Version2.5
2022-04-05T07:18:33Z
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: CC=CC12CC(C1)(CC=C2)C#C
RHF
6-31G(d)
(6D,7F)
CC=CC12CC(C1)(CC=C2)C#C
C1[X(C12H14)]
72
C1
208
CC=CC12CC(C1)(CC=C2)C#C
CC=CC12C=CCC(C1)(C2)C#C
CC=CC12CC(CC=C1)(C2)C#C
InChIKey=VUSZAKHBOSCRHD-UHFFFAOYSA-N
InChI=1S/C12H14/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h2-3,5-6,8H,7,9-10H2,1H3
InChI=1/C12H14/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h2-3,5-6,8H,7,9-10H2,1H3
CC=CC12CC(C1)(CC=C2)C#C
C01[X(C12H14)]
72
C1
208
CC=CC12CC(C1)(CC=C2)C#C
CCC[C@]12CCC[C@](C1)(C2)CC
CCCC12CCCC(CC)(C1)C2
InChIKey=KYIVUCWXBPDPAD-TXEJJXNPSA-N
InChI=1S/C12H22/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h3-10H2,1-2H3/t11-,12+
InChI=1/C12H22/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h3-10H2,1-2H3/t11-,12+
4.621911537894D+02
-2.386443995401D+03
655.0060145520
-462.4378858
1-A
2447.7108
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|
0.16972 0.19062 0.22809 0.24036 0.24491 0.25045 0.26114 0.27110 0.27886 0.29842 0.30856 0.31532 0.31879 0.32705 0.33010 0.33913 0.35696 0.36935 0.39963 0.40673 0.41201 0.42486 0.42648 0.46437 0.46515 0.52250 0.53914 0.56037 0.60553 0.63233 0.68062 0.70268 0.72078 0.72281 0.73374 0.74431 0.76066 0.78669 0.79301 0.79784 0.81968 0.82980 0.85919 0.86431 0.87457 0.89008 0.89899 0.92030 0.93977 0.94502 0.94672 0.95923 0.97922 0.98526 1.01724 1.02550 1.04998 1.07285 1.08908 1.11046 1.11871 1.13274 1.13811 1.14322 1.15265 1.16322 1.16403 1.19099 1.19480 1.21028 1.22094 1.22834 1.23304 1.23516 1.24430 1.25728 1.28262 1.33287 1.36166 1.38508 1.44930 1.46553 1.49094 1.50677 1.56841 1.57418 1.61037 1.63081 1.67404 1.70291 1.76900 1.79015 1.79808 1.84875 1.85331 1.86189 1.90052 1.90594 1.93229 1.97958 2.00092 2.01199 2.06894 2.08975 2.10603 2.11547 2.18230 2.19609 2.22406 2.23524 2.26665 2.26976 2.27807 2.29355 2.30633 2.31395 2.34045 2.37597 2.40588 2.41723 2.45042 2.49362 2.50830 2.54974 2.55729 2.58480 2.59009 2.64344 2.67384 2.68176 2.69504 2.70358 2.74234 2.75108 2.78959 2.80043 2.81387 2.86388 2.90840 2.95124 2.95196 2.99836 3.04899 3.07307 3.10754 3.12652 3.21066 3.27333 3.27802 3.33375 3.43391 3.51650 3.85428 4.56741 4.62745 4.65022 4.65950 4.68186 4.75113 4.78893 4.83457 4.91843 5.00485 5.15414 5.49817
13.58136
0.5971 0.2834 0.0041
0.6609
|XX|YY|ZZ|XY|XZ|YZ|
-68.5052 -68.9487 -75.3113 1.2071 0.0360 0.0741
|XX|YY|ZZ|XY|XZ|YZ|
2.4165 1.9730 -4.3895 1.2071 0.0360 0.0741
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-4.1699 2.0530 0.0740 -6.4029 -11.8603 0.3477 0.8633 0.8864 -0.0876 0.2112
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-2327.2749 -641.1986 -208.1195 121.1659 0.2283 13.5528 0.3036 0.4701 0.0552 -463.3216 -475.0504 -158.6542 -0.1542 -0.5107 -7.4464
