Gaussian 16 13-Aug-2024 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 89 89 179 179 2071 (5D, 7F) def2TZVPP RMN15 def2TZVPP SP # mn15/def2tzvpp scrf=(solvent=2-propanol,smd) scf=xqc guess=read 703.7968700000002 0 1 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g16 /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l1.exe "/scratch/gfernan/job_33040117/Gau-2035161.inp" -scrdir="/scratch/gfernan/job_33040117/" nprocshared=12 mem=12GB chk=1.chk # mn15/def2tzvpp scrf=(solvent=2-propanol,smd) scf=xqc guess=read 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,70=32201,72=73,74=-73,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=73/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 SMD(2-propanol)-MN15/Def2-TZVPP//MN15/BS1 Stoichiometry C36H42NNaO8Pd Framework group C1[X(C36H42NNaO8Pd)] Deg. of freedom 261 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 2356 A 2071 A 3164 2356 7168.0684204600 89 1.00e+00 60 T 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 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 0 0 0 0 0 703.7968700000002 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1.37831 1.38221 1.38529 1.38790 1.38956 1.39310 1.39824 1.40007 1.40304 1.40579 1.40754 1.40895 1.41170 1.41214 1.41725 1.42067 1.42260 1.42549 1.43022 1.43099 1.43387 1.43717 1.44011 1.44200 1.44689 1.44924 1.45257 1.45361 1.45960 1.46098 1.46483 1.46704 1.46995 1.47086 1.47187 1.47365 1.47745 1.47983 1.48471 1.48514 1.48876 1.48884 1.49051 1.49755 1.49806 1.50088 1.50521 1.50781 1.50844 1.51014 1.51334 1.51455 1.51627 1.52138 1.52324 1.52485 1.52836 1.52910 1.53269 1.53302 1.53609 1.53690 1.54019 1.54247 1.54652 1.54856 1.55083 1.55426 1.55476 1.55929 1.56258 1.56439 1.56533 1.56820 1.57223 1.57375 1.57529 1.57813 1.58086 1.58550 1.58686 1.58991 1.59291 1.59677 1.59986 1.60147 1.60362 1.60544 1.60884 1.61160 1.61264 1.61694 1.61828 1.62217 1.62406 1.62606 1.63075 1.63223 1.63376 1.63774 1.64232 1.64284 1.64508 1.64867 1.65170 1.65601 1.65775 1.65956 1.66152 1.66837 1.66958 1.67516 1.67601 1.67863 1.68041 1.68459 1.68745 1.69244 1.69683 1.69971 1.70213 1.70708 1.70821 1.71128 1.71815 1.71906 1.72122 1.72481 1.72796 1.73182 1.73539 1.73865 1.74135 1.74138 1.74676 1.75077 1.75332 1.75621 1.75940 1.76006 1.76709 1.76819 1.76993 1.77180 1.77388 1.78118 1.78715 1.78994 1.79551 1.79964 1.80376 1.80651 1.80715 1.81481 1.81703 1.81928 1.82217 1.82891 1.83622 1.83904 1.84610 1.84717 1.85432 1.86126 1.86553 1.87025 1.87483 1.87815 1.87928 1.88787 1.89207 1.89498 1.89868 1.90114 1.90562 1.90940 1.91588 1.91870 1.92169 1.92409 1.92716 1.93164 1.93381 1.93788 1.94493 1.94704 1.95296 1.95490 1.95732 1.96433 1.96626 1.97283 1.97592 1.98339 1.98571 1.98967 1.99360 1.99827 2.01539 2.01992 2.02457 2.02548 2.02778 2.03259 2.03526 2.04149 2.04432 