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=conformer8.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 1559.6063097121 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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1.71875 1.72350 1.73464 1.75178 1.76091 1.76629 1.78161 1.78997 1.80191 1.80615 1.81588 1.82743 1.83393 1.84344 1.86903 1.88408 1.89567 1.91072 1.91736 1.92074 1.93897 1.95287 1.95980 1.96777 1.98835 2.00488 2.01827 2.03257 2.03973 2.04801 2.07554 2.08309 2.08933 2.10194 2.11511 2.13158 2.14239 2.16401 2.17999 2.18686 2.20015 2.22505 2.23416 2.24322 2.25723 2.26805 2.28706 2.29659 2.30152 2.30767 2.31739 2.32412 2.33035 2.34105 2.34709 2.35752 2.36053 2.37641 2.38552 2.39335 2.39869 2.41206 2.42200 2.42391 2.42987 2.44325 2.45040 2.45514 2.46490 2.46835 2.47807 2.49408 2.50353 2.51003 2.51877 2.52169 2.54997 2.55356 2.56549 2.58417 2.59260 2.60984 2.61886 2.62507 2.66930 2.70761 2.72121 2.73280 2.77054 2.77974 2.80087 2.81594 2.82609 2.83734 2.85297 2.87314 2.89147 2.91520 2.92655 2.95047 2.95628 2.96320 2.98509 2.98898 2.99839 3.00320 3.01092 3.02385 3.04084 3.04953 3.05843 3.07706 3.08623 3.08842 3.10557 3.11185 3.15222 3.15843 3.16555 3.18757 3.21784 3.22652 3.24674 3.25213 3.26783 3.29112 3.30695 3.32734 3.33452 3.35239 3.36243 3.37920 3.38658 3.39654 3.40934 3.42075 3.43332 3.45015 3.46124 3.48908 3.49137 3.50227 3.52356 3.52938 3.54741 3.55056 3.55985 3.56931 3.58571 3.59487 3.59807 3.61619 3.62145 3.63489 3.63800 3.64426 3.64795 3.66811 3.67401 3.68164 3.69199 3.69695 3.70037 3.70999 3.72268 3.73056 3.74955 3.76219 3.77386 3.78090 3.79074 3.79686 3.80525 3.81824 3.82215 3.84259 3.84880 3.85338 3.86260 3.86971 3.87175 3.88453 3.89899 3.90709 3.91690 3.95232 3.95716 3.96394 3.96612 3.97708 3.98830 4.00112 4.00588 4.03182 4.05432 4.05716 4.06570 4.09391 4.09526 4.10880 4.12721 4.15701 4.17010 4.17291 4.19729 4.20841 4.22866 4.25482 4.25983 4.27700 4.28035 4.29772 4.30957 4.34752 4.34959 4.35871 4.37772 4.39742 4.41148 4.43780 4.44684 4.46549 4.48544 4.49736 4.52584 4.54354 4.59611 4.60471 4.61864 4.65010 4.68062 4.72706 4.75641 5.02089 5.17162 5.22294 5.22947 5.49985 5.50532 5.55266 5.81721 5.83860 5.85050 6.93857 6.94348 6.99704 7.04974 7.05515 7.08729 7.10141 7.13622 7.14413 7.23016 7.24821 7.26520 7.40804 7.42158 7.45252 23.92244 23.93562 23.95995 24.02207 24.07000 24.08734 24.12003 24.15340 24.16869 24.18932 24.20777 24.22184 24.27077 24.30098 24.40176 50.12911 50.14671 50.16518 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 -0.685185 0.122311 0.141021 0.501081 0.078036 -0.609818 0.393101 0.156388 0.147495 0.107404 0.154048 -0.718887 0.168119 -0.003108 0.512945 -1.060806 0.159780 -0.196231 0.153037 0.162160 -0.405618 0.294161 0.165460 0.129259 0.111714 -0.578227 0.189644 0.175748 0.186713 0.128176 0.129201 -0.313504 0.145538 0.156090 -0.425318 0.283524 -0.452498 0.314768 -0.448114 0.185244 0.166065 0.179086 -0.00000 -4.9266 2.6560 2.1054 5.9799 -110.1403 -120.6806 -108.6453 2.5326 6.9949 -2.0555 3.0151 -7.5252 4.5101 2.5326 6.9949 -2.0555 -100.5316 43.6892 -16.1647 -19.4820 -35.4489 10.4169 -1.7637 -8.4316 4.5600 -1.4383 -2305.7315 -2303.4865 -737.8070 52.4394 165.2781 31.1432 -11.3257 -12.8331 4.7721 -701.4329 -516.8847 -458.8842 46.8672 25.8003 25.2519 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-1-34 ASR04 2026-03-24T00:00:00.000 0 Title 0 1 Version=ES64L-G16RevC.01 State=1-A HF=-811.7338305 RMSD=3.316e-09 Dipole=-1.938281,1.0449586,0.8283254 Quadrupole=2.2416458,-5.5948009,3.3531551,1.8829557,5.2005369,-1.5282005 PG=C01 [X(C15H24O3)] 0 -0.455223 1.472308 1.455631 0 -0.205631 -0.057607 1.637737 0 -0.629037 -0.895212 0.387864 0 -0.802082 1.921096 0.00208 0 -2.131217 -0.807905 -0.030409 0 -2.292154 1.710682 -0.174236 0 -2.854785 0.502858 -0.168294 0 -1.266853 1.804706 2.11006 0 0.437195 2.012654 1.789596 0 -0.69673 -0.408768 2.5522 0 -2.68359 -1.386695 0.723817 0 -0.044888 1.080703 -1.083343 0 -0.710458 0.961173 -1.942497 0 0.416328 -0.326101 -0.625508 0 1.779575 -0.342736 0.182355 0 1.323186 -0.307762 1.680149 0 1.572155 -1.245294 2.184084 0 -0.418447 -2.413615 0.699534 0 -1.244959 -2.741378 1.348136 0 0.497502 -2.591795 1.255652 0 -0.335945 -3.249997 -0.456365 0 -1.065685 -2.970944 -1.039097 0 1.831794 0.478755 2.247872 0 0.50352 -0.966103 -1.506817 0 0.799355 1.667838 -1.454677 0 -0.479513 3.415055 -0.168528 0 -1.023533 4.019378 0.566899 0 0.590782 3.603928 -0.035083 0 -0.763375 3.762799 -1.168726 0 -3.935019 0.406767 -0.274459 0 -2.920624 2.595491 -0.270618 0 2.694059 0.877616 -0.061493 0 2.180525 1.812294 0.194631 0 3.559589 0.795724 0.603543 0 3.25345 0.962713 -1.380202 0 2.536864 1.016527 -2.02694 0 -2.238666 -1.536911 -1.299922 0 -3.175032 -1.685386 -1.494585 0 2.60948 -1.599229 -0.155809 0 3.002213 -1.529791 -1.174566 0 3.462529 -1.683573 0.528322 0 2.023213 -2.515646 -0.091222