Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 32 32 52 52 686 (5D, 7F) def2TZVPP 90 C1[X(C13H18O)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 172.1385 0 1 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;21;22;23;24;27;32;9;10;11;12;13;14;15;16;17;18;19;20;25;26;28;29;30;31/rA:32nC0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0C0H0H0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1878,-1.2309,-.9429;-.9868,.0098,-.0443;-1.0842,-.1419,1.4969;-2.6301,-.1456,1.5563;-1.2089,1.414,-.6488;-2.7556,1.3698,-.593;-2.7326,-.0128,.0415;-2.7345,-1.2527,-.8393;-.6912,-2.1266,-.5399;-.7921,-1.0665,-1.9567;-.6181,-1.0695,1.8615;-.6001,.6982,2.0183;-3.0733,-1.0733,1.9497;-3.072,.7008,2.1041;-.7866,1.5068,-1.6614;-.7536,2.1953,-.0203;-3.2472,1.3917,-1.5774;-3.2189,2.1444,.0371;-3.263,-1.1187,-1.7954;-3.1464,-2.1452,-.3441;1.1647,.0575,-.1162;1.8416,1.2314,-.1868;1.7871,-1.1161,.1773;3.2388,1.1435,.3824;1.5419,2.0812,-.8062;1.3376,-2.0062,.6225;3.8792,-.1011,-.2512;3.2285,1.0346,1.4806;3.8545,2.0228,.1424;4.0117,.0669,-1.3346;4.8655,-.3166,.186;3.1096,-1.2836,-.0697; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_783_L-TS-cyclohexadiene-O-1-fo_tight_redo_stableSP/Gau-103306.inp" -scrdir="/fast/scratch/foo/job_783_L-TS-cyclohexadiene-O-1-fo_tight_redo_stableSP/" nproc=64 mem=480GB #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 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=1,74=-58,75=-5,116=2/1,2,3 4/13=-1/1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 8/6=1,10=90,11=11/1 9/8=-3,42=1,46=1/14 5/5=2,8=3,17=40,38=5/8(-2) 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Title Card Required 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 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 12 12 12 12 1 1 12 1 1 1 1 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 0 1 1 1 1 0 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 774 A 686 A 1020 774 919.4982759620 32 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Grimme-D2 -0.0269117711 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 0 172.1385 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;21;22;23;24;27;32;9;10;11;12;13;14;15;16;17;18;19;20;25;26;28;29;30;31/rA:32nC0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0C0H0H0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1878,-1.2309,-.9429;-.9868,.0098,-.0443;-1.0842,-.1419,1.4969;-2.6301,-.1456,1.5563;-1.2089,1.414,-.6488;-2.7556,1.3698,-.593;-2.7326,-.0128,.0415;-2.7345,-1.2527,-.8393;-.6912,-2.1266,-.5399;-.7921,-1.0665,-1.9567;-.6181,-1.0695,1.8615;-.6001,.6982,2.0183;-3.0733,-1.0733,1.9497;-3.072,.7008,2.1041;-.7866,1.5068,-1.6614;-.7536,2.1953,-.0203;-3.2472,1.3917,-1.5774;-3.2189,2.1444,.0371;-3.263,-1.1187,-1.7954;-3.1464,-2.1452,-.3441;1.1647,.0575,-.1162;1.8416,1.2314,-.1868;1.7871,-1.1161,.1773;3.2388,1.1435,.3824;1.5419,2.0812,-.8062;1.3376,-2.0062,.6225;3.8792,-.1011,-.2512;3.2284,1.0346,1.4806;3.8545,2.0228,.1423;4.0117,.0669,-1.3346;4.8655,-.3166,.186;3.1096,-1.2836,-.0697; 0.000000 1.545059 0.000000 2.673783 1.551760 0.000000 3.082832 2.299290 1.547077 