2.05052 2.05309 2.05683 2.05878 2.06203 2.06540 2.06744 2.07024 2.07387 2.07588 2.08146 2.08616 2.08727 2.09172 2.09696 2.09937 2.10148 2.10414 2.10743 2.10835 2.11118 2.11485 2.11726 2.12154 2.12628 2.12726 2.13137 2.13985 2.14334 2.15086 2.15451 2.16069 2.16599 2.17026 2.17325 2.17949 2.18827 2.19185 2.19741 2.19817 2.20845 2.21132 2.21367 2.21808 2.21960 2.22535 2.22894 2.23295 2.23481 2.24049 2.24340 2.24945 2.25382 2.25701 2.25773 2.26196 2.26349 2.26847 2.27388 2.27633 2.27802 2.28728 2.29138 2.29461 2.30285 2.30463 2.30969 2.31501 2.32200 2.33135 2.33472 2.33686 2.34116 2.34645 2.34994 2.35239 2.35640 2.36342 2.36487 2.36936 2.37328 2.37931 2.38257 2.38484 2.39187 2.40264 2.40307 2.40599 2.41232 2.41748 2.42470 2.43213 2.43629 2.44202 2.44292 2.45368 2.45742 2.46041 2.46283 2.46423 2.46951 2.47251 2.47814 2.48026 2.48433 2.49235 2.49275 2.49829 2.50123 2.50549 2.50781 2.51412 2.52144 2.52397 2.52573 2.53137 2.53795 2.53881 2.54526 2.54995 2.55348 2.55544 2.56015 2.56448 2.56652 2.57290 2.57791 2.58041 2.58129 2.58943 2.59327 2.59462 2.59615 2.60280 2.61477 2.61964 2.62223 2.62720 2.63329 2.63757 2.64103 2.64253 2.64488 2.64931 2.65759 2.66450 2.67101 2.67430 2.67915 2.67978 2.68094 2.68421 2.69188 2.69620 2.69835 2.69975 2.70270 2.70624 2.70847 2.71474 2.71624 2.71948 2.72001 2.72479 2.72728 2.72817 2.72953 2.73264 2.73879 2.74144 2.74174 2.74512 2.75327 2.75511 2.75800 2.76129 2.76720 2.76778 2.76904 2.77075 2.77391 2.77397 2.77718 2.78186 2.78318 2.78530 2.78936 2.79488 2.79827 2.79983 2.80210 2.80277 2.80952 2.81361 2.81700 2.81914 2.82086 2.82155 2.82678 2.83163 2.83247 2.83379 2.83545 2.83692 2.84134 2.84460 2.84772 2.84797 2.85004 2.85122 2.85445 2.85884 2.86228 2.86606 2.86697 2.86880 2.87372 2.87752 2.88024 2.88227 2.88315 2.88579 2.89051 2.89172 2.89202 2.89967 2.90063 2.90389 2.90779 2.91023 2.91704 2.92047 2.92223 2.92551 2.92719 2.92764 2.93192 2.93377 2.93940 2.94132 2.94616 2.94845 2.95301 2.95490 2.95610 2.95732 2.96185 2.96474 2.96761 2.97153 2.97442 2.97705 2.97816 2.98217 2.98437 2.98673 2.98884 2.99102 2.99191 2.99532 2.99808 2.99930 3.00519 3.00561 3.00996 3.01235 3.01502 3.01756 3.02089 3.02150 3.02662 3.02793 3.03086 3.03168 3.03751 3.03891 3.04022 3.04264 3.04781 3.04901 3.05185 3.05535 3.05780 3.06072 3.06326 3.06404 3.06679 3.06907 3.07313 3.07478 3.08036 3.08374 3.08568 3.08857 3.09504 3.09589 3.09922 3.10042 3.10347 3.10378 3.10610 3.10931 3.10982 3.11343 3.11686 3.11911 3.12208 3.12247 3.12684 3.13057 3.13286 3.13640 3.13876 3.14262 3.14370 3.14552 3.14721 3.14958 3.15463 3.15785 3.16183 3.16243 3.16623 3.16928 3.17184 3.17583 3.18008 3.18170 3.18470 3.18590 3.18746 3.19208 3.19480 3.19746 3.19905 3.20629 3.20633 3.20855 3.21035 3.21614 3.21857 3.22493 3.22559 3.22680 3.23326 3.23350 3.23563 3.23642 3.24103 3.24285 3.24592 