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|
-10.8391 111.8852 135.9801 163.9768 194.6309 207.7692 286.3933 356.1611 374.2344 377.6051 424.9516 451.4955 494.0412 533.5933 594.8424 603.5621 660.2615 747.3518 780.7334 793.6104 798.6533 802.5289 880.8111 966.8878 978.5578 1014.9310 1018.1613 1033.7202 1053.6579 1084.7161 1088.8041 1099.4758 1124.1510 1162.9577 1182.1151 1193.6208 1201.3619 1204.9627 1294.3575 1324.2332 1352.5553 1361.1042 1369.2749 1398.4677 1418.8146 1460.1852 1475.6035 1517.1711 1549.2500 1567.6078 1625.5562 1628.7207 1629.7079 1638.7727 1661.0622 1865.5165 1909.3247 2406.6554 3192.5881 3198.7382 3228.1784 3232.5853 3238.8615 3241.2637 3272.1427 3290.9021 3293.4739 3303.2984 3345.9747 3354.0383 3396.7375 3662.8289
2.1093 3.8579 2.0613 2.9107 3.3367 1.2386 2.2520 3.5643 2.6303 3.7994 2.5547 4.7410 2.5234 1.9076 3.9158 3.1053 3.9424 3.6725 1.4720 2.8448 1.3995 1.3383 1.6250 4.4567 1.8395 2.2811 1.8027 1.9216 2.0385 2.1141 1.5211 1.6584 1.1559 2.0717 1.5374 1.6220 1.9045 1.7558 1.3927 2.5242 1.3441 2.0603 1.3103 2.3007 1.7298 1.3459 1.3831 1.7702 1.6753 1.2699 1.0457 1.0964 1.1006 1.0517 1.1343 6.5887 5.7257 5.7528 1.0377 1.0604 1.1040 1.0583 1.1015 1.0599 1.1015 1.1106 1.1083 1.0918 1.0890 1.0909 1.0956 1.1689
0.0001 0.0285 0.0225 0.0461 0.0745 0.0315 0.1088 0.2664 0.2170 0.3192 0.2718 0.5694 0.3629 0.3200 0.8164 0.6665 1.0126 1.2086 0.5286 1.0556 0.5259 0.5079 0.7428 2.4548 1.0378 1.3844 1.1011 1.2098 1.3334 1.4656 1.0624 1.1812 0.8606 1.6508 1.2658 1.3616 1.6195 1.5020 1.3747 2.6080 1.4487 2.2488 1.4474 2.6510 2.0516 1.6907 1.7744 2.4007 2.3691 1.8387 1.6280 1.7137 1.7222 1.6641 1.8440 13.5097 12.2981 19.6315 6.2320 6.3926 6.7784 6.5155 6.8081 6.5608 6.9485 7.0867 7.0831 7.0195 7.1831 7.2308 7.4475 9.2397
0.0289 0.0245 0.3921 0.1204 0.8249 0.4493 0.0632 0.4407 0.0052 1.2655 5.5285 0.0116 0.0589 0.6961 8.3392 8.9572 3.1480 1.5876 26.6835 3.7001 43.3637 51.2357 2.0790 1.3358 1.8120 8.8858 7.0618 0.1878 0.8672 6.2626 0.0188 0.4969 31.7904 0.2214 2.1601 2.7714 2.7203 0.4230 3.1467 2.0513 0.0532 8.3230 1.4874 3.1262 7.3083 0.1993 2.5630 8.8051 4.8861 5.4908 4.7783 1.0802 0.6429 5.5224 0.4453 4.8620 0.4507 2.3488 61.8936 43.5680 20.1669 56.4128 42.0029 14.5514 21.7392 25.5466 18.4315 49.3087 40.4547 2.1697 32.0409 66.6806
2.5867 2.8699 2.2233 2.4164 7.3569 0.7406 6.4394 3.2134 4.4098 4.5305 1.9805 3.5265 1.2194 8.8548 4.0266 1.7801 0.6289 6.2329 3.3411 2.1726 2.3921 3.9993 10.2869 23.8800 8.7163 3.1962 7.7282 2.9796 3.6109 3.2963 1.9412 9.4511 2.5363 5.4647 1.5113 4.8993 6.0531 5.7824 12.0608 20.7866 1.4579 6.8591 7.2554 4.1604 2.8938 44.0633 9.4059 1.3619 0.4796 15.0841 17.8582 6.8455 26.5271 38.7400 13.3776 38.5724 86.5538 215.3808 198.7341 134.5052 92.6009 2.0691 134.6615 158.2337 66.4962 47.9512 51.7411 90.4685 89.8782 49.3622 118.3882 33.4131