0.000000 2.661280 1.544819 2.653456 3.052068 0.000000 3.056823 2.297677 3.073560 2.632840 1.548359 0.000000 2.199764 1.748044 2.202772 1.524097 2.198625 1.521422 0.000000 1.550294 2.297902 3.068386 2.641052 3.078146 2.634140 1.520856 0.000000 1.100571 2.212967 2.870843 3.475243 3.579895 4.060710 2.995514 2.242366 0.000000 1.100686 2.203133 3.587191 4.070337 2.835022 3.413335 2.977993 2.248574 1.772408 0.000000 2.866199 2.221079 1.100269 2.234911 3.580354 4.067417 2.983310 3.436083 2.624747 3.822218 0.000000 3.582601 2.208540 1.100874 2.246434 2.827833 3.451971 2.993453 4.065339 3.812030 4.353366 1.774730 0.000000 3.456461 3.082706 2.242579 1.100780 4.051584 3.540488 2.209561 2.815214 3.603046 4.523752 2.456796 3.042970 0.000000 4.070086 3.072674 2.242857 1.100831 3.399786 2.796750 2.208801 3.548701 4.544533 4.981122 3.035563 2.473444 1.780785 0.000000 2.858701 2.212664 3.575176 4.059898 1.101007 2.244387 2.999292 3.476331 3.803727 2.590216 4.367705 3.772105 4.992611 4.477909 0.000000 3.574654 2.197949 2.806013 3.389234 1.101231 2.239956 2.965762 4.059922 4.353400 3.793482 3.770738 2.533904 4.466046 3.481608 1.779973 0.000000 3.394367 3.060928 4.059799 3.544595 2.239958 1.100532 2.204113 2.792936 4.470767 3.494875 4.979527 4.518513 4.306590 3.749803 2.464729 3.047678 0.000000 4.059298 3.089513 3.451838 2.810468 2.245901 1.100688 2.211292 3.541538 4.996282 4.491575 4.519026 3.588142 3.745987 2.525423 3.034384 2.466519 1.781507 0.000000 2.246287 3.085588 4.066980 3.546954 3.456648 2.809946 2.208666 1.100638 3.034169 2.476685 4.513362 4.993577 3.750140 4.307252 3.611596 4.519975 2.519872 3.742603 0.000000 2.242882 3.065600 3.413946 2.806451 4.063823 3.545411 2.206114 1.100638 2.463030 3.050675 3.523325 4.488771 2.532960 3.754818 4.543217 4.966867 3.747086 4.307037 1.781415 0.000000 2.806691 2.153209 2.774775 4.152004 2.785294 4.161542 3.901093 4.176471 2.897240 2.912078 2.891355 2.842699 4.848457 4.826326 2.880247 2.873874 4.835304 4.857424 4.879292 4.846554 0.000000 3.976434 3.084205 3.644339 4.993089 3.090673 4.617185 4.745867 5.247580 4.220923 3.917909 3.942117 3.332940 5.833777 5.447327 3.026177 2.773367 5.277814 5.147052 5.845303 6.025476 1.356986 0.000000 3.180807 3.001834 3.306741 4.728099 4.007446 5.235349 4.654319 4.636388 2.770755 3.347918 2.936626 3.518440 5.173664 5.533947 4.109013 4.178401 5.891651 5.975769 5.421640 5.066511 1.360414 2.376257 0.000000 5.195016 4.395707 4.645655 6.122368 4.573625 6.077401 6.091780 6.550829 5.195037 5.157872 4.686218 4.196548 6.871158 6.556378 4.529075 4.148139 6.780106 6.543867 7.220294 7.218928 2.393668 1.511200 2.693561 0.000000 4.294192 3.356381 4.140424 5.286403 2.834905 4.361191 4.834722 5.422494 4.771107 4.084098 4.659375 3.805081 6.232685 5.627039 2.546215 2.428948 4.899547 4.835312 5.857038 6.328989 2.171189 1.093461 3.354166 2.274096 0.000000 3.070619 3.148262 3.178837 4.480638 4.449541 5.443233 4.569143 4.391554 2.341231 3.474301 2.497458 3.607822 4.699777 5.382154 4.697782 4.736901 6.115958 6.191201 5.272432 4.589030 2.198682 3.375107 1.092017 3.686820 4.334748 0.000000 5.237242 4.871597 