Version2.5
2022-04-05T19:18:23Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
09-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(CC=C1)C2C#C
RHF
6-31G(d)
(6D,7F)
CC#CC12CC(CC=C1)C2C#C
C1[X(C12H12)]
66
C1
204
CC#CC12CC(CC=C1)C2C#C
C#CC1C2CC=CC1(C2)C#CC
CC#CC12CC(CC=C1)C2C#C
InChIKey=XFFFMJKBZIQAQN-UHFFFAOYSA-N
InChI=1S/C12H12/c1-3-7-12-8-5-6-10(9-12)11(12)4-2/h2,5,8,10-11H,6,9H2,1H3
InChI=1/C12H12/c1-3-7-12-8-5-6-10(9-12)11(12)4-2/h2,5,8,10-11H,6,9H2,1H3
CC#CC12CC(CC=C1)C2C#C
C01[X(C12H12)]
66
C1
204
CC#CC12CC(CC=C1)C2C#C
CCC[C@]12CCC[C@H](C1)[C@H]2CC
CCC[C@]12CCC[C@H](C1)[C@H]2CC
InChIKey=JCUJBDPEWJXVLJ-UTUOFQBUSA-N
InChI=1S/C12H22/c1-3-7-12-8-5-6-10(9-12)11(12)4-2/h10-11H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChI=1/C12H22/c1-3-7-12-8-5-6-10(9-12)11(12)4-2/h10-11H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
4.609632735456D+02
-2.339356827224D+03
632.6477198516
-461.2363274
1-A
2171.9340
42
162
204
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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|
0.17158 0.20759 0.22028 0.23529 0.23915 0.25167 0.25742 0.27854 0.28250 0.29166 0.31096 0.31744 0.33086 0.33620 0.34009 0.35026 0.35805 0.37417 0.39263 0.40438 0.40973 0.42713 0.46662 0.50419 0.52173 0.52786 0.55240 0.59972 0.62189 0.63313 0.67531 0.70683 0.71608 0.72487 0.72976 0.76445 0.79587 0.80847 0.82591 0.83637 0.85350 0.86326 0.86644 0.87675 0.90039 0.92152 0.92933 0.93298 0.95716 0.96275 0.98175 0.98252 1.00364 1.01400 1.07304 1.08400 1.10214 1.10946 1.11562 1.12312 1.12886 1.13827 1.14321 1.15755 1.15817 1.17303 1.19014 1.19285 1.20373 1.21560 1.22421 1.22958 1.24665 1.30226 1.31913 1.32926 1.39679 1.43720 1.45024 1.51922 1.53807 1.57476 1.58713 1.60038 1.71325 1.74253 1.77040 1.79488 1.80820 1.81881 1.83335 1.84030 1.84439 1.86461 1.87674 1.89227 1.92894 1.93246 1.96805 1.99913 2.04921 2.07363 2.09697 2.16532 2.19084 2.20631 2.21338 2.23695 2.25777 2.25844 2.27984 2.28772 2.30665 2.31963 2.33984 2.37523 2.38258 2.41044 2.44318 2.47604 2.51701 2.55481 2.57250 2.58593 2.59421 2.61226 2.66560 2.67242 2.70004 2.72878 2.76101 2.82613 2.84670 2.85912 2.87707 2.91921 2.93370 2.98436 3.03169 3.05969 3.06626 3.16422 3.21100 3.23859 3.26369 3.35740 3.38232 3.45237 3.83334 3.95874 4.55216 4.59741 4.64681 4.67145 4.69689 4.78298 4.84587 4.98032 5.03230 5.11713 5.32792 5.51258
13.74572
0.1330 -0.5130 -0.2162
0.5724
|XX|YY|ZZ|XY|XZ|YZ|
-62.0223 -69.7946 -69.1396 0.8465 -0.5311 1.7326
|XX|YY|ZZ|XY|XZ|YZ|
4.9632 -2.8091 -2.1541 0.8465 -0.5311 1.7326
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
