Version2.5
2022-04-05T12:46:24Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
08-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(C)C12C=CC(C=C1)C2C#C
RHF
6-31G(d)
(6D,7F)
CC(C)C12C=CC(C=C1)C2C#C
C1[X(C12H14)]
72
C1
208
CC(C)C12C=CC(C=C1)C2C#C
C#CC1C2C=CC1(C=C2)C(C)C
CC(C)C12C=CC(C=C1)C2C#C
InChIKey=SIWAVIPGVFNQHO-UHFFFAOYSA-N
InChI=1S/C12H14/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h1,5-11H,2-3H3
InChI=1/C12H14/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h1,5-11H,2-3H3
CC(C)C12C=CC(C=C1)C2C#C
C01[X(C12H14)]
72
C1
208
CC(C)C12C=CC(C=C1)C2C#C
CC[C@@H]1[C@@H]2CC[C@]1(CC2)C(C)C
CC[C@@H]1C2CCC1(CC2)C(C)C
InChIKey=VUBLRRPBLFAPCY-UTUOFQBUSA-N
InChI=1S/C12H22/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-,12+/m1/s1
InChI=1/C12H22/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-,12+/m1/s1
4.621851786525D+02
-2.451978240986D+03
687.6561909656
-462.4261605
1-A
1823.0908
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|
0.14390 0.21323 0.22719 0.22980 0.24056 0.26906 0.27268 0.27984 0.28289 0.28983 0.30918 0.31986 0.32653 0.32826 0.33424 0.34962 0.36133 0.37807 0.38491 0.40604 0.40903 0.42806 0.44331 0.46699 0.47706 0.49080 0.52469 0.55082 0.56946 0.61376 0.62991 0.68017 0.68688 0.70228 0.72199 0.74906 0.75555 0.77780 0.80066 0.80419 0.83187 0.84563 0.85586 0.89088 0.89385 0.89693 0.91532 0.93715 0.94806 0.95013 0.96884 0.97613 0.99085 1.00768 1.01914 1.04028 1.07368 1.07775 1.08601 1.09939 1.10865 1.12809 1.13262 1.14377 1.15641 1.17454 1.18035 1.18365 1.19641 1.19705 1.21189 1.21738 1.23739 1.26222 1.27240 1.29391 1.31605 1.33794 1.34319 1.37495 1.41270 1.48380 1.51522 1.56805 1.58088 1.60397 1.63108 1.66632 1.71444 1.73914 1.77711 1.78404 1.79117 1.82921 1.83130 1.84165 1.86165 1.90997 1.95505 2.00252 2.01925 2.04509 2.08699 2.09325 2.11355 2.13947 2.14867 2.16042 2.19913 2.22680 2.23399 2.26269 2.27697 2.31876 2.32946 2.37073 2.39120 2.40044 2.40524 2.45685 2.49120 2.49269 2.51329 2.53278 2.56890 2.59305 2.61577 2.63019 2.64993 2.65534 2.70091 2.74251 2.75086 2.76729 2.79305 2.81915 2.84600 2.90105 2.90804 2.92634 3.00661 3.04777 3.06380 3.09699 3.12468 3.14024 3.21485 3.24646 3.27801 3.32174 3.34009 3.39940 3.83964 4.61562 4.64382 4.65696 4.68525 4.73762 4.75273 4.85503 4.92809 4.97190 5.09534 5.22081 5.30060
12.64639
0.2148 -0.4719 0.0315
0.5195
|XX|YY|ZZ|XY|XZ|YZ|
-70.1726 -70.1293 -72.4168 0.5293 0.1532 2.2932
|XX|YY|ZZ|XY|XZ|YZ|
0.7336 0.7769 -1.5106 0.5293 0.1532 2.2932
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-2.5897 18.7531 5.9358 -10.6859 -3.0136 1.4925 -0.5841 -3.5717 1.3292 -2.0628
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1222.9877 -756.7395 -434.4427 18.7322 -8.0729 -56.1721 49.4433 2.2239 -5.3066 -312.7507 -278.5996 -218.7706 12.1684 -12.5758 6.9547
0
