Gaussian 16 24-Mar-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 42 42 69 69 630 (5D, 7F) 6-311+G(2d,p) 120 C1[X(C15H24O3)] RmPW1PW91 6-311+G(2d,p) SP # nmr=giao mpw1pw91 6-311+g(2d,p) scrf=(iefpcm,solvent=methanol) 228.1587 0 1 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g16 Output=conformer3.log mem=8GB nprocshared=4 # nmr=giao mpw1pw91 6-311+g(2d,p) scrf=(iefpcm,solvent=methanol) 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=112,11=2,25=1,30=1,70=2201,72=3,74=-7/1,2,3,8 4//1 5/5=2,38=5,53=3/2 8/6=1,10=90,11=11/1 10/13=100,45=16/2 6/7=2,8=2,9=2,10=2,28=1/1 99/9=1/99 Title 666 A 630 A 948 666 1559.8568649658 42 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 228.1587 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0.70765 0.70912 0.71436 0.72213 0.72477 0.72924 0.73697 0.74427 0.75041 0.75431 0.75804 0.76574 0.76951 0.78055 0.78516 0.79083 0.79617 0.80078 0.80392 0.81164 0.81635 0.82624 0.82958 0.84355 0.84958 0.86256 0.88302 0.89359 0.90714 0.91691 0.92638 0.92837 0.94381 0.95583 0.96623 0.97517 0.97832 0.98834 1.00047 1.00751 1.02359 1.04034 1.04764 1.06490 1.07354 1.08094 1.08287 1.09899 1.10471 1.10848 1.11687 1.12311 1.13226 1.13930 1.14654 1.15818 1.16118 1.17282 1.17964 1.18833 1.19256 1.19944 1.20392 1.21417 1.22446 1.23519 1.23749 1.25371 1.25723 1.26127 1.26826 1.27655 1.28336 1.28914 1.29548 1.29893 1.30549 1.31380 1.32679 1.33255 1.34648 1.35203 1.35828 1.36869 1.36950 1.37772 1.38467 1.39258 1.39656 1.39937 1.41590 1.41879 1.42515 1.42960 1.43563 1.45404 1.45772 1.46247 1.46932 1.48043 1.48450 1.49319 1.50150 1.50867 1.51487 1.51866 1.52238 1.53265 1.53750 1.54633 1.55333 1.56398 1.57250 1.58369 1.59849 1.60815 1.61756 1.62513 1.63603 1.65380 1.65972 1.66832 1.67892 1.68165 1.71590 1.72442 1.73159 1.74661 1.75377 1.75798 1.77192 1.78073 1.79943 1.80638 1.81607 1.81767 1.83194 1.83859 1.85365 1.86516 1.88043 1.90117 1.90785 1.91666 1.93003 1.94167 1.94797 1.96799 1.97020 1.98151 2.00748 2.01940 2.02874 2.03770 2.05338 2.06001 2.08327 2.08782 2.09290 2.11882 2.13494 2.16110 2.16608 2.16858 2.18207 2.19603 2.19853 2.23380 2.24343 2.25448 2.26663 2.29332 2.29527 2.30382 2.31279 2.31653 2.32735 2.33051 2.34304 2.35103 2.35908 2.36876 2.37481 2.38517 2.39635 2.40099 2.40864 2.42178 2.42416 2.43129 2.44540 2.44974 2.45366 2.46378 2.46860 2.47993 2.49620 2.49976 2.50342 2.52045 2.52140 2.55126 2.55642 2.56528 2.59328 2.59732 2.61377 2.61971 2.62713 2.67042 2.71362 2.72242 2.73777 2.77225 2.78058 2.79951 2.81638 2.81927 2.84358 2.85255 2.86599 2.89630 2.90864 2.92971 2.94350 2.95448 2.96446 2.97257 2.98882 2.99957 3.01070 3.01568 3.02300 3.04017 3.05178 3.06415 3.07306 3.07716 3.09731 3.10872 3.11233 3.15651 3.16186 3.16697 3.18636 3.21563 3.23146 3.24283 3.25113 3.26223 3.29089 3.30877 3.32704 3.34153 3.35868 3.36002 3.38329 3.38879 3.39995 3.40296 3.41952 3.43080 3.45494 3.46648 3.48838 3.49258 3.50484 3.52256 3.53369 3.54877 3.55417 3.56340 3.57458 3.58954 3.59770 3.60378 3.61988 3.62484 3.63878 3.64345 3.64598 3.64824 3.66579 3.67236 3.68889 3.69574 3.70116 3.70407 3.71309 3.72579 3.72923 3.75356 3.76101 3.77712 3.78310 3.79099 3.80026 3.80678 3.82150 3.82377 3.84024 3.84481 3.85359 3.85869 3.87143 3.87271 3.88954 3.89823 3.91407 