3.24849 3.25081 3.25389 3.25467 3.25782 3.26171 3.26370 3.26437 3.26768 3.26813 3.27182 3.27576 3.28120 3.28151 3.28446 3.28594 3.28705 3.28934 3.29111 3.29436 3.29665 3.29785 3.30010 3.30173 3.30502 3.31145 3.31467 3.31683 3.32153 3.32213 3.32407 3.32514 3.32671 3.33038 3.33201 3.33388 3.33658 3.33769 3.34255 3.34439 3.34923 3.35200 3.35425 3.35601 3.35786 3.36124 3.36474 3.36604 3.37083 3.37336 3.37483 3.37490 3.37874 3.38074 3.38310 3.38830 3.39127 3.39382 3.39776 3.39976 3.40200 3.40375 3.40657 3.41224 3.41694 3.41884 3.42023 3.42282 3.42583 3.42949 3.43312 3.43414 3.43598 3.43640 3.44083 3.44320 3.44930 3.45144 3.45407 3.45666 3.45811 3.45899 3.46157 3.46430 3.46695 3.46900 3.47179 3.47236 3.47443 3.47700 3.48184 3.48300 3.48812 3.48990 3.49268 3.49382 3.49639 3.50067 3.50099 3.50424 3.50913 3.51056 3.51233 3.51391 3.51564 3.51842 3.52038 3.52312 3.52442 3.52663 3.53094 3.53343 3.53429 3.53896 3.54099 3.54578 3.54915 3.55241 3.55625 3.55867 3.55987 3.56259 3.56893 3.56995 3.57439 3.57814 3.58374 3.58652 3.58828 3.59310 3.59463 3.60077 3.60098 3.60788 3.60855 3.61174 3.61505 3.61754 3.62078 3.62692 3.62780 3.63001 3.63240 3.63743 3.64014 3.64088 3.64523 3.65141 3.65412 3.65677 3.65904 3.66178 3.66511 3.66817 3.67180 3.67453 3.67740 3.67922 3.68109 3.68487 3.68648 3.68712 3.69050 3.69525 3.69815 3.70202 3.70661 3.70915 3.71173 3.71444 3.71675 3.72377 3.72695 3.73066 3.73334 3.73575 3.74215 3.74684 3.74982 3.75323 3.75343 3.75688 3.76181 3.76391 3.77014 3.77221 3.77701 3.78151 3.78638 3.79449 3.79495 3.80142 3.80225 3.80712 3.81078 3.81361 3.81647 3.81863 3.82279 3.82561 3.82785 3.83256 3.83473 3.83596 3.84111 3.84290 3.84750 3.84980 3.85769 3.85864 3.86131 3.86565 3.86635 3.87111 3.87370 3.87618 3.87788 3.88400 3.88861 3.89347 3.89516 3.89618 3.89964 3.90155 3.90413 3.90888 3.91275 3.91652 3.92148 3.92337 3.92545 3.93196 3.93339 3.93600 3.93896 3.94324 3.94643 3.94742 3.95207 3.95808 3.95930 3.96190 3.96295 3.96585 3.96883 3.97067 3.97390 3.97590 3.98221 3.98242 3.98389 3.99045 3.99456 3.99611 3.99714 4.00409 4.00659 4.00839 4.01006 4.01522 4.01693 4.01844 4.02127 4.02414 4.02807 4.03053 4.03365 4.03777 4.04113 4.04423 4.04964 4.05256 4.05796 4.05956 4.06392 4.06606 4.06912 4.07059 4.07342 4.07448 4.07769 4.07955 4.08305 4.08719 4.08949 4.09288 4.09515 4.09674 4.09781 4.09877 4.10570 4.10740 4.10819 4.10959 4.11369 4.11595 4.12136 4.12299 4.12621 4.12874 4.12971 4.13131 4.13849 4.14226 4.14415 4.14770 4.15045 4.15207 4.15349 4.15628 4.16012 4.16134 4.16395 4.16548 4.16811 4.17210 4.17314 4.17453 4.18477 4.18580 4.18806 4.19011 4.19358 4.19484 4.19625 4.19921 4.20264 4.20317 4.20779 4.21226 4.21311 4.21831 4.22102 4.22776 4.22990 4.23260 4.23475 4.23754 4.24321 4.24481 4.25322 4.25400 4.25842 4.26393 4.26836 4.27311 4.27616 4.28624 4.28849 4.29432 