5.262371 6.755730 5.323707 6.804447 6.618792 6.738837 5.007403 5.065728 5.062333 5.084614 7.357075 7.383076 5.132557 5.175802 7.400816 7.450350 7.377674 7.317447 2.722434 2.435480 2.364481 1.536449 3.245537 3.294311 0.000000 5.523448 4.598192 4.470252 5.976732 4.936400 6.341971 6.221058 6.794811 5.425754 5.691630 4.400973 3.880709 6.661499 6.340044 5.120089 4.410905 7.170234 6.699496 7.583328 7.353819 2.786278 2.177622 2.898584 1.103579 3.028053 3.682159 2.170827 0.000000 6.098231 5.246364 5.559777 6.982200 5.160804 6.682801 6.895120 7.423359 6.192405 5.961608 5.702820 5.011665 7.800425 7.319316 5.005897 4.614119 7.334105 7.075179 8.017582 8.162133 3.341276 2.187721 3.758756 1.099983 2.500209 4.774753 2.160232 1.777441 0.000000 5.373337 5.162669 5.833491 7.246842 5.435037 6.931394 6.883708 6.891867 5.249832 4.974804 5.739554 5.736667 7.892092 7.899759 5.020337 5.381946 7.382806 7.647169 7.385082 7.557316 3.096808 2.717197 2.938470 2.169036 3.230604 3.908874 1.104330 3.078197 2.455946 0.000000 6.225202 5.865932 6.094926 7.621790 6.371064 7.844265 7.605546 7.725774 5.889016 6.096146 5.783149 5.853197 8.167554 8.229161 6.219661 6.158431 8.476096 8.452006 8.404896 8.235027 3.731939 3.417535 3.180634 2.194709 4.216709 3.935990 1.100257 2.486285 2.548903 1.785633 0.000000 4.385477 4.295772 4.620098 6.073122 5.124597 6.458688 5.979781 5.894560 3.921420 4.339485 4.203710 4.695603 6.507735 6.846567 5.049733 5.198922 7.059652 7.198035 6.604129 6.320952 2.362859 2.819036 1.355762 2.472214 3.784472 2.035014 1.422501 2.791346 3.395914 2.058606 2.020893 0.000000 C13H18O C1 1 C1 1 C1 1 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 0 172.1385 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;21;22;23;24;27;32;9;10;11;12;13;14;15;16;17;18;19;20;25;26;28;29;30;31/rA:32nC0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0C0H0H0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1878,-1.2309,-.9429;-.9868,.0098,-.0443;-1.0842,-.1419,1.4969;-2.6301,-.1456,1.5563;-1.2089,1.414,-.6488;-2.7556,1.3698,-.593;-2.7326,-.0128,.0415;-2.7345,-1.2527,-.8393;-.6912,-2.1266,-.5399;-.7921,-1.0665,-1.9567;-.6181,-1.0695,1.8615;-.6001,.6982,2.0183;-3.0733,-1.0733,1.9497;-3.072,.7008,2.1041;-.7866,1.5068,-1.6614;-.7536,2.1953,-.0203;-3.2472,1.3917,-1.5774;-3.2189,2.1444,.0371;-3.263,-1.1187,-1.7954;-3.1464,-2.1452,-.3441;1.1647,.0575,-.1162;1.8416,1.2314,-.1868;1.7871,-1.1161,.1773;3.2388,1.1435,.3824;1.5419,2.0812,-.8062;1.3376,-2.0062,.6225;3.8792,-.1011,-.2512;3.2284,1.0346,1.4806;3.8545,2.0228,.1423;4.0117,.0669,-1.3346;4.8655,-.3166,.186;3.1096,-1.2836,-.0697; 1.5630589 0.4123904 0.3871577 -19.27479 -10.33451 -10.32699 -10.29868 -10.29559 -10.28824 -10.28595 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0.54293 0.54820 0.55039 0.55309 0.55853 0.56620 0.57082 0.57356 0.58317 0.58881 0.59315 0.60133 0.61259 0.63021 0.63513 0.63908 0.64980 0.66791 0.66918 0.67659 0.69091 0.70132 0.70942 0.73041 0.73794 0.74242 0.74937 0.75075 0.77007 0.77714 0.78999 0.80558 0.81393 0.82132 0.82429 0.83334 0.84758 0.86653 0.87473 0.88589 0.89594 0.90469 0.90758 0.91345 0.91705 