Version2.5
2022-04-06T05:42:50Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
12-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#CC1CC2=C(C)C=CC2=C1
RHF
6-31G(d)
(6D,7F)
CC#CC1CC2=C(C)C=CC2=C1
C1[X(C12H12)]
66
C1
204
CC#CC1CC2=C(C)C=CC2=C1
CC#CC1C=C2C(=C(C=C2)C)C1
CC#CC1CC2=C(C)C=CC2=C1
InChIKey=PTEYJELHAFHHEJ-UHFFFAOYSA-N
InChI=1S/C12H12/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h5-7,10H,8H2,1-2H3
InChI=1/C12H12/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h5-7,10H,8H2,1-2H3
CC#CC1CC2=C(C)C=CC2=C1
C01[X(C12H12)]
66
C1
204
CC#CC1CC2=C(C)C=CC2=C1
CCC[C@H]1C[C@@H]2[C@@H](C1)CC[C@@H]2C
CCC[C@@H]1C[C@H]2CC[C@H](C)[C@@H]2C1
InChIKey=QIAKXGMNHWUNHP-QCNOEVLYSA-N
InChI=1S/C12H22/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h9-12H,3-8H2,1-2H3/t9-,10+,11+,12-/m0/s1
InChI=1/C12H22/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h9-12H,3-8H2,1-2H3/t9-,10+,11+,12-/m0/s1
4.610071965388D+02
-2.290765021770D+03
608.3024962993
-461.3007921
1-A
2720.8876
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|
0.09594 0.21816 0.22418 0.23732 0.25618 0.25787 0.27466 0.28703 0.28993 0.30053 0.30552 0.32160 0.32800 0.33491 0.34745 0.35204 0.36660 0.39134 0.39568 0.39966 0.43103 0.45528 0.47346 0.49641 0.51969 0.57650 0.59730 0.61161 0.64012 0.66264 0.68530 0.72938 0.73840 0.75603 0.76762 0.78621 0.78931 0.80557 0.81740 0.82562 0.84955 0.85514 0.86290 0.87229 0.88957 0.90647 0.91014 0.92838 0.94099 0.98418 1.00527 1.00788 1.01465 1.03897 1.05726 1.06493 1.09800 1.10449 1.12220 1.12875 1.12983 1.13681 1.14969 1.15741 1.16155 1.17576 1.18132 1.19179 1.20481 1.21357 1.22014 1.23307 1.24921 1.26332 1.27663 1.31198 1.35005 1.40013 1.44572 1.46219 1.49924 1.53786 1.57780 1.60093 1.66231 1.66900 1.69009 1.71901 1.74107 1.75194 1.76993 1.78409 1.82066 1.82577 1.83898 1.86505 1.87269 1.96737 1.97340 2.02467 2.03085 2.06110 2.09948 2.13703 2.14390 2.17403 2.19621 2.20885 2.24911 2.27503 2.30184 2.31150 2.33605 2.34375 2.37165 2.39070 2.40579 2.42891 2.44511 2.47548 2.51284 2.53695 2.56905 2.57310 2.59258 2.61584 2.62585 2.64479 2.67328 2.70553 2.73588 2.78163 2.83794 2.85584 2.87046 2.89160 2.93834 2.99315 2.99928 3.08197 3.10579 3.15035 3.19306 3.26263 3.31035 3.35715 3.48275 3.54192 3.65735 3.93955 4.52568 4.54608 4.55377 4.60407 4.65517 4.67031 4.73019 4.87205 4.99699 5.06430 5.16048 5.29785
10.52582
-0.7564 -0.2111 0.1160
0.7938
|XX|YY|ZZ|XY|XZ|YZ|
-62.2498 -67.7436 -72.0303 -0.5864 0.6321 -0.0326
|XX|YY|ZZ|XY|XZ|YZ|
5.0914 -0.4024 -4.6890 -0.5864 0.6321 -0.0326
