2.0497 2.7334 2.8150 3.8000 2.1543 7.0051 12.3705 17.7489 9.3459 7.3334 18.3969 10.3842 0.9268 20.2879 2.4686 26.7891 7.4794 3.5287 1.9406 0.0837 10.8372 24.0372 8.3338 11.6670 46.6046 15.2340 110.3068 1.8710 53.7320 23.5650 146.1249 165.0077 100.5558 118.4351 43.6706 180.7473 69.5109 80.6836 32.6516 90.4099 122.6789 220.7671 91.6273 85.5267
0.7478 0.7149 0.7310 0.7485 0.7490 0.7365 0.6807 0.1121 0.1895 0.7500 0.7489 0.6594 0.7500 0.7370 0.4672 0.5403 0.6432 0.4886 0.4026 0.6116 0.2126 0.1064 0.0873 0.2392 0.5515 0.7393 0.7422 0.6815 0.7491 0.7474 0.7476 0.6970 0.4394 0.4104 0.2686 0.6519 0.7297 0.2944 0.6656 0.7500 0.7499 0.6196 0.3326 0.3977 0.3331 0.6824 0.7327 0.3991 0.5440 0.6674 0.4499 0.7491 0.5775 0.4649 0.2319 0.7116 0.2008 0.2432 0.1035 0.1437 0.7493 0.7498 0.4526 0.0456 0.6868 0.7488 0.3381 0.7500 0.1898 0.1800 0.2995 0.6126
0.8557 0.8338 0.8446 0.8562 0.8565 0.8483 0.8100 0.2016 0.3186 0.8571 0.8564 0.7948 0.8571 0.8486 0.6369 0.7016 0.7829 0.6564 0.5740 0.7590 0.3506 0.1923 0.1605 0.3860 0.7109 0.8501 0.8520 0.8106 0.8565 0.8555 0.8556 0.8215 0.6105 0.5819 0.4235 0.7893 0.8437 0.4549 0.7992 0.8571 0.8571 0.7651 0.4992 0.5691 0.4998 0.8112 0.8457 0.5705 0.7047 0.8005 0.6206 0.8566 0.7322 0.6348 0.3765 0.8315 0.3345 0.3912 0.1877 0.2514 0.8567 0.8570 0.6231 0.0871 0.8143 0.8564 0.5054 0.8571 0.3190 0.3051 0.4609 0.7598
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
682.92403 3838.39712 4326.68152
0.99999 -0.00426 0.00113 0.00427 0.99996 -0.00820 -0.00109 0.00821 0.99997
1
0.12683 0.02257 0.02002
2.64267 0.47018 0.41712
64.72 103.42 133.57 215.61 311.34 336.27 367.21 508.60 575.90 623.78 634.29 687.79 741.58 876.38 906.20 913.06 1071.93 1078.81 1195.53 1311.23 1366.37 1368.62 1399.99 1437.95 1455.54 1479.91 1495.29 1543.76 1552.96 1564.37 1633.28 1647.88 1718.80 1728.59 1763.90 1807.25 1826.89 1860.41 1889.61 1914.84 1927.26 1948.27 2055.09 2068.06 2111.33 2139.60 2191.67 2221.24 2264.82 2286.37 2289.77 2333.88 2344.85 2346.93 2609.04 2690.12 2696.65 2746.69 4549.34 4557.54 4566.70 4578.38 4586.44 4593.66 4633.99 4644.10 4776.78 4786.90 4796.87 4824.41 4849.73 4897.60
0.240721
0.251100
0.252044
0.203853
-462.269910
-462.259532
-462.258588
-462.306779
1.616334D-04
MUNgauss
RevisionA2.1
retrievium
05-Apr-2022
GDB_13 Smiles: C=CCC1=CC2=C(C1)CC=CC2
RHF
6-31G(d)
(6D,10F)
C1
158.109551
|X|Y|Z|
46.491701 20.283128 11.184100
21.929925
9
|36.858105|
|14.447621|36.858105|
|7.584068|12.618002|36.858105|
|5.336328|7.583799|12.655041|36.858105|
|3.999197|5.334817|7.474762|14.324654|36.858105|
|3.325247|4.098877|5.048355|8.287029|12.892696|36.858105|
|3.544670|4.216615|4.984861|8.063450|8.330423|14.344641|36.858105|
|4.809448|5.857534|7.167782|12.584161|8.234014|8.221070|12.640915|36.858105|
|2.923703|3.280439|3.637001|4.976726|5.092256|7.612960|12.716457|7.114127|36.858105|
|2.447350|2.747829|3.039288|3.989764|4.453375|6.774219|7.680768|4.842957|12.626818|36.858105|