0.92741 0.93182 0.93870 0.95354 0.96104 0.96760 0.97480 0.98656 1.00223 1.00354 1.00962 1.02593 1.03556 1.04521 1.05164 1.06615 1.07195 1.07684 1.09325 1.09661 1.10463 1.10896 1.11682 1.11843 1.12744 1.13532 1.14136 1.14502 1.15456 1.16342 1.16934 1.17703 1.18047 1.19007 1.19494 1.20377 1.20552 1.21973 1.22722 1.23579 1.24185 1.24757 1.26033 1.26379 1.26825 1.28063 1.28193 1.29032 1.29329 1.29435 1.30524 1.31147 1.31660 1.33373 1.34066 1.34716 1.37083 1.37470 1.38280 1.39074 1.39623 1.40576 1.41814 1.42552 1.43266 1.43864 1.44089 1.45228 1.46255 1.47116 1.48024 1.49119 1.49312 1.50164 1.50765 1.51867 1.51991 1.52745 1.54517 1.54686 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3.04124 3.05754 3.07024 3.07793 3.08524 3.10099 3.11020 3.11446 3.13607 3.14081 3.14353 3.15005 3.15304 3.15764 3.17348 3.17672 3.18596 3.18895 3.19119 3.20823 3.22013 3.22993 3.23424 3.23698 3.25208 3.25684 3.26511 3.27533 3.27727 3.28226 3.29046 3.29631 3.30233 3.30380 3.31103 3.31742 3.32409 3.32998 3.33621 3.35771 3.36116 3.36666 3.37278 3.38047 3.39040 3.39470 3.40902 3.42292 3.42742 3.43902 3.45554 3.46012 3.48333 3.48808 3.49052 3.49820 3.51216 3.51809 3.52290 3.52723 3.53709 3.54540 3.55063 3.55627 3.56222 3.57172 3.57630 3.58471 3.58584 3.59567 3.60577 3.61040 3.61444 3.62000 3.62352 3.63269 3.63677 3.65444 3.66572 3.67613 3.68189 3.68884 3.69696 3.70636 3.71024 3.72069 3.72911 3.74855 3.74909 3.76110 3.76282 3.76978 3.77678 3.78534 3.79705 3.81847 3.82937 3.84037 3.84802 3.85419 3.86201 3.87256 3.88760 3.89246 3.91143 3.92480 3.93801 3.94826 3.95046 3.96091 3.96713 3.96900 3.97969 3.98241 3.99138 3.99545 4.00057 4.01254 4.02485 4.03201 4.03838 4.04560 4.05125 4.06332 4.06372 4.07268 4.08144 4.09193 4.10219 4.11509 4.11663 4.12938 4.13834 4.15142 4.16287 4.16840 4.17457 4.19062 4.20324 4.20440 4.20810 4.21957 4.23928 4.24801 4.26089 4.26476 4.27384 4.27477 4.28129 4.29566 4.30478 4.31333 4.31563 4.31660 4.33348 4.34324 4.36306 4.36397 4.36772 4.37230 4.37824 4.38269 4.38851 4.40181 4.40833 4.41325 4.41889 4.42848 4.43325 4.44751 4.45237 4.46709 4.48339 4.49145 4.50163 4.50748 4.51756 4.52540 4.53253 4.54204 4.56468 4.57050 4.58361 4.59147 4.60367 4.63368 4.63635 4.64790 4.66366 4.66667 4.68320 4.69652 4.70743 4.72027 4.72173 4.75251 4.76227 4.76843 4.76898 4.78542 4.79431 4.81251 4.82893 4.82954 4.83519 4.85524 4.86907 4.88050 4.89343 4.90373 4.91373 4.92304 4.93150 4.93949 4.95341 4.96059 4.97414 4.97592 4.98373 4.99597 5.01474 5.02694 5.04530 5.09364 5.10250 5.10763 5.11217 5.13526 5.14512 5.15050 5.16316 5.17914 5.19864 5.20559 5.21399 5.22041 5.22946 5.23675 5.26264 5.26614 5.26902 5.27697 5.29073 5.30450 5.31002 5.33095 5.34756 5.35892 5.37032 5.38163 5.39478 5.40543 5.41535 5.43788 5.44099 5.44706 5.46043 5.48152 5.50679 5.52676 5.53254 5.54667 5.56700 5.58025 5.60147 5.61970 5.62326 5.63229 5.64434 5.66645 5.68638 5.69893 5.70292 5.70721 5.72832 5.74414 5.75231 5.76907 5.77779 5.79081 5.86542 5.88499 5.92349 5.94967 5.98509 5.99812 6.00394 6.04409 6.14562 6.18238 6.54829 6.69510 6.85733 6.92306 7.12228 7.33353 7.50191 22.78172 22.85724 23.22360 23.30889 