40.2155 18.3682 0.4757 -11.1917 3.3213 4.9037 -0.9790 -2.2077 7.2079 -3.5363
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1691.0900 -613.9166 -360.3469 20.3221 -2.6392 -53.3167 42.1673 -5.2411 -2.4970 -413.8962 -374.3473 -188.9151 5.9197 -15.1769 7.7283
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
-9.7250 73.3526 98.0626 146.3360 158.0124 266.3572 314.9534 344.7459 368.1456 396.5193 438.9924 484.4260 513.6642 552.5239 604.6408 637.9910 712.5128 714.7993 788.2615 805.1364 812.0642 884.3779 916.1091 956.7217 969.4453 1011.1848 1055.8562 1075.2606 1099.3318 1122.1372 1139.8516 1164.4192 1165.0512 1166.4773 1189.5398 1245.6664 1278.5286 1315.8087 1340.5057 1361.3397 1397.0966 1412.5322 1461.3071 1506.4889 1515.3417 1544.3505 1564.4319 1625.7682 1626.1874 1627.9036 1650.9166 1868.9301 2409.2815 2558.6695 3193.3034 3211.5748 3225.9797 3242.6456 3251.4489 3269.3549 3277.7115 3278.7537 3300.8282 3356.0616 3389.6502 3663.8751
1.0151 3.9619 3.4257 4.0018 3.4583 2.7814 3.7893 3.2092 3.5771 4.2380 2.9308 3.2681 3.1580 4.4006 6.1551 3.1924 3.4493 4.9306 1.2998 1.3260 1.7249 3.0741 2.4102 2.9967 2.5686 2.1242 4.3260 1.6721 1.4808 2.3951 2.1367 1.4093 1.4578 2.3068 1.4084 1.3559 1.2668 1.3490 2.2833 1.6899 1.7388 1.6648 1.7071 1.5319 1.4479 1.6569 1.2489 1.0414 1.0416 1.1026 1.1239 6.5088 5.7420 11.9199 1.0638 1.0346 1.1006 1.0621 1.0849 1.0872 1.1031 1.1032 1.1101 1.0885 1.1000 1.1692
0.0001 0.0126 0.0194 0.0505 0.0509 0.1163 0.2215 0.2247 0.2856 0.3926 0.3328 0.4519 0.4909 0.7915 1.3258 0.7656 1.0317 1.4843 0.4758 0.5064 0.6702 1.4166 1.1918 1.6161 1.4223 1.2797 2.8415 1.1391 1.0544 1.7769 1.6356 1.1259 1.1658 1.8493 1.1742 1.2396 1.2201 1.3761 2.4174 1.8452 1.9996 1.9571 2.1478 2.0484 1.9588 2.3283 1.8008 1.6218 1.6229 1.7215 1.8048 13.3948 19.6376 45.9780 6.3914 6.2874 6.7487 6.5797 6.7573 6.8465 6.9827 6.9875 7.1262 7.2231 7.4468 9.2471
0.0002 0.6228 1.4306 0.6645 1.1766 3.0357 3.4001 2.5679 3.8104 0.6685 1.3619 4.5190 4.3111 0.7093 1.6140 2.0535 9.9109 0.7894 52.1394 46.1124 28.8479 1.9057 1.0426 3.7234 0.4217 1.6826 8.9899 1.3268 1.8063 4.7063 1.4070 0.1914 0.5955 1.9065 0.6259 0.7336 1.8151 3.8002 0.6907 15.0937 15.0276 11.3580 0.6053 3.0028 7.4233 5.6556 13.8128 5.0759 5.0768 1.6194 1.1315 4.3689 0.6351 0.8085 50.4339 39.1035 27.7585 28.4690 20.6530 75.1003 19.3636 19.1286 35.6539 15.4886 20.6302 57.3058
0.0072 4.8089 1.2228 5.4830 5.9801 0.5564 2.6335 1.2744 3.9736 4.4286 9.4625 1.7388 18.0030 2.7999 10.1387 8.8826 4.1467 3.9591 3.0258 2.6423 2.3660 10.8699 6.0653 16.0533 6.9035 2.1848 6.6250 5.0498 3.4587 3.9282 1.9218 0.3149 0.3882 2.8083 9.5600 10.2635 12.4257 14.7446 16.5072 11.6875 11.7779 8.0281 5.9751 2.9405 7.9178 10.3766 29.5716 23.0685 22.0667 24.1467 5.8707 15.7153 161.3558 295.0731 144.8550 229.0520 95.9537 53.8320 81.0875 182.2776 114.3380 104.8462 76.5792 104.9186 113.2719 31.1603