|2.371716|2.714367|3.053123|4.015411|4.874477|7.678064|6.775042|4.422227|7.608190|14.427895|36.858105|
|2.655990|3.155227|3.692240|5.093921|7.166518|12.709129|7.613913|5.049803|6.300592|7.610629|12.631735|36.858105|
|17.711039|9.098070|5.454725|4.281009|3.411791|2.937507|3.125999|4.021279|2.665976|2.263806|2.189280|2.413761|0.500000|
|17.687519|9.084110|6.866253|4.912774|3.695981|3.129440|3.381138|4.598703|2.833547|2.363222|2.272496|2.516253|0.289108|0.500000|
|9.188623|17.655455|8.653833|6.717897|5.283226|4.105875|4.096027|5.265422|3.217032|2.753368|2.756048|3.226870|0.219356|0.173714|0.500000|
|5.973396|8.941110|17.521096|8.983742|7.126847|4.646710|4.269442|5.395790|3.206130|2.801905|2.900038|3.583485|0.129277|0.151306|0.207770|0.500000|
|7.257555|8.945154|17.516412|8.911839|5.862568|4.388989|4.520527|6.498140|3.443457|2.861194|2.826907|3.312094|0.143100|0.217080|0.172293|0.302919|0.500000|
|3.653082|4.828178|6.562955|8.879163|17.705065|8.408101|5.760360|5.667049|4.046581|3.779672|4.298913|6.365271|0.087915|0.093598|0.136746|0.203705|0.144571|0.500000|
|4.604632|5.174137|6.413661|8.801985|6.221161|6.208089|8.793366|17.482525|6.315628|4.371807|3.914216|4.275088|0.106114|0.131244|0.123370|0.135942|0.186932|0.130418|0.500000|
|5.366622|6.284349|6.405016|8.790629|6.214805|6.203823|8.788936|17.502663|6.317665|4.371904|3.913496|4.273296|0.127940|0.137286|0.160862|0.134171|0.159241|0.130263|0.303086|0.500000|
|2.806725|3.065500|3.426092|4.481297|4.397487|5.917907|8.897469|6.393100|17.469630|8.915914|5.933369|5.031038|0.070840|0.077529|0.081466|0.083695|0.093716|0.099454|0.181650|0.156047|0.500000|
|2.954520|3.254427|3.426101|4.482222|4.398454|5.919600|8.898573|6.395806|17.469767|8.915863|5.934329|5.032291|0.076309|0.078718|0.089898|0.083315|0.089612|0.099453|0.155959|0.181776|0.305367|0.500000|
|2.196296|2.414254|2.617263|3.284849|3.558799|4.897629|5.505456|3.935098|8.621506|17.677133|9.192428|5.486885|0.057124|0.059290|0.067178|0.067409|0.069386|0.086546|0.102373|0.102384|0.208331|0.208283|0.500000|
|2.100042|2.373783|2.633224|3.310697|3.953715|5.504060|4.898106|3.538815|5.485624|9.191959|17.677792|8.623217|0.054399|0.056039|0.067270|0.070653|0.068256|0.101802|0.089237|0.089223|0.129202|0.129214|0.222969|0.500000|
|2.582015|3.084854|3.495661|4.610569|6.431611|8.909380|5.924077|4.371174|5.033253|5.933850|8.910370|17.476440|0.066063|0.066912|0.090365|0.096346|0.085419|0.173501|0.101940|0.108150|0.113082|0.121771|0.129185|0.208056|0.500000|
|2.481719|2.922768|3.496233|4.610625|6.432096|8.909919|5.924588|4.370700|5.033084|5.933788|8.910310|17.476603|0.062419|0.066180|0.081819|0.096956|0.088964|0.173627|0.108204|0.101905|0.121733|0.113098|0.129186|0.208062|0.305199|0.500000|
462.232201
-2358.291904
860.192188
-67.374206
-1103.241721
640.731089
-462.510632
2.000602
4038000000000000
4192551428000000
412B490C23B88EE2
40CC7A7FFFFFFFFF
C022000000000000
415CB0EF80000000