23.41931 23.43644 23.44636 23.48231 23.59724 23.59939 23.61395 23.68638 23.83628 44.37029 -19.27627 -10.33488 -10.33123 -10.29714 -10.29344 -10.28752 -10.28504 -10.28343 -10.28294 -10.28274 -10.28267 -10.28232 -10.27901 -10.26269 -1.16550 -0.99028 -0.89908 -0.85940 -0.85327 -0.85284 -0.79645 -0.72935 -0.72299 -0.69814 -0.69465 -0.68102 -0.61340 -0.58642 -0.57297 -0.57136 -0.55632 -0.54930 -0.52848 -0.51428 -0.50684 -0.50380 -0.49797 -0.49468 -0.46775 -0.46496 -0.46282 -0.45435 -0.43436 -0.41507 -0.41307 -0.40823 -0.39502 -0.36793 -0.36691 -0.33077 -0.29841 -0.22503 0.00616 0.10523 0.11719 0.12668 0.12799 0.13129 0.14054 0.14482 0.15264 0.15693 0.15952 0.16494 0.17325 0.17893 0.18588 0.18785 0.19128 0.20990 0.21328 0.21883 0.22999 0.24066 0.24464 0.25443 0.25848 0.26216 0.26314 0.26828 0.27571 0.27698 0.28358 0.28464 0.28836 0.30218 0.30469 0.31522 0.33691 0.33701 0.34840 0.35637 0.36039 0.36324 0.36588 0.37416 0.38061 0.39714 0.40028 0.40781 0.41384 0.42621 0.43274 0.43501 0.44027 0.45361 0.45498 0.45976 0.46465 0.47278 0.47742 0.48452 0.48756 0.48783 0.49242 0.49782 0.50235 0.50693 0.51178 0.51544 0.51973 0.52260 0.52741 0.53366 0.54106 0.54418 0.54797 0.55001 0.55288 0.55929 0.56570 0.57105 0.57343 0.58290 0.59104 0.59275 0.60112 0.61166 0.63137 0.63586 0.63957 0.65058 0.66818 0.67003 0.67805 0.69082 0.70212 0.71006 0.72995 0.73809 0.74288 0.75005 0.75210 0.77108 0.77849 0.79071 0.80587 0.81403 0.82138 0.82394 0.83318 0.84719 0.86659 0.87557 0.88607 0.89609 0.90491 0.90803 0.91441 0.91713 0.92781 0.93243 0.93986 0.95485 0.96068 0.96643 0.97439 0.98572 1.00133 1.00241 1.01016 1.02616 1.03640 1.04437 1.05115 1.06555 1.06959 1.07639 1.09295 1.09709 1.10380 1.11010 1.11682 1.11864 1.12688 1.13594 1.14022 1.14478 1.15559 1.16423 1.16931 1.17728 1.18178 1.19083 1.19461 1.20421 1.20640 1.22059 1.22725 1.23614 1.24212 1.24748 1.26045 1.26433 1.26885 1.28045 1.28090 1.29050 1.29265 1.29467 1.30448 1.31155 1.31541 1.33347 1.34075 1.34659 1.37033 1.37480 1.38353 1.39125 1.39535 1.40688 1.41829 1.42496 1.43263 1.43924 1.44076 1.45274 1.46292 1.47133 1.48002 1.49074 1.49193 1.50244 1.50681 1.51869 1.52024 1.52747 1.54421 1.54663 1.55588 1.56039 1.56642 1.57146 1.57932 1.58066 1.58797 1.59170 1.60393 1.61159 1.62612 1.63320 1.63657 1.63938 1.65319 1.65397 1.66388 1.68170 1.69304 1.70721 1.72580 1.72800 1.73977 1.74646 1.76359 1.76536 1.77432 1.78379 1.79777 1.80243 1.81252 1.83203 1.83476 1.84806 1.85502 1.87822 1.91031 1.92144 1.93409 1.93995 1.94556 1.95560 1.97213 1.98173 1.99882 2.01333 2.03195 2.03877 2.04536 2.05488 2.07384 2.08234 2.11025 2.14177 2.15689 2.16346 2.19425 2.22583 2.24606 2.27207 2.28872 2.30506 2.31522 2.32375 2.36499 2.38313 2.40297 2.42051 2.43833 2.44797 2.45934 2.48524 2.49570 2.50192 2.51060 2.51747 2.52984 2.53836 2.55236 2.59221 2.60306 2.61576 2.63239 2.63305 2.66869 2.67129 2.67181 2.67746 2.68672 2.70370 2.70954 2.72576 2.74480 2.74709 2.75175 2.75713 2.77022 2.77611 2.77908 2.80190 2.80924 2.81459 2.82091 2.82497 2.83782 2.84751 2.85927 2.86312 2.86984 2.88670 2.89164 2.89564 2.90657 2.92116 2.92267 2.93795 2.95507 2.95824 2.97777 