0.7060 0.7433 0.7480 0.7106 0.7422 0.6193 0.7499 0.7491 0.5556 0.3713 0.6738 0.5257 0.7430 0.5593 0.7433 0.3431 0.3387 0.2349 0.6724 0.6779 0.7451 0.0478 0.3276 0.2577 0.6268 0.7101 0.4089 0.6910 0.7206 0.7322 0.6792 0.5136 0.4386 0.3370 0.4924 0.7411 0.7416 0.7497 0.1518 0.4453 0.3370 0.3516 0.5011 0.6836 0.1981 0.1775 0.5151 0.7497 0.7496 0.6379 0.7344 0.1834 0.2861 0.3091 0.2191 0.0299 0.7081 0.3259 0.5667 0.0977 0.7492 0.7495 0.7441 0.4695 0.1846 0.2430
0.8276 0.8527 0.8558 0.8309 0.8520 0.7649 0.8571 0.8566 0.7143 0.5415 0.8051 0.6891 0.8525 0.7173 0.8527 0.5109 0.5060 0.3804 0.8041 0.8080 0.8539 0.0913 0.4935 0.4098 0.7706 0.8305 0.5805 0.8173 0.8376 0.8454 0.8089 0.6786 0.6098 0.5041 0.6599 0.8513 0.8516 0.8570 0.2636 0.6162 0.5041 0.5202 0.6676 0.8121 0.3307 0.3014 0.6800 0.8569 0.8569 0.7789 0.8468 0.3100 0.4449 0.4722 0.3595 0.0580 0.8291 0.4915 0.7234 0.1780 0.8566 0.8568 0.8533 0.6390 0.3117 0.3910
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
6 6 6 6 6 6 6 6 6 6 6 6 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
1190.43382 2685.50099 3129.67057
0.99989 0.01461 -0.00053 -0.01459 0.99964 0.02268 0.00086 -0.02267 0.99974
1
0.07276 0.03225 0.02768
1.51604 0.67203 0.57666
105.54 141.09 210.54 227.34 383.23 453.15 496.01 529.68 570.50 631.61 696.98 739.05 794.96 869.94 917.93 1025.15 1028.44 1134.13 1158.41 1168.38 1272.42 1318.08 1376.51 1394.82 1454.87 1519.14 1547.06 1581.69 1614.51 1639.99 1675.34 1676.25 1678.30 1711.48 1792.24 1839.52 1893.16 1928.69 1958.66 2010.11 2032.32 2102.50 2167.50 2180.24 2221.98 2250.87 2339.12 2339.72 2342.19 2375.30 2688.97 3466.42 3681.35 4594.45 4620.74 4641.47 4665.44 4678.11 4703.87 4715.90 4717.40 4749.16 4828.62 4876.95 5271.50
0.214420
0.224137
0.225081
0.179066
-461.021907
-461.012191
-461.011247
-461.057261
1.543317D-04
MUNgauss
RevisionA2.1
retrievium
05-Apr-2022
GDB_13 Smiles: CC#CC12CC(CC=C1)C2C#C
RHF
6-31G(d)
(6D,10F)
C1
156.093900
|X|Y|Z|
37.123020 22.676311 16.721236
24.145045
7
|36.858105|
|12.968006|36.858105|
|7.168244|16.027844|36.858105|
|4.622692|7.183308|13.017349|36.858105|
|3.760705|5.188609|7.311642|12.253430|36.858105|
|3.134577|4.109663|5.466184|8.968485|12.333594|36.858105|
|2.759949|3.505524|4.485471|6.834460|7.536372|12.428568|36.858105|
|3.054340|3.950228|5.135477|7.797773|6.752353|7.641460|12.608488|36.858105|