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-32.6814 6.2780 2.6168 1.2637 -4.7246 -21.7098 -6.9205 -3.3413 -1.2207 -4.0080
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-2613.9815 -564.5646 -217.6862 20.3974 43.2022 8.6541 -3.1939 6.0254 0.3607 -589.6219 -526.4790 -139.2859 0.0215 -1.3911 -6.4906
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
12.1711 37.8400 80.4523 140.7220 153.0937 206.1311 232.5493 273.1368 313.6554 344.1656 389.8468 486.0499 505.6787 600.3720 631.1148 639.8271 702.4423 734.3660 785.6290 806.6756 843.8505 861.2631 968.3730 995.1330 1003.7809 1062.2279 1074.9964 1120.9634 1149.5078 1165.1215 1166.1701 1166.9050 1169.8528 1221.0111 1244.2607 1287.1304 1300.8782 1368.5853 1397.9073 1427.2195 1476.1445 1483.5281 1511.2539 1565.1529 1569.4508 1626.1574 1626.7851 1627.2045 1631.3662 1637.6048 1712.4759 1869.8382 1875.2098 2558.6972 3190.0842 3193.5818 3211.5590 3231.2189 3235.2043 3268.7471 3272.6846 3277.5840 3278.2124 3377.1005 3394.3367 3424.0754
1.0164 3.6396 3.5330 1.2096 2.1344 3.2672 3.1021 2.7291 3.7804 3.3433 3.4301 5.5839 3.7027 4.6424 2.7916 4.2036 3.4092 3.4740 3.4959 4.8716 1.4678 5.3944 2.5164 1.7322 1.7358 1.3308 1.9660 3.4561 2.4231 1.4377 1.4324 1.5422 1.6505 2.2249 1.9100 1.8531 1.2729 1.7521 1.3952 1.4244 2.0267 2.6455 2.0183 1.2388 1.3474 1.0415 1.0416 1.0447 1.0877 1.0602 5.8969 8.4983 8.6877 11.8986 1.0385 1.0837 1.0347 1.0614 1.1018 1.1060 1.1007 1.1031 1.1032 1.0916 1.0964 1.1014
0.0001 0.0031 0.0135 0.0141 0.0295 0.0818 0.0988 0.1200 0.2191 0.2333 0.3071 0.7772 0.5578 0.9859 0.6551 1.0139 0.9911 1.1038 1.2713 1.8677 0.6158 2.3576 1.3903 1.0107 1.0304 0.8847 1.3386 2.5587 1.8865 1.1499 1.1477 1.2372 1.3309 1.9543 1.7422 1.8088 1.2692 1.9335 1.6064 1.7094 2.6019 3.4304 2.7159 1.7881 1.9555 1.6226 1.6240 1.6297 1.7056 1.6752 10.1889 17.5061 17.9993 45.8968 6.2266 6.5122 6.2877 6.5291 6.7947 6.9623 6.9460 6.9822 6.9850 7.3351 7.4429 7.6082
0.0006 0.0719 0.6009 0.2762 1.0642 6.2716 1.1892 6.9794 2.1762 2.7721 0.6217 0.4540 2.4401 0.3827 2.6883 6.5784 2.5933 4.7865 2.9797 6.2387 24.7125 6.6059 5.3355 14.8955 15.6966 0.0063 6.7827 11.6827 13.5250 0.5531 0.5261 3.0597 0.6730 4.5734 4.5909 1.0888 1.7909 6.6018 10.3320 10.0340 34.7342 15.0447 4.6392 12.2771 2.9175 4.7347 5.2216 3.5680 1.5594 4.3364 36.3668 39.7004 3.2147 0.3693 58.4155 18.5130 40.7599 29.0083 37.2698 25.9990 27.6733 19.7675 19.8216 20.3423 9.9877 17.3249