2.98128 2.98607 2.99401 3.00946 3.01455 3.03674 3.04163 3.05796 3.07034 3.07695 3.08520 3.10073 3.10932 3.11424 3.13518 3.14173 3.14402 3.14996 3.15351 3.15638 3.17186 3.17742 3.18560 3.18800 3.19197 3.20793 3.22040 3.22963 3.23227 3.23717 3.25288 3.25763 3.26334 3.27446 3.27844 3.28263 3.29122 3.29744 3.30194 3.30417 3.31155 3.31717 3.32359 3.32895 3.33611 3.35439 3.35983 3.36450 3.37319 3.38145 3.38983 3.39621 3.40706 3.42267 3.42784 3.43862 3.45658 3.46072 3.48402 3.48854 3.49131 3.49719 3.51262 3.51835 3.52439 3.52722 3.53809 3.54600 3.55085 3.55656 3.56226 3.57157 3.57536 3.58539 3.58592 3.59631 3.60576 3.61017 3.61452 3.61980 3.62372 3.63487 3.63824 3.65477 3.66521 3.67642 3.68123 3.68819 3.69675 3.70677 3.71119 3.72000 3.72933 3.74844 3.74976 3.76122 3.76296 3.76982 3.77906 3.78601 3.79638 3.81936 3.82969 3.84079 3.84885 3.85460 3.86236 3.87232 3.88717 3.89210 3.91191 3.92551 3.93907 3.94853 3.95192 3.96096 3.96704 3.96942 3.98168 3.98232 3.99265 3.99567 4.00108 4.01388 4.02423 4.03271 4.03878 4.04640 4.05194 4.06346 4.06564 4.07379 4.08277 4.09212 4.10297 4.11475 4.11719 4.13034 4.13960 4.15262 4.16348 4.16947 4.17495 4.19199 4.20326 4.20426 4.20935 4.22071 4.23860 4.24880 4.26164 4.26608 4.27416 4.27597 4.28268 4.29694 4.30549 4.31353 4.31673 4.31713 4.33429 4.34383 4.36305 4.36508 4.36854 4.37345 4.37849 4.38356 4.38863 4.40271 4.40995 4.41345 4.41941 4.42861 4.43303 4.44741 4.45195 4.46841 4.48441 4.49186 4.50235 4.50881 4.51907 4.52556 4.53324 4.54298 4.56529 4.57071 4.58340 4.59106 4.60299 4.63382 4.63673 4.64855 4.66411 4.66706 4.68344 4.69739 4.70829 4.72099 4.72274 4.75166 4.76231 4.76856 4.76955 4.78663 4.79456 4.81307 4.82739 4.82904 4.83732 4.85598 4.86917 4.88139 4.89353 4.90315 4.91358 4.92306 4.93109 4.93938 4.95360 4.96082 4.97272 4.97594 4.98329 4.99507 5.01490 5.02767 5.04569 5.09264 5.10267 5.10774 5.11278 5.13579 5.14548 5.15064 5.16345 5.17939 5.19911 5.20556 5.21412 5.22142 5.23077 5.23751 5.26304 5.26669 5.26985 5.27795 5.29129 5.30490 5.31038 5.33044 5.34791 5.35850 5.37098 5.38209 5.39429 5.40587 5.41557 5.43684 5.44065 5.44733 5.46000 5.48206 5.50605 5.52711 5.53294 5.54727 5.56523 5.57805 5.60163 5.61785 5.62347 5.63267 5.64386 5.66686 5.68618 5.69907 5.70343 5.70741 5.72861 5.74417 5.75214 5.77020 5.77735 5.78992 5.86592 5.88556 5.92376 5.95064 5.98537 5.99841 6.00422 6.04093 6.14126 6.17890 6.54613 6.69503 6.85201 6.91768 7.11667 7.33299 7.50066 22.78650 22.86233 23.21806 23.30772 23.41946 23.43630 23.44627 23.48228 23.59774 23.59874 23.61443 23.68639 23.83747 44.36891 1-A. -0.5013 0.8420 0.2070 1.0015 -82.1651 -85.5164 -85.3123 4.5232 0.2547 -1.6748 2.1662 -1.1851 -0.9811 4.5232 0.2547 -1.6748 42.2820 -4.5590 -3.3324 -2.5297 15.7182 -1.0678 1.9936 -0.4876 3.4983 -2.3173 -2983.1256 -676.2134 -471.9276 40.0260 -1.0895 2.1734 -10.0494 6.7156 -0.2222 -643.4095 -583.6374 -192.4934 -4.4868 -7.8944 -6.6764 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 768 768 768 768 768 MxSgAt= 32 MxSgA2= 32. 