0.7498 0.7365 0.7498 0.7500 0.7309 0.7493 0.7499 0.2461 0.7486 0.1204 0.7493 0.3442 0.2804 0.7499 0.5611 0.7499 0.1509 0.2612 0.7493 0.4759 0.6361 0.7500 0.7496 0.0344 0.7500 0.5418 0.3344 0.7499 0.4515 0.6404 0.7465 0.7499 0.7490 0.7299 0.7499 0.7498 0.7474 0.7496 0.7498 0.2037 0.7499 0.6540 0.7499 0.5939 0.3313 0.2932 0.5393 0.2256 0.7456 0.5802 0.7500 0.7498 0.6460 0.6162 0.6896 0.1766 0.3091 0.2947 0.0676 0.1657 0.7500 0.7216 0.7500 0.1365 0.7347 0.7490 0.5355 0.4461 0.3441 0.4479 0.1678 0.2431
0.8570 0.8483 0.8570 0.8571 0.8445 0.8567 0.8571 0.3950 0.8562 0.2149 0.8567 0.5121 0.4380 0.8571 0.7189 0.8570 0.2622 0.4142 0.8567 0.6449 0.7776 0.8571 0.8569 0.0665 0.8571 0.7029 0.5012 0.8571 0.6221 0.7808 0.8548 0.8571 0.8565 0.8439 0.8571 0.8570 0.8555 0.8569 0.8570 0.3385 0.8571 0.7908 0.8571 0.7452 0.4977 0.4535 0.7007 0.3682 0.8543 0.7344 0.8571 0.8570 0.7849 0.7625 0.8163 0.3002 0.4723 0.4552 0.1266 0.2842 0.8571 0.8383 0.8571 0.2402 0.8471 0.8565 0.6975 0.6170 0.5120 0.6187 0.2874 0.3911
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
892.78296 3227.41350 3825.63248
0.99990 -0.01412 0.00013 0.01412 0.99990 0.00063 -0.00013 -0.00063 1.00000
1
0.09702 0.02684 0.02264
2.02148 0.55919 0.47175
160.98 195.64 235.93 280.03 298.93 412.06 512.44 538.44 543.29 611.41 649.60 710.82 767.72 855.85 868.39 949.97 1075.27 1123.30 1141.83 1149.08 1154.66 1267.29 1391.14 1407.93 1460.26 1464.91 1487.29 1515.98 1560.66 1566.55 1581.90 1617.40 1673.24 1700.80 1717.35 1728.49 1733.67 1862.29 1905.28 1946.03 1958.33 1970.08 2012.08 2041.36 2100.88 2123.06 2182.87 2229.03 2255.44 2338.81 2343.37 2344.79 2357.83 2389.90 2684.06 2747.09 3462.64 4593.42 4602.27 4644.63 4650.97 4660.00 4663.46 4707.88 4734.87 4738.57 4752.71 4814.11 4825.71 4887.15 5269.99
0.238954
0.248768
0.249712
0.204033
-462.198932
-462.189118
-462.188174
-462.233852
1.532048D-04
MUNgauss
RevisionA2.1
retrievium
05-Apr-2022
GDB_13 Smiles: CC=CC12CC(C1)(CC=C2)C#C
RHF
6-31G(d)
(6D,10F)
C1
158.109551
|X|Y|Z|
42.444496 22.168633 12.438898
22.704611
7
|36.858105|
|12.669380|36.858105|
|7.619022|14.425367|36.858105|
|4.840795|7.484042|12.694575|36.858105|
|3.802350|5.064143|7.293826|12.235647|36.858105|
|3.172723|4.076898|5.433476|8.910727|12.284775|36.858105|
|3.817469|5.098168|7.297327|12.234822|8.988110|12.286518|36.858105|
|2.852902|3.654322|4.431811|6.807968|7.530726|12.360669|7.533061|36.858105|
|3.247149|4.366154|5.040292|7.799081|6.759208|7.630075|6.757534|12.620180|36.858105|
|4.186773|6.252162|7.376732|12.531327|7.694267|7.032596|7.690055|7.771152|14.433525|36.858105|
|2.656779|3.203375|4.060261|5.461567|7.356080|13.000148|7.356438|7.647144|5.005346|4.566910|36.858105|
