Version2.5
2022-04-05T02:37:41Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
06-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=C(CC12CC1C=CCC2)C#C
RHF
6-31G(d)
(6D,7F)
C=C(CC12CC1C=CCC2)C#C
C1[X(C12H14)]
72
C1
208
C=C(CC12CC1C=CCC2)C#C
C#CC(=C)CC12CCC=CC2C1
C=C(CC12CCC=CC1C2)C#C
InChIKey=MWQQFNODZUTDCQ-UHFFFAOYSA-N
InChI=1S/C12H14/c1-3-10(2)8-12-7-5-4-6-11(12)9-12/h1,4,6,11H,2,5,7-9H2
InChI=1/C12H14/c1-3-10(2)8-12-7-5-4-6-11(12)9-12/h1,4,6,11H,2,5,7-9H2
C=C(CC12CC1C=CCC2)C#C
C01[X(C12H14)]
72
C1
208
C=C(CC12CC1C=CCC2)C#C
CC[C@@H](C[C@]12CCCC[C@@H]2C1)C
CC[C@H](C)C[C@@]12CCCC[C@@H]1C2
InChIKey=FKYDSVSGYZHTSG-QJPTWQEYSA-N
InChI=1S/C12H22/c1-3-10(2)8-12-7-5-4-6-11(12)9-12/h10-11H,3-9H2,1-2H3/t10-,11+,12+/m0/s1
InChI=1/C12H22/c1-3-10(2)8-12-7-5-4-6-11(12)9-12/h10-11H,3-9H2,1-2H3/t10-,11+,12+/m0/s1
4.621419220576D+02
-2.402411221035D+03
662.9752468400
-462.440089
1-A
2061.7387
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|
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12.47496
0.0281 0.4398 0.0987
0.4516
|XX|YY|ZZ|XY|XZ|YZ|
-73.7222 -65.9246 -72.4214 0.0775 0.1978 -0.1390
|XX|YY|ZZ|XY|XZ|YZ|
-3.0328 4.7648 -1.7320 0.0775 0.1978 -0.1390
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-7.1795 -20.8499 2.6993 12.3169 3.9177 -13.0666 -1.9070 2.7131 -2.9925 -0.8286
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
31.9181 75.7218 114.7576 166.0868 220.6754 250.3320 295.8624 319.7293 379.4965 414.1048 435.7949 490.0897 521.1422 591.4994 632.2516 679.1079 770.2035 782.0649 788.5322 803.7333 818.7693 821.6235 832.5333 879.5046 927.7802 984.0510 1005.6267 1021.8704 1039.5394 1070.4178 1081.2889 1104.7051 1106.7933 1127.0310 1161.4263 1182.8488 1193.2901 1230.8356 1291.3730 1300.4786 1326.6852 1355.9835 1399.2924 1406.0760 1454.8978 1485.6751 1505.4901 1524.7734 1550.7535 1576.1093 1582.1942 1629.0506 1637.5567 1643.4054 1661.8026 1850.2154 1879.6645 2402.2706 3186.7276 3199.5633 3203.9199 3224.7422 3241.6608 3247.9602 3306.9872 3333.6005 3342.9152 3346.4119 3363.5368 3388.8015 3426.6846 3663.8269
4.0100 3.8762 3.5396 3.5606 2.0746 2.9019 3.0517 3.5734 2.3767 2.4092 2.7274 2.9517 2.7106 3.2700 3.0562 3.4580 2.4472 1.6855 1.4555 1.3420 1.6931 2.6156 1.3482 2.1060 2.5969 2.2952 1.7748 1.7862 2.3133 1.6131 1.3860 1.4174 1.9097 1.7601 2.1610 1.7799 1.5098 1.3367 1.2650 1.2168 1.3310 1.5418 1.4011 2.5298 1.4545 1.4121 1.5180 1.7178 1.5065 1.6711 1.3212 1.0989 1.0888 1.2180 1.2718 4.6598 6.2765 5.8140 1.0687 1.0669 1.0624 1.0938 1.1045 1.0989 1.0575 1.0860 1.0625 1.0911 1.0989 1.1156 1.1178 1.1676
0.0024 0.0131 0.0275 0.0579 0.0595 0.1071 0.1574 0.2152 0.2017 0.2434 0.3052 0.4177 0.4337 0.6741 0.7198 0.9396 0.8553 0.6074 0.5332 0.5108 0.6687 1.0403 0.5506 0.9598 1.3171 1.3095 1.0575 1.0990 1.4729 1.0890 0.9548 1.0191 1.3783 1.3172 1.7175 1.4672 1.2667 1.1931 1.2429 1.2125 1.3803 1.6703 1.6164 2.9468 1.8140 1.8364 2.0271 2.3530 2.1345 2.4459 1.9486 1.7182 1.7202 1.9382 2.0694 9.3986 13.0656 19.7681 6.3944 6.4350 6.4254 6.7016 6.8384 6.8304 6.8140 7.1109 6.9960 7.1988 7.3248 7.5484 7.7334 9.2344