1 open 1 0 1 -580.950404361409 -581.062544999689 -0.112140638280 -581.124444677376 -0.061899677687 -581.211306261711 -0.086861584335 -581.216357900958 -0.005051639247 -581.218053417590 -0.001695516632 -581.218627596614 -0.000574179024 -581.219012777889 -0.000385181276 -581.219163595198 -0.000150817308 -581.219227703273 -0.000064108076 -581.219268488120 -0.000040784847 -581.219281750636 -0.000013262516 -581.219287890173 -0.000006139537 -581.219293312462 -0.000005422289 -581.219293522635 -0.000000210173 -581.219187417952 0.000106104683 -581.219199859913 -0.000012441961 -581.219199937690 -0.000000077777 -581.219199954690 -0.000000017000 -581.219199965548 -0.000000010858 -581.219199970749 -0.000000005201 -581.219199973707 -0.000000002958 -581.219199974261 -0.000000000554 -581.219199974376 -0.000000000115 -581.219199974384 -0.000000000009 -581.219199974421 -0.000000000037 -581.219199974 26 0.4689 5.779042173840e+02 -3.189480530944e+03 1.110885749395e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423254266 LenY= 64422654416 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 0.4689 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 C C C C C C C C H H H H H H H H H H H H C C C C H H C H H H H O 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 1 1 1 1 13 13 13 13 1 1 13 1 1 1 1 17 0.05718 0.01430 0.05985 -0.02024 0.05556 -0.01834 0.06504 -0.01816 0.00024 0.00000 -0.00027 0.00009 0.00128 0.00110 0.00003 0.00029 0.00129 0.00108 0.00138 0.00107 0.21676 -0.02669 -0.00372 0.02673 0.00809 0.00710 -0.02541 -0.00537 0.00061 -0.00164 -0.00324 -0.00741 32.13895 8.04017 33.64027 -11.37431 31.23096 -10.31117 36.55624 -10.20707 0.53493 0.00103 -0.60970 0.19011 2.85506 2.45785 0.05998 0.64673 2.89303 2.40403 3.08195 2.40246 121.83894 -14.99986 -2.09012 15.02464 18.08343 15.86281 -14.28124 -12.00784 1.36642 -3.66544 -7.24868 2.24699 11.46798 2.86893 12.00369 -4.05864 11.14398 -3.67928 13.04418 -3.64214 0.19088 0.00037 -0.21756 0.06784 1.01876 0.87702 0.02140 0.23077 1.03230 0.85782 1.09972 0.85726 43.47516 -5.35232 -0.74581 5.36117 6.45262 5.66025 -5.09590 -4.28470 0.48757 -1.30792 -2.58651 0.80178 10.72040 2.68191 11.22119 -3.79406 10.41753 -3.43944 12.19385 -3.40471 0.17843 0.00034 -0.20337 0.06341 0.95235 0.81985 0.02001 0.21572 0.96501 0.80190 1.02803 0.80138 40.64110 -5.00341 -0.69719 5.01168 6.03198 5.29126 -4.76371 -4.00538 0.45579 -1.22266 -2.41790 0.74952 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 0.002489 -0.132750 0.005111 -0.005117 0.002802 -0.002198 0.453214 -0.002131 -0.004066 -0.001084 -0.002183 -0.001115 -0.002680 -0.002606 -0.001552 -0.004625 -0.002190 -0.002462 -0.002235 -0.002499 0.313152 0.093711 0.169279 0.023066 0.014550 0.014765 0.000532 -0.000028 -0.003232 0.001466 -0.002857 0.226842 0.005968 0.065287 -0.022294 0.000851 0.015032 0.001979 -0.227490 0.001571 0.004497 -0.001574 0.001368 -0.000771 -0.001744 -0.002702 -0.000214 0.004308 0.001251 0.005474 -0.000190 0.005040 -0.285549 0.163169 0.174133 -0.014233 -0.004772 -0.008815 -0.011136 -0.001648 0.002053 0.000681 0.001432 0.157264 -0.008456 0.067463 0.017183 0.004266 -0.017834 0.000219 -0.225724 0.000559 -0.000431 0.002658 0.000816 0.001886 0.004423 0.005309 0.001766 0.000317 0.000940 -0.003013 0.002425 -0.002541 -0.027604 -0.256880 -0.343413 -0.008833 -0.009779 -0.005951 0.010604 0.001676 0.001178 -0.002147 0.001425 -0.384105 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 -0.015425 -0.001633 -0.000564 0.000549 0.019430 -0.004035 0.009719 0.003548 -0.003046 0.000062 -0.001042 0.000884 -0.000043 0.000173 0.000351 0.002740 -0.001492 -0.001418 0.001308 0.001104 0.009788 0.119342 -0.060923 -0.003883 0.022289 -0.022766 0.010788 0.000714 -0.000894 0.000340 -0.001287 -0.070032 -0.013722 0.012451 0.020827 -0.003405 -0.008645 0.001241 -0.035169 0.002174 -0.001102 -0.002948 0.003023 0.003096 -0.000816 -0.000872 -0.002714 -0.000576 0.000701 0.000380 0.000933 0.000539 0.053940 0.248109 -0.144666 0.013950 0.000360 0.003866 0.006810 -0.002979 -0.000831 0.003377 -0.001115 -0.117822 0.019323 0.000429 -0.005751 -0.000339 -0.015688 -0.000738 -0.000636 0.000977 -0.000790 0.001897 -0.002632 0.002822 -0.003230 0.001983 -0.002461 0.001633 -0.004297 -0.000766 0.004035 0.002234 0.042059 -0.178550 -0.186258 -0.001258 0.011842 0.005683 -0.000469 -0.000636 -0.002000 -0.000110 -0.000552 -0.067624 0.1657 -0.4935 0.8538 0.8137 0.5575 0.1644 -0.5571 0.6676 0.4939 -0.0223 -0.0109 0.0331 -2.991 -1.456 4.447 -1.067 -0.52 1.587 -0.998 -0.486 1.483 1 C 13 0.9981 0.0083 -0.0618 -0.015 0.994 -0.1087 0.0606 0.1094 0.9922 -0.1335 0.0653 0.0683 -17.919 8.758 9.161 -6.394 3.125 3.269 -5.977 2.921 3.056 2 C 13 -0.1296 0.9704 0.2039 0.7944 0.2247 -0.5643 0.5934 -0.0888 0.8 -0.0234 -0.0098 0.0333 -3.144 -1.321 4.465 -1.122 -0.471 1.593 -1.049 -0.441 1.489 3 C 13 0.9502 -0.0589 0.3059 0.0228 0.9925 0.1202 -0.3107 -0.1072 0.9445 -0.0062 8.0E-4 0.0054 -0.838 0.11 0.728 -0.299 0.039 0.26 -0.28 0.037 0.243 4 C 13 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-8.0E-4 0.0049 -2.196 -0.42 2.616 -0.784 -0.15 0.933 -0.733 -0.14 0.873 11 H 1 0.6579 0.4349 -0.6148 -0.6081 0.7883 -0.0931 0.4442 0.4352 0.7831 -0.0034 -0.0018 0.0052 -1.827 -0.953 2.78 -0.652 -0.34 0.992 -0.609 -0.318 0.927 12 H 1 0.5132 0.772 0.375 0.854 -0.5029 -0.1334 -0.0856 -0.3887 0.9174 -0.0033 -0.0025 0.0059 -1.783 -1.348 3.131 -0.636 -0.481 1.117 -0.595 -0.45 1.044 13 H 1 -0.472 0.8479 -0.2413 0.8764 0.4809 -0.0243 -0.0955 0.223 0.9701 -0.0034 -0.0025 0.0059 -1.794 -1.327 3.121 -0.64 -0.474 1.114 -0.599 -0.443 1.041 14 H 1 0.7518 0.3485 0.5598 -0.5326 0.8214 0.2041 -0.3887 -0.4516 0.8031 -0.0034 -0.0011 0.0045 -1.82 -0.562 2.382 -0.649 -0.2 0.85 -0.607 -0.187 0.794 15 H 1 0.9415 -0.2895 0.1723 -0.2387 -0.2122 0.9476 0.2378 0.9334 0.2689 -0.0056 1.0E-4 0.0055 -2.973 0.052 2.922 -1.061 0.018 1.043 -0.992 0.017 0.975 16 H 1 0.4614 0.6717 0.5796 0.8656 -0.1975 -0.4602 -0.1947 0.714 -0.6725 -0.0035 -0.0022 0.0057 -1.858 -1.186 3.044 -0.663 -0.423 1.086 -0.62 -0.396 1.015 17 H 1 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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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-MOLSCI-D140-105 FOO 20-Jun-2026 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-581.2192 S2=0.468853 S2-1=0. 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