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158.10955
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|
74.5967 116.3012 164.3643 199.1763 228.4625 237.3050 270.6817 343.7359 393.2923 427.2713 455.4598 478.1750 510.0854 530.0846 559.8631 646.7912 672.2837 750.1654 786.9621 791.9889 807.5439 836.0895 889.1349 900.9665 943.8567 979.4352 993.3048 1013.6311 1031.8145 1045.4935 1055.4046 1059.1585 1075.4223 1119.5188 1133.8957 1167.0483 1193.1607 1246.2753 1257.8604 1296.1057 1325.9882 1361.1763 1376.5504 1397.4761 1444.7030 1480.6415 1488.5534 1503.5167 1514.9165 1559.5559 1576.5706 1634.1679 1641.6934 1651.9496 1658.3819 1782.5766 1829.2972 2406.1697 3199.8531 3200.7568 3207.1028 3255.5094 3265.2437 3269.1337 3272.0373 3279.6999 3300.5883 3388.9891 3393.2252 3415.7374 3420.4673 3663.2146
2.5141 3.9184 3.4744 2.6125 2.7307 1.0862 1.2540 2.5948 3.1734 3.2915 2.9589 2.8615 3.1289 3.8310 3.3132 3.1190 2.7350 1.3309 1.2995 4.0501 1.3802 2.0151 4.0475 3.3647 2.5844 2.8379 2.3856 1.1723 2.2388 1.5242 1.3541 2.2655 1.7077 2.5347 2.6560 1.7755 1.0696 1.5260 2.4805 2.0118 1.5867 1.6586 1.5870 1.3752 1.7539 1.5976 1.3498 1.4419 1.5944 1.2873 1.2400 1.0482 1.0473 1.0574 1.0512 5.9248 6.3914 5.7357 1.0563 1.0653 1.0376 1.1030 1.1017 1.0936 1.0989 1.0957 1.0900 1.0871 1.0871 1.1082 1.1089 1.1690
0.0082 0.0312 0.0553 0.0611 0.0840 0.0360 0.0541 0.1806 0.2892 0.3540 0.3616 0.3855 0.4796 0.6342 0.6119 0.7688 0.7283 0.4413 0.4742 1.4968 0.5303 0.8300 1.8853 1.6092 1.3565 1.6040 1.3868 0.7096 1.4043 0.9816 0.8886 1.4974 1.1636 1.8717 2.0120 1.4248 0.8972 1.3965 2.3124 1.9913 1.6437 1.8106 1.7718 1.5823 2.1568 2.0636 1.7621 1.9204 2.1559 1.8447 1.8159 1.6492 1.6630 1.7001 1.7034 11.0922 12.6013 19.5652 6.3723 6.4305 6.2880 6.8873 6.9205 6.8863 6.9315 6.9441 6.9964 7.3561 7.3749 7.6176 7.6439 9.2426
0.0080 0.0457 0.4158 0.2309 0.5205 0.0058 0.1825 0.5767 1.0908 3.7708 2.5913 0.2616 0.8167 5.5587 1.0607 0.1443 0.3580 30.6057 50.7030 0.4017 46.4515 52.0560 6.6173 14.6207 0.1655 4.4608 9.2007 0.3501 4.2944 0.4613 0.2075 1.5192 5.2273 5.4674 2.9482 2.6923 0.4006 5.5583 1.1724 0.7565 5.2061 0.2731 0.1395 0.3139 1.0404 23.0730 1.8228 13.8538 4.1006 4.6149 5.1297 0.2311 2.3601 2.4154 7.7373 4.0554 0.8178 0.3451 19.2035 21.9950 32.3762 2.6075 102.0883 11.1662 68.9715 27.2332 40.6196 5.8588 10.7821 22.0245 15.6717 56.4505
0.6741 5.5833 4.3437 1.5564 5.1105 0.1109 0.3882 2.1849 4.4099 1.9600 3.9089 3.6747 3.4892 4.2153 8.1911 6.6209 9.3711 0.2818 2.6476 1.5110 2.4537 5.1933 7.0954 2.8705 5.6286 6.8386 4.1165 0.2491 2.0670 6.4993 0.2907 8.3680 0.7543 3.2476 4.6812 15.6910 2.3171 12.5371 7.8127 1.3283 8.4543 13.6438 4.8904 4.0445 0.9346 3.1568 5.5080 4.2530 3.7454 0.9984 1.4670 17.1537 10.1831 29.0072 1.8191 3.2887 28.0086 151.2592 39.6674 31.5278 189.7139 9.4058 127.6087 74.5691 27.0952 63.3561 115.9298 97.5077 70.7468 117.3845 173.7049 33.4181