0.0046 0.0196 0.0999 0.3981 0.0760 0.6944 1.1235 3.7408 0.8743 0.0973 0.3139 1.4130 2.7134 2.1065 6.6655 5.5645 0.4104 14.2572 48.8422 49.8108 18.3212 6.9751 5.5920 3.6190 1.9065 8.8200 2.7202 4.1346 6.7304 2.5288 47.7739 0.0257 0.8825 1.5079 4.6011 6.2030 7.7849 3.8053 1.7103 0.6889 1.6965 3.7078 0.5746 9.5979 4.5752 6.1630 2.6880 3.5848 0.6756 1.8501 2.0255 6.2880 1.3138 0.3903 2.5180 7.5658 4.8283 0.7028 31.7682 36.4785 42.1932 41.2773 29.1197 49.6685 27.1834 1.5274 8.1470 29.3414 46.9905 17.9169 11.5062 58.5368
6.9867 0.4133 6.1328 5.9949 2.6465 4.5313 1.9740 4.9950 2.5987 2.0435 2.4571 4.2033 5.0311 6.1885 2.5186 9.0661 5.7796 3.8647 4.9886 2.5450 6.2680 9.8543 11.5259 7.2745 6.9176 7.0430 3.2511 5.6605 3.8636 4.9585 4.0819 1.1069 5.9205 8.6897 4.9600 3.4827 3.0372 2.1718 25.2170 4.4439 3.2005 5.9554 13.6954 7.4563 3.0475 3.5408 5.3514 2.2455 2.0994 16.5718 34.9824 9.1080 15.4149 11.0834 5.2430 77.5496 28.4242 201.3061 54.4623 57.2338 119.2609 105.9358 45.6813 62.3223 100.4814 68.7262 93.2648 61.1100 193.3335 59.7026 79.3289 25.8480
0.7500 0.6695 0.7326 0.7407 0.5734 0.7364 0.6122 0.7474 0.7490 0.6510 0.2115 0.6630 0.6689 0.6848 0.4802 0.1442 0.7483 0.3212 0.7489 0.5051 0.3912 0.4392 0.5556 0.1674 0.0767 0.7038 0.4294 0.6296 0.7397 0.7144 0.6983 0.3304 0.7191 0.5861 0.7419 0.4134 0.6996 0.6874 0.6159 0.1597 0.7006 0.3662 0.3805 0.5610 0.7205 0.7139 0.4603 0.3630 0.7428 0.1617 0.5409 0.6692 0.6271 0.5246 0.7496 0.2278 0.2267 0.2801 0.4122 0.3233 0.0320 0.4560 0.6672 0.5715 0.1456 0.6404 0.1155 0.6905 0.1209 0.7411 0.7387 0.2469
0.8571 0.8020 0.8457 0.8510 0.7289 0.8482 0.7595 0.8555 0.8565 0.7886 0.3491 0.7974 0.8016 0.8129 0.6488 0.2521 0.8561 0.4862 0.8564 0.6712 0.5624 0.6103 0.7143 0.2868 0.1424 0.8262 0.6008 0.7727 0.8504 0.8334 0.8224 0.4967 0.8366 0.7391 0.8518 0.5850 0.8233 0.8147 0.7623 0.2754 0.8240 0.5361 0.5512 0.7188 0.8376 0.8331 0.6304 0.5327 0.8524 0.2783 0.7020 0.8018 0.7709 0.6882 0.8569 0.3711 0.3696 0.4376 0.5838 0.4887 0.0620 0.6264 0.8004 0.7273 0.2542 0.7808 0.2071 0.8169 0.2157 0.8513 0.8497 0.3961
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
1211.34241 2588.38804 2844.19571
0.99996 0.00837 0.00377 -0.00828 0.99969 -0.02328 -0.00396 0.02325 0.99972
1
0.07150 0.03346 0.03045
1.48987 0.69725 0.63453
45.92 108.95 165.11 238.96 317.50 360.17 425.68 460.02 546.01 595.80 627.01 705.13 749.81 851.04 909.67 977.08 1108.15 1125.22 1134.52 1156.39 1178.03 1182.13 1197.83 1265.41 1334.87 1415.83 1446.87 1470.24 1495.67 1540.09 1555.73 1589.42 1592.43 1621.55 1671.03 1701.86 1716.88 1770.90 1858.00 1871.10 1908.80 1950.96 2013.27 2023.03 2093.27 2137.56 2166.06 2193.81 2231.19 2267.67 2276.42 2343.84 2356.08 2364.49 2390.96 2662.05 2704.42 3456.33 4584.99 4603.46 4609.73 4639.68 4664.03 4673.09 4758.02 4796.31 4809.71 4814.74 4839.38 4875.73 4930.23 5271.43
0.239878
0.250386
0.251330
0.203085
-462.200211
-462.189703
-462.188759
-462.237004
1.618145D-04
MUNgauss
RevisionA2.1
retrievium
05-Apr-2022
GDB_13 Smiles: C=C(CC12CC1C=CCC2)C#C
RHF
6-31G(d)
(6D,10F)
C1
158.109551
|X|Y|Z|
22.044713 18.604259 35.066376
24.318451
7
|36.858105|
|14.382322|36.858105|
|7.629395|12.559269|36.858105|
|5.316785|7.402118|12.485769|36.858105|
|3.851134|4.909905|7.433457|12.718234|36.858105|
|4.098142|5.554564|7.313813|12.665770|12.621861|36.858105|