|2.327123|2.708154|3.314119|4.110930|5.215004|7.179716|5.214961|5.395564|3.862176|3.555357|16.036156|36.858105|
|17.524398|8.871083|5.933359|4.175484|3.280048|2.874143|3.492931|2.636435|3.003940|3.779310|2.438060|2.155934|0.500000|
|17.568293|8.848451|7.187438|4.590245|3.781885|3.146919|3.784640|2.741682|3.001168|3.759097|2.699311|2.388379|0.301023|0.500000|
|17.524150|8.870520|5.932948|4.173486|3.467621|2.867648|3.286629|2.634964|3.008936|3.790813|2.430472|2.148665|0.302821|0.301027|0.500000|
|8.698706|17.689695|9.140536|6.764208|4.630211|3.877165|4.678474|3.712141|4.735269|6.962381|3.022948|2.557462|0.207671|0.171674|0.207613|0.500000|
|7.078605|9.245856|17.628769|8.782315|6.714223|5.074901|6.657950|3.931575|4.138469|5.410381|4.073153|3.403439|0.153435|0.221920|0.153378|0.174747|0.500000|
|3.523833|4.576339|5.905718|8.381174|17.586032|8.386002|6.133050|6.951269|6.616424|7.083152|5.950141|4.550316|0.084353|0.095722|0.092872|0.121292|0.148347|0.500000|
|3.806883|4.771899|6.905884|8.649440|17.574986|8.719587|7.491318|5.494190|4.903512|5.546594|6.958159|5.314142|0.090254|0.110219|0.096164|0.115499|0.206940|0.298386|0.500000|
|3.825178|4.806045|6.910435|8.649912|7.490748|8.718816|17.575768|5.494885|4.902774|5.545041|6.956984|5.313130|0.097142|0.110335|0.090356|0.116654|0.204468|0.146040|0.211925|0.500000|
|3.547036|4.624704|5.910197|8.382249|6.133200|8.386128|17.585806|6.954397|6.614068|7.078320|5.949542|4.549607|0.093800|0.095841|0.084843|0.123456|0.146882|0.132347|0.146047|0.298391|0.500000|
|2.579503|3.211268|3.792746|5.360101|6.601377|8.800737|5.495746|17.518066|8.871180|6.008987|6.978619|5.314376|0.065982|0.069207|0.067557|0.090705|0.095640|0.193321|0.140294|0.122785|0.139202|0.500000|
|2.583850|3.219047|3.794022|5.361400|5.494988|8.800727|6.605389|17.518190|8.868259|6.008756|6.977103|5.313022|0.067742|0.069237|0.066073|0.091107|0.095484|0.139160|0.122783|0.140347|0.193498|0.303577|0.500000|
|2.910372|3.764648|4.075329|5.525907|4.965214|5.449293|4.962528|8.532513|17.694109|9.090111|4.054857|3.305478|0.076161|0.074108|0.076365|0.116957|0.094947|0.141932|0.107641|0.107600|0.141789|0.204352|0.204135|0.500000|
|4.553655|6.920125|6.831183|8.415926|5.651174|5.045137|5.643822|5.531382|9.130774|17.742419|3.635212|2.963616|0.115718|0.108014|0.116567|0.252781|0.137435|0.153182|0.124457|0.124346|0.152853|0.129360|0.129294|0.217142|0.500000|
|2.087874|2.373751|2.832970|3.361112|4.097165|5.134575|4.097043|4.216584|3.198953|2.969912|8.486376|18.025531|0.054126|0.059815|0.053940|0.062414|0.081551|0.103045|0.118379|0.118357|0.103027|0.118238|0.118210|0.078444|0.070701|0.500000|
462.191230
-2386.444189
874.149027
-67.340016
-1117.443948
655.006062
-462.437886
2.000534
3D08FFFFFFFFFFFE
41912EAEBFFFFFFE
412992E05F417D03
40B1B80000000001
3BE79CA100000000
410AF7BFFFFFFFFE