4.29682 4.29884 4.29916 4.30312 4.30642 4.31173 4.31504 4.31985 4.32584 4.33020 4.33398 4.33563 4.34131 4.34343 4.34690 4.34947 4.35427 4.35686 4.35951 4.36225 4.37078 4.37864 4.38064 4.38513 4.39046 4.39473 4.39878 4.40304 4.40869 4.40995 4.41607 4.41977 4.42279 4.42987 4.43229 4.43525 4.43837 4.44062 4.44480 4.44878 4.45527 4.45889 4.46782 4.46864 4.47420 4.48327 4.48420 4.49084 4.49643 4.50024 4.50379 4.50562 4.50964 4.51755 4.52197 4.52349 4.52885 4.52970 4.53161 4.53663 4.53711 4.53892 4.54486 4.55344 4.55636 4.55908 4.56096 4.56210 4.56917 4.57209 4.57697 4.58197 4.58343 4.58504 4.59194 4.59508 4.60120 4.60618 4.60731 4.60981 4.61566 4.61926 4.62082 4.62249 4.62593 4.63026 4.63393 4.63677 4.63945 4.64295 4.64997 4.65368 4.65598 4.65956 4.66363 4.66774 4.66966 4.67419 4.67639 4.67847 4.68041 4.68866 4.69486 4.69897 4.70100 4.70276 4.70842 4.70974 4.71205 4.71476 4.71678 4.72165 4.72406 4.72688 4.73056 4.73341 4.73980 4.74204 4.74431 4.75381 4.75582 4.76474 4.76684 4.77231 4.77651 4.78641 4.78883 4.79405 4.79690 4.80707 4.80768 4.81363 4.81695 4.82298 4.82848 4.83427 4.84044 4.84561 4.85220 4.85643 4.85727 4.85796 4.86341 4.87605 4.87868 4.88012 4.88184 4.88730 4.88963 4.89261 4.90515 4.90909 4.91494 4.91911 4.91985 4.92450 4.92860 4.93034 4.93285 4.94491 4.94528 4.95167 4.95595 4.96853 4.97091 4.97727 4.97967 4.99240 4.99745 5.00109 5.00817 5.00943 5.00979 5.01464 5.01998 5.03335 5.03698 5.03956 5.04189 5.05149 5.05320 5.05810 5.06316 5.06580 5.06832 5.07755 5.07988 5.08598 5.09047 5.09261 5.09689 5.09715 5.09904 5.09999 5.10689 5.10816 5.11178 5.11303 5.12084 5.12400 5.12682 5.13002 5.13298 5.13539 5.14061 5.14481 5.14716 5.15012 5.15462 5.15911 5.16240 5.16339 5.16688 5.17079 5.17502 5.17993 5.18105 5.18461 5.18674 5.18996 5.19529 5.19720 5.19849 5.20103 5.20563 5.20739 5.21240 5.21299 5.21833 5.22377 5.22943 5.23323 5.23657 5.23968 5.24679 5.25063 5.25249 5.26015 5.26357 5.26684 5.27246 5.27367 5.27599 5.28157 5.28708 5.28860 5.29472 5.29780 5.30201 5.30804 5.31337 5.31619 5.31793 5.32124 5.32855 5.33344 5.33585 5.34182 5.34917 5.35182 5.36101 5.36475 5.36908 5.37578 5.38073 5.38766 5.39361 5.39797 5.40494 5.40860 5.41518 5.42302 5.43394 5.43953 5.44426 5.45169 5.45435 5.45565 5.46416 5.46869 5.47021 5.47566 5.47806 5.48227 5.48805 5.48867 5.49563 5.49782 5.50035 5.50098 5.50524 5.50740 5.50796 5.51317 5.51524 5.52219 5.52545 5.53459 5.53673 5.54234 5.54563 5.54828 5.54852 5.55505 5.56106 5.57238 5.57491 5.57979 5.58434 5.58967 5.60677 5.61436 5.62006 5.63221 5.64919 5.65315 5.66625 5.67157 5.68266 5.69704 5.71633 5.72220 5.73133 5.74684 5.75060 5.75410 5.76118 5.77668 5.78106 5.79689 5.82230 5.83910 5.85550 5.87408 5.90099 5.94101 5.94457 5.96974 5.98335 5.98727 5.99543 5.99946 6.01978 6.03464 6.06159 6.07805 6.09279 6.10302 6.12851 6.17794 