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=conformer2.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 1554.0425101913 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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0.70805 0.71138 0.71406 0.72331 0.72769 0.73197 0.73542 0.74096 0.75011 0.75253 0.76035 0.76796 0.77524 0.77962 0.78316 0.78860 0.79449 0.79847 0.80075 0.80472 0.81555 0.82654 0.83351 0.83980 0.84915 0.86360 0.87542 0.88691 0.89861 0.91112 0.91529 0.92492 0.94071 0.94817 0.95841 0.96767 0.98267 0.99357 0.99957 1.01359 1.02559 1.03544 1.04885 1.05680 1.06114 1.07097 1.07700 1.09068 1.10178 1.10565 1.10696 1.11597 1.12538 1.13449 1.13533 1.14473 1.15320 1.16683 1.17836 1.18934 1.19244 1.19563 1.20223 1.20730 1.22176 1.22412 1.23161 1.24467 1.25055 1.25708 1.26273 1.27019 1.27907 1.28791 1.29153 1.30047 1.31082 1.31606 1.32229 1.33240 1.33886 1.34653 1.35706 1.36446 1.36832 1.37568 1.38068 1.38781 1.39963 1.40238 1.41460 1.42150 1.42298 1.43740 1.43991 1.44998 1.45571 1.46431 1.46864 1.47247 1.47933 1.48600 1.49359 1.50342 1.50475 1.51094 1.51898 1.52996 1.53743 1.54543 1.55972 1.56230 1.57849 1.59431 1.59458 1.59837 1.59987 1.62149 1.63370 1.63645 1.64665 1.67167 1.69011 1.69447 1.70724 1.72104 1.72835 1.73629 1.74434 1.76216 1.77087 1.77884 1.79281 1.79548 1.80920 1.82169 1.82470 1.83774 1.84469 1.87084 1.87976 1.89545 1.90001 1.91346 1.92833 1.93142 1.94402 1.95110 1.97163 1.97963 2.00620 2.01750 2.02323 2.04361 2.05570 2.06064 2.07758 2.09609 2.11639 2.13267 2.13939 2.16228 2.17860 2.19025 2.19514 2.20105 2.21673 2.22546 2.24677 2.25356 2.25747 2.27396 2.28968 2.29420 2.30063 2.31026 2.32101 2.32294 2.33265 2.34224 2.35026 2.35755 2.37564 2.38971 2.39625 2.40022 2.41251 2.41627 2.42647 2.43484 2.44008 2.45194 2.45997 2.46506 2.47025 2.47820 2.48892 2.49751 2.50946 2.51929 2.53532 2.54126 2.55032 2.56291 2.58793 2.61240 2.61830 2.62457 2.62964 2.67030 2.70009 2.71442 2.73559 2.76186 2.79590 2.81062 2.81899 2.83723 2.84562 2.84704 2.85882 2.88723 2.89220 2.91917 2.93868 2.95524 2.96544 2.97227 2.99364 2.99779 3.00518 3.01518 3.02051 3.03966 3.05657 3.06790 3.07199 3.08442 3.10429 3.11359 3.13626 3.13988 3.15332 3.16206 3.18746 3.20296 3.22813 3.23667 3.25121 3.25532 3.28952 3.29996 3.32585 3.33563 3.35498 3.35711 3.37750 3.38892 3.39579 3.41007 3.41579 3.43160 3.44674 3.46512 3.47568 3.49566 3.50251 3.52016 3.53240 3.54702 3.55354 3.56694 3.57867 3.58961 3.60112 3.60486 3.61340 3.62835 3.63541 3.64183 3.64690 3.65419 3.65979 3.67276 3.68333 3.68653 3.69441 3.69826 3.71150 3.72804 3.73932 3.74540 3.75369 3.77434 3.78227 3.78654 3.79936 3.80650 3.82402 3.82982 3.83099 3.84773 3.85120 3.85990 3.87240 3.87641 3.88941 3.90957 3.91257 3.91941 3.94975 3.95126 3.96282 3.97286 3.98664 3.99407 4.00288 4.01227 4.02233 4.03136 4.05554 4.06677 4.09560 4.10676 4.11266 4.14068 4.14901 4.15918 4.17217 4.20191 4.21396 4.22284 4.25220 4.26536 4.28011 