3.91659 3.95450 3.95655 3.96443 3.96616 3.97708 3.98896 4.00367 4.01011 4.03441 4.05672 4.05881 4.06592 4.09557 4.09740 4.11099 4.12754 4.15884 4.16909 4.17773 4.19487 4.20906 4.23008 4.25675 4.26539 4.27514 4.28388 4.30082 4.30872 4.34535 4.35048 4.36324 4.38114 4.39678 4.41477 4.43884 4.44941 4.47074 4.48748 4.49961 4.52837 4.54292 4.59666 4.60542 4.62366 4.65231 4.68187 4.72878 4.76194 5.02080 5.19008 5.22777 5.23045 5.47652 5.50605 5.55318 5.82704 5.83980 5.85138 6.94320 6.95504 6.99653 7.02861 7.05219 7.08722 7.10281 7.13715 7.14433 7.23153 7.24602 7.26475 7.40980 7.42148 7.45267 23.92544 23.93763 23.96200 24.02382 24.07376 24.08406 24.12111 24.15520 24.17075 24.19097 24.20797 24.22401 24.27401 24.30369 24.40246 50.13228 50.14713 50.16494 1-A. Mulliken charges: 1 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 C C C C C C C H H H H C H C C C H C H H O H H H H C H H H H H C H H O H O H C H H H -0.657634 0.133546 0.123952 0.482675 0.055115 -0.629881 0.391389 0.154753 0.144253 0.105808 0.153250 -0.834354 0.155990 0.018274 0.677567 -1.015466 0.158295 -0.181732 0.151942 0.159042 -0.405793 0.293421 0.164369 0.109063 0.179162 -0.531431 0.173794 0.184950 0.187513 0.127056 0.127975 -0.374729 0.150844 0.161325 -0.467824 0.297369 -0.452394 0.313992 -0.499688 0.181077 0.161129 0.172038 -0.00000 -2.0939 1.3359 2.7672 3.7183 -94.5576 -122.7095 -112.0011 -1.4948 4.0469 0.8640 15.1984 -12.9534 -2.2450 -1.4948 4.0469 0.8640 -26.9228 42.5231 -6.9898 -17.0678 -41.2170 -13.7886 -1.8214 -15.9239 8.5434 6.2574 -1953.8093 -2319.1441 -761.5182 37.6450 40.7160 12.1835 -11.0669 -4.0895 22.6950 -715.4407 -485.4814 -470.2773 58.9006 30.1747 8.0358 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-EXP-1-26 ASR04 2026-03-24T00:00:00.000 0 Title 0 1 Version=ES64L-G16RevC.01 State=1-A HF=-811.734541 RMSD=3.320e-09 Dipole=-0.8237994,0.5255639,1.0886867 Quadrupole=11.2996676,-9.6305372,-1.6691305,-1.1113339,3.0087426,0.642391 PG=C01 [X(C15H24O3)] 0 -0.385162 1.485016 1.451741 0 -0.209298 -0.055486 1.636391 0 -0.671184 -0.871374 0.38592 0 -0.709562 1.94998 -0.003282 0 -2.168419 -0.71366 -0.026959 0 -2.208336 1.809759 -0.176372 0 -2.828121 0.630025 -0.167647 0 -1.180293 1.855892 2.105955 0 0.531218 1.9824 1.787748 0 -0.7169 -0.381647 2.551283 0 -2.745344 -1.262051 0.731889 0 0.00716 1.07673 -1.090089 0 -0.669668 0.986086 -1.944725 0 0.397279 -0.347216 -0.627277 0 1.756791 -0.417556 0.18037 0 1.305954 -0.379107 1.679611 0 1.50902 -1.331654 2.175952 0 -0.529794 -2.398742 0.693087 0 -1.37304 -2.693618 1.336031 0 0.374448 -2.619946 1.253044 0 -0.477813 -3.233634 -0.466115 0 -1.195506 -2.922981 -1.047784 0 1.851195 0.376788 2.255167 0 0.461096 -0.991477 -1.50697 0 0.888998 1.59598 -1.467733 0 -0.318719 3.427743 -0.172286 0 0.759618 3.566987 -0.043045 0 -0.588368 3.788708 -1.171776 0 -0.831803 4.057147 0.564721 0 -3.911939 0.585311 -0.272521 0 -2.795299 2.72275 -0.273914 0 2.713998 0.773505 -0.048242 0 2.237264 1.717849 0.220338 0 3.579347 0.650099 0.618474 0 3.161984 0.942493 -1.401161 0 3.764707 0.221234 -1.623794 0 -2.316865 -1.442984 -1.292546 0 -3.260212 -1.54419 -1.483288 0 2.538374 -1.702519 -0.165355 0 1.931782 -2.600946 -0.052184 0 2.873607 -1.689029 -1.20918 0 3.42187 -1.799278 0.477234