6.18356 6.22936 6.23543 6.25485 6.28133 6.30224 6.30380 6.31762 6.32867 6.33391 6.35000 6.35645 6.37262 6.38190 6.42097 6.45993 6.46167 6.49113 6.50382 6.53151 6.55191 6.58886 6.62697 6.63096 6.65262 6.66190 6.67900 6.68636 6.68895 6.69484 6.71804 6.73272 6.73922 6.75850 6.80764 6.85265 6.85873 6.87761 6.88743 6.91326 6.92035 6.95652 6.96061 7.02564 7.03258 7.03600 7.06819 7.09658 7.10398 7.12071 7.18483 7.28043 7.32256 7.33044 7.38215 21.94498 21.97045 21.99580 22.11535 22.19243 22.21309 22.25562 22.27431 22.28236 22.33731 22.34143 22.35372 22.37830 22.38686 22.39318 22.42458 22.43352 22.44549 22.44892 22.46964 22.52977 22.59335 22.62328 22.72604 22.72809 22.73447 22.73852 22.74737 22.76196 22.77621 22.81922 22.90399 22.90857 23.08380 23.12274 23.14531 31.82525 32.06612 42.31610 42.41205 42.42485 42.44557 42.48349 42.51461 42.62213 42.83037 106.64313 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 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 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 Pd C O C C C C C H H C O O C H H C C H C H H H C C C C H C H C H H Na C H H H C H H H C H H C H H C O C H H H O C C C C H H H H H H H H H N C C H C O O H H C C C C H C H C H H O H 0.271615 0.445958 -0.428699 -0.245350 -0.132467 -0.076870 -0.043963 -0.077092 0.241706 0.150271 0.288947 -0.491355 -0.494446 -0.205720 0.306749 0.237794 -0.101499 -0.145552 0.264044 -0.624284 0.226771 0.229080 0.210758 -0.020442 -0.176553 -0.249614 -0.210539 0.226665 -0.257533 0.256076 -0.067401 0.248507 0.244586 0.677859 -0.587144 0.116390 0.192509 0.227972 -0.543642 0.173847 0.195776 0.201479 -0.437734 0.286466 0.230732 -0.388206 0.243634 0.229640 0.416394 -0.312989 -0.542821 0.192489 0.167050 0.178410 -0.217449 -0.117901 -0.517537 -0.522371 -0.559249 0.206667 0.204876 0.209771 0.200098 0.209840 0.204270 0.191550 0.206110 0.223601 -0.245399 -0.158954 0.217884 0.284245 -0.552814 -0.435174 -0.436713 0.257386 0.266816 0.106541 -0.238502 -0.271607 -0.274050 0.234058 -0.353064 0.253631 0.223234 0.249971 0.268984 -0.328701 0.291689 -0.00000 -5.1210 5.6438 -11.0614 13.4325 -277.1727 -291.3000 -271.9970 -26.2167 -1.5651 -1.3998 2.9839 -11.1435 8.1596 -26.2167 -1.5651 -1.3998 -248.9650 121.4521 40.7627 10.9674 -4.5948 -127.7009 -32.4712 107.1425 -25.9394 29.3062 -19946.7729 -10584.4080 -4107.5732 -754.6894 -275.1474 -517.4431 20.9963 -73.1924 -102.3341 -4927.1089 -4057.3184 -2389.4603 83.1771 3.9156 -147.9705 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-2-29 GFERNAN 2024-08-13T00:00:00.000 0 SMD(2-propanol)-MN15/Def2-TZVPP//MN15/BS1 0 1 Version=ES64L-G16RevC.01 State=1-A HF=-2342.2311089 RMSD=3.897e-09 Dipole=-2.014775,2.2204578,-4.3518752 Quadrupole=2.2184611,-8.2849016,6.0664405,-19.4915075,-1.163585,-1.0406858 PG=C01 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