0.0348 5.5263 3.0819 0.2802 1.4901 4.0335 1.1969 1.8029 4.8943 3.7534 5.4319 10.1101 2.6125 15.9074 4.5089 2.7131 12.6386 16.3861 7.0520 8.6228 8.9509 13.2323 5.8168 6.9495 9.3370 1.0886 4.4890 1.1984 8.0621 2.3680 1.2472 8.0243 7.3250 0.9269 6.3719 8.9724 2.2649 0.8923 8.7651 4.1853 6.6170 14.4058 25.7694 31.7613 31.5236 20.4958 23.8959 18.2291 21.4062 36.9566 94.3689 344.5871 39.9568 274.3670 208.1934 129.0635 237.0931 135.0731 132.9188 66.7320 67.3093 118.3044 102.5255 127.6695 97.7567 143.5817
0.7286 0.7318 0.7473 0.6410 0.6532 0.7444 0.4305 0.7391 0.6675 0.6553 0.4470 0.5693 0.6589 0.5705 0.6600 0.5251 0.5472 0.4551 0.7187 0.7494 0.7312 0.1031 0.7468 0.7486 0.6257 0.7334 0.2620 0.6606 0.6497 0.6143 0.5587 0.4353 0.4619 0.5300 0.1086 0.6719 0.6518 0.5729 0.6149 0.7493 0.7464 0.1782 0.4933 0.5052 0.4658 0.7464 0.7500 0.7489 0.7463 0.5773 0.1262 0.2883 0.3888 0.3249 0.0783 0.2638 0.0335 0.0766 0.7494 0.7424 0.7500 0.7440 0.7482 0.4317 0.3790 0.2059
0.8430 0.8451 0.8554 0.7813 0.7902 0.8535 0.6019 0.8500 0.8006 0.7917 0.6178 0.7256 0.7944 0.7266 0.7952 0.6886 0.7073 0.6256 0.8364 0.8567 0.8448 0.1869 0.8551 0.8562 0.7697 0.8462 0.4152 0.7956 0.7877 0.7611 0.7169 0.6066 0.6319 0.6928 0.1960 0.8038 0.7892 0.7285 0.7615 0.8567 0.8548 0.3025 0.6607 0.6713 0.6356 0.8548 0.8571 0.8564 0.8547 0.7320 0.2241 0.4476 0.5599 0.4905 0.1452 0.4175 0.0649 0.1423 0.8568 0.8521 0.8571 0.8532 0.8559 0.6030 0.5496 0.3414
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
809.05113 3833.15568 4300.62613
0.99995 -0.00850 0.00443 0.00850 0.99996 -0.00014 -0.00443 0.00018 0.99999
1
0.10706 0.02260 0.02014
2.23069 0.47082 0.41965
17.51 54.44 115.75 202.47 220.27 296.58 334.59 392.98 451.28 495.18 560.90 699.32 727.56 863.80 908.03 920.57 1010.66 1056.59 1130.34 1160.63 1214.11 1239.17 1393.27 1431.77 1444.22 1528.31 1546.68 1612.82 1653.89 1676.35 1677.86 1678.92 1683.16 1756.76 1790.21 1851.89 1871.67 1969.09 2011.28 2053.45 2123.84 2134.47 2174.36 2251.91 2258.09 2339.68 2340.58 2341.18 2347.17 2356.15 2463.87 2690.28 2698.01 3681.39 4589.82 4594.85 4620.72 4649.00 4654.74 4703.00 4708.66 4715.71 4716.62 4858.89 4883.69 4926.48
0.214595
0.225688
0.226632
0.175187
-461.086197
-461.075104
-461.074160
-461.125605
1.725474D-04
MUNgauss
RevisionA2.1
retrievium
06-Apr-2022
GDB_13 Smiles: CC#CC1CC2=C(C)C=CC2=C1
RHF
6-31G(d)
(6D,10F)
C1
156.093900
|X|Y|Z|
46.083060 20.839150 12.765859
23.058114
8
|36.858105|
|12.967552|36.858105|
|7.168474|16.029680|36.858105|
|4.610435|7.153896|12.919880|36.858105|
|3.824132|5.292996|7.466609|12.145555|36.858105|
|3.154489|4.093658|5.320928|7.914878|12.666688|36.858105|
|2.626414|3.221325|3.901219|5.093914|7.110159|14.279809|36.858105|
|2.338212|2.772334|3.226817|3.931365|5.478379|7.419699|12.704055|36.858105|