0.7499 0.7376 0.7040 0.7466 0.7418 0.5522 0.7262 0.3938 0.7457 0.5018 0.5370 0.5715 0.5850 0.4313 0.6072 0.5725 0.1254 0.6339 0.6706 0.7498 0.7004 0.1079 0.1831 0.5262 0.4054 0.0940 0.4193 0.6786 0.7131 0.7429 0.7373 0.3807 0.7270 0.5949 0.7432 0.7497 0.7461 0.3764 0.6857 0.5977 0.3326 0.4667 0.6635 0.6138 0.7233 0.7424 0.7430 0.4324 0.4121 0.7492 0.7488 0.7491 0.7466 0.7311 0.4936 0.6564 0.1836 0.2932 0.3195 0.6885 0.0210 0.6450 0.5640 0.6066 0.6581 0.5054 0.3279 0.7083 0.7119 0.3070 0.0610 0.2460
0.8571 0.8490 0.8263 0.8549 0.8518 0.7115 0.8414 0.5651 0.8543 0.6682 0.6987 0.7273 0.7382 0.6027 0.7556 0.7282 0.2229 0.7759 0.8028 0.8570 0.8238 0.1948 0.3095 0.6896 0.5769 0.1718 0.5909 0.8085 0.8325 0.8525 0.8488 0.5514 0.8419 0.7460 0.8527 0.8569 0.8546 0.5469 0.8135 0.7482 0.4992 0.6364 0.7977 0.7607 0.8395 0.8521 0.8525 0.6038 0.5837 0.8566 0.8563 0.8566 0.8549 0.8447 0.6609 0.7926 0.3102 0.4534 0.4843 0.8155 0.0412 0.7842 0.7212 0.7551 0.7938 0.6715 0.4938 0.8293 0.8317 0.4698 0.1149 0.3949
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
1433.26275 1849.88157 2417.28967
0.99939 0.03505 0.00034 -0.03505 0.99938 -0.00237 -0.00043 0.00235 1.00000
1
0.06043 0.04682 0.03583
1.25918 0.97560 0.74660
107.33 167.33 236.48 286.57 328.71 341.43 389.45 494.56 565.86 614.75 655.31 687.99 733.90 762.67 805.52 930.59 967.27 1079.32 1132.26 1139.50 1161.88 1202.95 1279.27 1296.29 1358.00 1409.19 1429.14 1458.39 1484.55 1504.23 1518.49 1523.89 1547.29 1610.74 1631.42 1679.12 1716.69 1793.11 1809.78 1864.81 1907.80 1958.43 1980.55 2010.66 2078.61 2130.31 2141.70 2163.23 2179.63 2243.85 2268.33 2351.20 2362.03 2376.79 2386.04 2564.73 2631.95 3461.94 4603.87 4605.18 4614.31 4683.95 4697.96 4703.55 4707.73 4718.76 4748.81 4876.00 4882.09 4914.48 4921.29 5270.55
0.238860
0.249195
0.250139
0.203535
-462.187300
-462.176966
-462.176022
-462.222625
1.563072D-04
MUNgauss
RevisionA2.1
retrievium
05-Apr-2022
GDB_13 Smiles: CC(C)C12C=CC(C=C1)C2C#C
RHF
6-31G(d)
(6D,10F)
C1
158.109551
|X|Y|Z|
29.704316 24.894689 17.916555
23.662480
7
|36.858105|
|12.414677|36.858105|
|7.570075|12.429380|36.858105|
|7.491338|12.427111|7.471009|36.858105|
|5.995952|7.216699|5.958182|12.326947|36.858105|
|4.309031|5.126880|4.502803|8.207980|14.447030|36.858105|
|4.011071|5.092984|4.304849|8.456309|8.275769|12.410642|36.858105|
|4.306208|5.153412|3.945480|8.199595|6.788331|7.695725|12.405155|36.858105|
|5.988570|7.291309|4.817263|12.317444|7.699628|6.800838|8.286475|14.467483|36.858105|
|4.761853|7.149059|6.092688|12.131520|8.179581|8.183615|12.241720|8.100319|8.102054|36.858105|
|4.097232|5.920870|5.169888|7.361551|5.105762|5.110372|7.396882|6.518864|6.509848|12.952805|36.858105|