|3.430358|4.297447|4.914102|7.431457|7.372748|12.784884|36.858105|
|3.298098|3.916654|4.364121|6.507605|6.068205|7.722327|14.421674|36.858105|
|3.666836|4.208638|4.826244|7.399556|6.246337|6.508622|7.685234|12.623249|36.858105|
|5.107048|6.104267|7.418452|12.511725|7.279771|7.400132|6.615682|7.533316|12.402326|36.858105|
|7.941562|13.165494|7.524861|5.982725|4.371738|5.555376|4.511954|3.921571|3.853875|4.992701|36.858105|
|5.455275|7.228321|5.306351|4.741473|3.787242|4.942518|4.319092|3.686269|3.430075|4.091799|16.027862|36.858105|
|17.733556|9.076049|5.466660|4.241247|3.231895|3.515262|3.075676|2.977427|3.227234|4.206785|7.239256|5.461227|0.500000|
|17.716882|9.098142|6.986502|4.995745|3.740946|3.738134|3.149472|3.098472|3.573232|4.979387|5.618858|4.208455|0.288569|0.500000|
|5.979452|8.962911|17.533700|8.900492|7.227628|7.026208|4.586118|3.887848|4.043267|5.467876|6.896434|5.231214|0.129328|0.152101|0.500000|
|7.390447|8.973136|17.537257|8.902730|6.364090|5.512374|4.064857|3.817830|4.455475|6.724616|5.570622|4.186749|0.144998|0.224691|0.303434|0.500000|
|3.666472|4.611831|7.055187|8.597407|17.689337|8.548565|5.469169|4.550741|4.637578|5.414725|4.098554|3.575564|0.085673|0.099986|0.221841|0.175557|0.500000|
|3.316746|3.992493|5.479877|8.534962|17.718361|8.580226|6.929492|6.419558|6.864562|6.766912|3.601369|3.204053|0.079017|0.091368|0.144202|0.141659|0.293399|0.500000|
|4.044816|5.608288|6.920904|8.606624|8.616544|17.711964|8.740865|5.666090|4.811117|5.499122|6.161267|5.739425|0.097976|0.100010|0.211398|0.141694|0.211920|0.171894|0.500000|
|3.014537|3.704472|4.059938|5.417883|5.625057|8.654077|17.689344|9.147578|5.502746|4.840372|4.082672|4.151940|0.076962|0.076523|0.110069|0.094736|0.128116|0.148636|0.214430|0.500000|
|2.852465|3.277158|3.515259|4.761396|4.589163|5.528294|9.156268|17.689751|8.559960|5.486201|3.350092|3.252027|0.073343|0.074760|0.088915|0.087513|0.102143|0.137042|0.124676|0.220289|0.500000|
|3.462611|3.783169|4.057058|5.482075|4.627144|4.873044|5.759890|8.906488|17.539378|8.869482|3.500534|3.161114|0.086956|0.094361|0.095097|0.106822|0.102475|0.138208|0.108139|0.126416|0.216769|0.500000|
|3.235935|3.645190|4.341771|6.370951|6.309733|5.675210|6.307691|8.915615|17.506002|8.781565|3.296421|2.955293|0.079095|0.090037|0.104344|0.116360|0.132061|0.221016|0.119392|0.133449|0.194275|0.305463|0.500000|
|5.040307|5.496499|6.749156|8.865471|6.193479|5.521193|4.898219|5.521746|8.823090|17.513532|4.268988|3.503584|0.113972|0.148450|0.139444|0.199365|0.138466|0.167944|0.122570|0.106668|0.122157|0.207728|0.219963|0.500000|
|5.996736|6.984397|6.920660|8.972596|5.489705|6.262721|5.898148|6.589921|8.907325|17.555112|5.799686|4.658884|0.139632|0.153658|0.141501|0.169135|0.122537|0.138670|0.141324|0.126639|0.142833|0.224477|0.174881|0.303633|0.500000|
|4.229965|5.159432|4.153467|3.899720|3.300490|4.259693|3.948212|3.376288|3.054210|3.457013|8.484229|18.026117|0.120823|0.095272|0.116394|0.094889|0.087196|0.079504|0.137966|0.110835|0.085358|0.079220|0.073976|0.083143|0.107247|0.500000|
462.141914
-2402.411238
882.193611
-67.339671
-1125.415384
662.975295
-462.440089
2.000645
4038000000000000
41928C647FFFFFFC
412B9B5FFFFFFFFA
40B2D40000000000
3BD79CA100000000
410B4F3FFFFFFFFD