|3.855293|5.359152|7.610758|12.505528|7.680074|7.053754|7.786636|14.446942|36.858105|
|3.768862|5.198607|7.319904|12.170256|8.995106|12.260693|7.475199|6.655592|7.585324|36.858105|
|3.352016|4.327151|5.481987|7.220347|5.434548|7.246197|6.269450|5.972269|6.319424|13.019961|36.858105|
|2.973782|3.635208|4.300912|5.119015|4.079089|5.144418|4.973136|4.904932|4.977192|7.187606|16.042151|36.858105|
|17.570278|9.020830|5.943733|4.125689|3.299738|2.870612|2.597631|2.913439|3.640386|3.477724|3.255972|2.976912|0.500000|
|17.568468|9.019007|5.940341|4.124107|3.529540|2.891831|2.592355|2.880097|3.579172|3.311822|2.929166|2.614907|0.301250|0.500000|
|17.569517|9.018513|5.942467|4.127215|3.520435|2.986336|2.579216|2.759015|3.368413|3.582870|3.188047|2.841683|0.301280|0.301270|0.500000|
|3.894300|5.236897|6.847323|8.665481|17.583394|8.690259|5.488251|4.898923|5.544140|7.528670|4.770461|3.677468|0.092453|0.101353|0.105057|0.500000|
|3.459102|4.562317|5.973355|8.436111|17.600449|8.395628|6.947675|6.640214|7.115785|6.131232|4.330848|3.452051|0.084774|0.093731|0.088844|0.298313|0.500000|
|2.783028|3.494439|4.369219|6.122803|8.409618|17.590839|8.741414|5.525630|5.038048|8.434381|5.966050|4.564122|0.070958|0.071763|0.075422|0.209007|0.181250|0.500000|
|2.509172|3.104283|3.837265|5.386151|5.496553|8.802447|17.522096|8.894542|6.037578|6.568615|6.558057|5.580060|0.066705|0.065046|0.065795|0.122559|0.139043|0.210358|0.500000|
|2.503106|3.095844|3.825264|5.367093|6.594969|8.830518|17.503359|8.871077|6.006604|5.469722|4.639248|3.894239|0.065173|0.066590|0.065323|0.140003|0.192418|0.211596|0.303312|0.500000|
|2.724700|3.378987|4.145851|5.525193|4.959442|5.453279|8.509815|17.699806|9.098040|4.907758|4.789770|4.282987|0.073494|0.072358|0.068350|0.107545|0.142191|0.121209|0.204451|0.203900|0.500000|
|4.080131|5.517584|7.154442|8.475114|5.657361|5.060404|5.518520|9.052019|17.730119|5.618181|5.137415|4.377184|0.110052|0.106559|0.095699|0.124894|0.153791|0.109173|0.129436|0.128715|0.214683|0.500000|
|3.922984|5.289057|6.937821|8.778775|7.727432|8.796557|5.487713|4.874423|5.534167|17.582355|9.149757|6.026628|0.098629|0.094280|0.108050|0.221207|0.149222|0.212107|0.139118|0.123176|0.106966|0.124721|0.500000|
|2.664359|3.132862|3.558159|4.031782|3.333981|4.048119|4.072275|4.080680|4.068079|5.138723|8.488382|18.026614|0.075421|0.065655|0.071043|0.084846|0.080990|0.103279|0.128737|0.092691|0.104504|0.104039|0.126824|0.500000|
460.963399
-2339.357006
851.106509
-66.596992
-1093.884091
632.647765
-461.236326
2.000592
3D2540000000000D
419A4EACC0000000
41340B2E49249249
40B1B80000000001
BBC79CA100000000
410AF7BFFFFFFFFD