|3.511026|4.737291|4.296664|5.212519|3.888716|3.891294|5.224940|5.020382|5.014203|7.168058|16.038570|36.858105|
|17.540989|8.733493|6.873506|6.654770|6.495136|4.495805|3.879848|4.000465|5.219928|4.399868|3.634094|3.098962|0.500000|
|17.546679|8.794607|6.909801|5.473074|4.539806|3.493367|3.327006|3.530066|4.620598|3.955642|3.610944|3.227497|0.302387|0.500000|
|17.561600|8.707995|5.479394|6.867704|5.512827|4.169020|3.980599|4.618976|6.706289|4.443038|3.916612|3.403129|0.301870|0.302301|0.500000|
|8.931758|17.518855|8.944404|8.999130|5.411558|4.304711|4.656813|4.958660|6.922960|6.550747|6.491379|5.508066|0.173477|0.216169|0.210949|0.500000|
|6.745866|8.739888|17.532350|6.762904|6.582678|4.821416|4.232646|3.744890|4.412641|5.561438|4.423247|3.664719|0.200164|0.166064|0.138611|0.173592|0.500000|
|5.489826|8.738375|17.569796|6.735787|5.336456|4.391372|4.446458|3.900126|4.517102|6.752767|6.070861|5.035554|0.139297|0.142050|0.122258|0.215466|0.301279|0.500000|
|7.034924|8.798322|17.545100|5.461375|4.555031|3.605878|3.481575|3.311885|4.000756|4.599988|4.232067|3.753804|0.174682|0.211609|0.142160|0.212795|0.301882|0.302465|0.500000|
|6.256276|6.486637|5.778427|8.178144|17.749493|8.876155|5.677117|5.053196|5.812469|5.751777|4.064113|3.264503|0.216307|0.132292|0.154263|0.133523|0.194035|0.135912|0.127770|0.500000|
|3.592577|4.038554|3.723903|5.642637|8.849941|17.744761|8.210348|5.820726|5.061389|5.759119|4.072390|3.270277|0.106581|0.083478|0.097281|0.096579|0.113136|0.101355|0.085931|0.201222|0.500000|
|3.275631|4.023668|3.602377|5.783184|5.838776|8.516776|17.625069|8.517605|5.844077|8.423000|6.481635|4.965417|0.088611|0.078123|0.090388|0.105676|0.098949|0.106103|0.083421|0.123780|0.199815|0.500000|
|3.589190|4.059981|3.238825|5.638763|5.048282|5.811468|8.208404|17.752131|8.853488|5.720075|5.191476|4.380157|0.093465|0.084490|0.108996|0.111667|0.085961|0.089345|0.078049|0.112936|0.136787|0.199952|0.500000|
|6.251849|6.590356|4.338092|8.186974|5.807219|5.053856|5.680538|8.876902|17.751697|5.718175|5.183017|4.373694|0.144720|0.136651|0.221820|0.186107|0.109234|0.110408|0.105451|0.136384|0.113051|0.123849|0.201032|0.500000|
|4.345555|6.323407|6.505917|8.624224|7.538486|7.554474|8.693244|5.719965|5.715099|17.605913|9.152177|6.050430|0.116124|0.103239|0.108351|0.155152|0.174673|0.217748|0.133456|0.158328|0.158790|0.198632|0.123146|0.122927|0.500000|
|3.059956|3.911034|3.633464|4.095052|3.205069|3.207170|4.102427|4.069115|4.064062|5.128775|8.487389|18.026152|0.075343|0.080284|0.083156|0.127181|0.087005|0.116254|0.092013|0.077044|0.077179|0.111623|0.103693|0.103527|0.127291|0.500000|
462.185081
-2451.977286
907.042520
-67.332715
-1150.082400
687.656240
-462.426159
2.000522
4038000000000005
4190DF5500000002
41291CC5F417D062
40A2000000000000
BBE79CA100000000
410B093FFFFFFFFF