|2.416488|2.904867|3.440315|4.339027|5.057186|8.417218|12.786222|7.225959|36.858105|
|2.638983|3.226405|3.884316|4.993182|5.155974|8.094087|8.149680|5.070178|14.222807|36.858105|
|3.216484|4.189629|5.460254|8.091923|7.865177|13.001781|8.341740|5.065931|8.510641|13.030780|36.858105|
|3.866925|5.374697|7.621680|12.498103|7.779831|8.272137|5.521545|3.931869|5.348358|7.232939|14.377277|36.858105|
|17.568927|9.014204|5.937803|4.114043|3.377951|2.819163|2.373580|2.127736|2.204583|2.409766|2.898020|3.491666|0.500000|
|17.569599|9.019058|5.943384|4.117662|3.461858|2.994728|2.534376|2.246119|2.384441|2.626008|3.131029|3.713681|0.301233|0.500000|
|17.568631|9.020647|5.943847|4.115711|3.674300|3.007674|2.546599|2.322556|2.307272|2.460278|2.956443|3.414162|0.301319|0.301366|0.500000|
|4.163276|6.024778|9.172623|17.513608|8.717274|6.230042|4.401614|3.550716|3.826437|4.331003|6.339993|8.923620|0.109085|0.101788|0.103662|0.500000|
|3.429413|4.528857|5.964601|8.643513|17.567234|8.756675|6.146957|5.324944|4.403839|4.322772|5.912223|5.864337|0.086763|0.085096|0.093191|0.227175|0.500000|
|4.168953|5.679437|7.410451|8.691489|17.578977|8.841557|6.109610|5.183820|4.451403|4.426425|6.121255|6.091218|0.098842|0.104352|0.115395|0.178712|0.302747|0.500000|
|2.235076|2.595401|2.945849|3.430687|4.533643|5.834111|8.868167|17.521397|6.456388|4.595615|4.396681|3.485518|0.056252|0.060401|0.062099|0.085346|0.118995|0.126420|0.500000|
|2.101392|2.461421|2.839484|3.449085|4.511834|5.824268|8.866740|17.521454|6.456940|4.591190|4.393800|3.490903|0.053887|0.056094|0.057804|0.089849|0.127726|0.115527|0.302460|0.500000|
|2.447537|2.907363|3.378389|4.065673|6.015751|6.937150|8.883472|17.571128|5.398216|4.253154|4.592511|3.792366|0.061764|0.064349|0.068452|0.102740|0.173073|0.164359|0.301503|0.301463|0.500000|
|2.139903|2.505745|2.885757|3.485734|3.985041|5.801873|8.409800|6.496670|17.712247|8.859345|5.795597|4.139444|0.054648|0.059023|0.057180|0.087732|0.100364|0.101027|0.176170|0.176422|0.133244|0.500000|
|2.471363|2.950309|3.449651|4.206925|4.093992|5.613582|5.636097|4.013141|8.800517|17.774571|8.390248|6.061623|0.063369|0.069300|0.063548|0.104610|0.098265|0.100587|0.104705|0.104646|0.095790|0.202382|0.500000|
|3.844799|5.135307|6.655980|8.371606|5.482107|5.688879|4.316049|3.254339|4.454090|6.089763|8.840409|17.726390|0.098704|0.105130|0.091756|0.199098|0.125005|0.129305|0.082198|0.082321|0.086964|0.100855|0.160577|0.500000|
461.007230
-2290.765229
826.771758
-66.617091
-1069.603332
608.302540
-461.300792
2.000637
4040000000000008
419865218FFFFFF9
41329631F3CF3CEE
40ADD60000000002
C000000000000002
4133B2A000000000