4.28222 4.28943 4.30685 4.31910 4.34709 4.35612 4.39096 4.40313 4.41892 4.43639 4.44563 4.47108 4.48569 4.49956 4.52673 4.54333 4.58818 4.60145 4.61834 4.65294 4.68121 4.72597 4.75779 5.01968 5.18327 5.21712 5.28769 5.47152 5.47769 5.54872 5.78628 5.81734 5.83764 6.94076 6.94291 6.97777 7.02689 7.04028 7.08828 7.10738 7.12053 7.16161 7.22326 7.22720 7.28572 7.39988 7.41903 7.45200 23.92297 23.93656 23.96288 24.02300 24.06463 24.08930 24.10769 24.15184 24.16212 24.19223 24.20109 24.22042 24.27151 24.30251 24.39445 50.11663 50.14649 50.16409 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 -0.717508 0.058634 -0.386365 0.617225 0.343559 -0.537779 0.339026 0.157277 0.149713 0.107104 0.144057 -0.826530 0.159325 -0.073942 0.740858 -0.913913 0.157141 -0.159062 0.155552 0.161209 -0.387843 0.287345 0.175515 0.135008 0.161796 -0.546062 0.190154 0.175446 0.186753 0.128016 0.130063 -0.319275 0.164315 0.148145 -0.443713 0.299384 -0.357770 0.271618 -0.620365 0.176805 0.190690 0.178395 -0.00000 -0.9378 2.8553 -0.7329 3.0935 -114.9019 -123.9601 -105.4991 -10.2970 -4.1727 -3.5051 -0.1148 -9.1731 9.2879 -10.2970 -4.1727 -3.5051 -4.4486 51.2408 -15.0405 0.5611 -26.8972 -17.1831 -3.7566 -11.1698 8.5715 1.2103 -2521.6043 -2303.0008 -634.5263 -152.3164 -79.9445 -16.9557 -17.2398 19.1783 14.7029 -792.5088 -508.2567 -448.5376 -9.0574 4.2748 23.6985 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-1-11 ASR04 2026-03-24T00:00:00.000 0 Title 0 1 Version=ES64L-G16RevC.01 State=1-A HF=-811.7350298 RMSD=2.244e-09 Dipole=-0.3689628,1.1233676,-0.2883556 Quadrupole=-0.0853824,-6.8199646,6.905347,-7.6555935,-3.102296,-2.6059922 PG=C01 [X(C15H24O3)] 0 -0.220802 1.553878 1.314175 0 -0.029508 0.020594 1.542758 0 -0.668076 -0.842002 0.405993 0 -0.755992 1.959231 -0.096308 0 -2.213739 -0.692162 0.206056 0 -2.264303 1.821124 -0.043189 0 -2.882445 0.649455 0.109136 0 -0.907828 1.964786 2.060298 0 0.738304 2.054078 1.486494 0 -0.409503 -0.258811 2.531921 0 -2.676159 -1.209168 1.054811 0 -0.204614 1.035397 -1.236409 0 -0.993833 0.921248 -1.986562 0 0.247721 -0.370108 -0.76886 0 1.708992 -0.417438 -0.155009 0 1.473529 -0.320937 1.388213 0 1.731271 -1.25798 1.888623 0 -0.48594 -2.355922 0.74989 0 -1.205745 -2.611147 1.542575 0 0.500629 -2.568867 1.151086 0 -0.644449 -3.237245 -0.364698 0 -1.452778 -2.945425 -0.824425 0 2.108543 0.443727 1.843804 0 0.194145 -1.053262 -1.621076 0 0.606702 1.540503 -1.765085 0 -0.394888 3.426166 -0.384263 0 -0.796343 4.087815 0.3923 0 0.690484 3.565714 -0.417993 0 -0.807714 3.746027 -1.348165 0 -3.968872 0.604935 0.155399 0 -2.856883 2.733823 -0.096886 0 2.59836 0.757581 -0.622415 0 2.669507 0.766975 -1.719365 0 2.18691 1.715652 -0.302357 0 3.914318 0.727544 -0.049225 0 4.400314 -0.023101 -0.415436 0 -2.65257 -1.500456 -0.937454 0 -2.496026 -0.986878 -1.743666 0 2.422601 -1.722257 -0.574563 0 3.320452 -1.895616 0.029367 0 1.779687 -2.596161 -0.466345 0 2.720969 -1.673222 -1.629531