GRRM 23 January 23, 2023 Saddle wB97XD def2svpp -1 1 1 6 1 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 6 1 8 6 1 1 1 6 1 1 6 1 1 6 8 1 216.148 AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-2.4102,-2.9586,10.8426;-2.741,-1.9304,10.6224;-1.9215,-2.9516,11.8336;-3.3135,-3.5935,10.9157;-1.4674,-3.4727,9.7581;-1.1545,-4.5073,10.0004;-.5472,-2.8636,9.7217;-2.0755,-3.4698,8.3563;-3.0561,-3.9841,8.3724;-1.4006,-4.0035,7.6674;-1.2855,-1.5951,7.1141;-.7994,.3662,5.6073;.2091,-.0847,5.5803;-.6378,1.4372,5.8449;-1.4479,.2664,4.2145;-.8018,.7813,3.4727;-2.4048,.8249,4.2278;-1.7304,-1.1573,3.7264;-2.2467,-1.1103,2.7449;-2.4356,-1.6382,4.4307;-.4884,-2.0405,3.5991;-.0149,-2.1363,4.5912;.245,-1.547,2.9302;-.8076,-3.436,3.0681;-1.289,-3.3953,2.0718;.1038,-4.0546,2.9785;-1.4986,-3.9608,3.7526;-.2475,-2.2387,6.9429;-1.573,-.2694,6.7247;-2.6197,.0388,6.843;-2.3143,-2.1757,7.8708;-.281,.3623,11.4932;-.0657,.7088,12.521;.6601,.4072,10.9185;-.5836,-.6993,11.5479;-1.3708,1.2078,10.8338;-2.2712,1.2049,11.4791;-1.0316,2.2581,10.7656;-1.7569,.7341,9.4254;-2.5749,1.3705,9.0452;-2.1197,-.3063,9.4506;-.5925,.8562,8.4445;-.2378,1.9668,8.0416;.1497,.0186,8.499; -774.607387663999 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001929175066 0.000216391285 0.024282468407 0.008703873562 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.004765511 0.000050612 0.000080697 0.000167043 0.000284542 0.000583774 0.000669970 0.000834719 0.001153686 0.001454800 0.001794447 0.002158122 0.002685294 0.003241245 0.003712641 0.004222055 0.005116774 0.006028292 0.007181679 0.008646265 0.009238130 0.010124059 0.010942472 0.016697568 0.020109070 0.022870262 0.024359520 0.026722078 0.029069881 0.029811573 0.030510722 0.033965266 0.036673089 0.039598515 0.040606656 0.042988756 0.046389962 0.047382810 0.048024561 0.050630789 0.051683922 0.052015042 0.053832321 0.057018799 0.058777109 0.059299384 0.066427149 0.066872753 0.072601942 0.073015591 0.073835622 0.075634460 0.078452425 0.079270910 0.081118173 0.081960575 0.087151266 0.099410384 0.099968765 0.101326244 0.104838941 0.111619936 0.112351369 0.113196136 0.115490457 0.120486795 0.133094202 0.139486021 0.141942122 0.142214811 0.146012701 0.153140669 0.159151428 0.170103468 0.171649471 0.176692023 0.177201452 0.186459184 0.195389112 0.203485023 0.210106731 0.214323315 0.226439646 0.247730907 0.253818642 0.298142631 0.303064251 0.338358279 0.380543130 0.411380201 0.428665043 0.475250692 0.497779644 0.537561235 0.572876196 0.610566926 0.625563689 0.656056302 0.734214320 0.743505204 0.744601145 0.759484422 0.761812950 0.781126800 0.781371667 0.785644567 0.786855021 0.794437742 0.797192277 0.818643366 0.819526771 0.827278033 0.847338630 0.849337783 0.855701177 0.862160929 0.886062004 0.897300838 0.903526280 0.914410362 0.922434247 0.925142273 0.931700874 0.971292996 1.446033863 1.539591592 2 6 1 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 6 1 8 6 1 1 1 6 1 1 6 1 1 6 8 1 216.148 AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-2.4087,-2.9532,10.8492;-2.7397,-1.9253,10.6275;-1.9209,-2.9454,11.8407;-3.3122,-3.5878,10.922;-1.4654,-3.4683,9.7656;-1.1519,-4.5023,10.0096;-.5456,-2.8586,9.7281;-2.0732,-3.4672,8.3636;-3.0512,-3.9874,8.3798;-1.3949,-3.9974,7.6753;-1.2939,-1.5945,7.1095;-.813,.365,5.5987;.1973,-.0823,5.5784;-.6561,1.4365,5.8385;-1.4485,.2677,4.1991;-.7947,.7821,3.4636;-2.4048,.8275,4.2042;-1.7291,-1.1555,3.709;-2.2341,-1.1077,2.7216;-2.4431,-1.6335,4.4064;-.4881,-2.0424,3.5971;-.0256,-2.1376,4.5946;.2538,-1.5528,2.9346;-.8059,-3.4383,3.066;-1.2777,-3.3987,2.0649;.1047,-4.0596,2.9866;-1.5048,-3.9597,3.7451;-.251,-2.2353,6.9443;-1.5946,-.2819,6.7027;-2.6377,.0324,6.8338;-2.3178,-2.175,7.8787;-.2793,.3534,11.5006;-.0696,.6918,12.5323;.6643,.4069,10.9304;-.5782,-.7096,11.5445;-1.3696,1.2012,10.845;-2.2727,1.189,11.4862;-1.0342,2.2535,10.7884;-1.7494,.7391,9.4307;-2.5647,1.3787,9.0508;-2.1119,-.3016,9.4438;-.5788,.8689,8.4613;-.2273,1.9738,8.0512;.1514,.0207,8.488; -774.607303324389 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001508672062 0.000213780357 0.028056777623 0.008706226347 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.003451950 -0.000039488 0.000079513 0.000166292 0.000225069 0.000490923 0.000668091 0.000834067 0.001116811 0.001438917 0.001794524 0.002143463 0.002683157 0.003241365 0.003625843 0.004181160 0.005080534 0.006012786 0.007182160 0.008635101 0.009139667 0.010119184 0.010941115 0.016689040 0.020094173 0.022870515 0.024360387 0.026721568 0.029069928 0.029811390 0.030510559 0.033964577 0.036671954 0.039598244 0.040606225 0.042982384 0.046389933 0.047382877 0.048021652 0.050630544 0.051683969 0.052016008 0.053832143 0.057015891 0.058776995 0.059299231 0.066425995 0.066872515 0.072602217 0.073016391 0.073835829 0.075634652 0.078452862 0.079271663 0.081119597 0.081960260 0.087152478 0.099410380 0.099969893 0.101327782 0.104838892 0.111619879 0.112351573 0.113196500 0.115490435 0.120486750 0.133094167 0.139486703 0.141942224 0.142214719 0.146018710 0.153141363 0.159151997 0.170103853 0.171652399 0.176692325 0.177201974 0.186459637 0.195389064 0.203489711 0.210110512 0.214335790 0.226474920 0.247736289 0.253817729 0.298143081 0.303064742 0.338358071 0.380550444 0.411380297 0.428665772 0.475251959 0.497779627 0.537564943 0.572876676 0.610569320 0.625587572 0.656058075 0.734293577 0.743506247 0.744601546 0.759485147 0.761814290 0.781132974 0.781380263 0.785644864 0.786861353 0.794440965 0.797192742 0.818643441 0.819531300 0.827291571 0.847338582 0.849341631 0.855701271 0.862161232 0.886067463 0.897301687 0.903526416 0.914409821 0.922434876 0.925142268 0.931702626 0.971293135 1.446321593 1.539595428 3 6 1 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 6 1 8 6 1 1 1 6 1 1 6 1 1 6 8 1 216.148 AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-2.4091,-2.9431,10.8578;-2.7426,-1.9162,10.6347;-1.9222,-2.9329,11.8498;-3.311,-3.5798,10.9306;-1.4636,-3.4571,9.7756;-1.1463,-4.4893,10.0224;-.5461,-2.8438,9.7368;-2.0708,-3.462,8.3732;-3.0458,-3.9878,8.3901;-1.3886,-3.9896,7.6867;-1.3017,-1.5922,7.1077;-.8253,.3652,5.5923;.1866,-.0788,5.5778;-.6731,1.437,5.834;-1.4501,.2685,4.1876;-.7901,.7832,3.4579;-2.4063,.8285,4.185;-1.7272,-1.1544,3.6946;-2.2203,-1.1057,2.7011;-2.4502,-1.6308,4.3838;-.4868,-2.044,3.598;-.0365,-2.14,4.6012;.2644,-1.5563,2.9445;-.8015,-3.4392,3.0631;-1.259,-3.3988,2.0553;.1082,-4.0634,2.9971;-1.5118,-3.9581,3.7325;-.2553,-2.2296,6.9463;-1.6111,-.2871,6.6896;-2.6526,.0289,6.8261;-2.3213,-2.1724,7.8851;-.2753,.3364,11.5001;-.0693,.6638,12.5361;.6699,.3986,10.9334;-.5717,-.7278,11.5312;-1.3661,1.1891,10.8514;-2.2694,1.1699,11.4918;-1.0319,2.2422,10.8052;-1.7459,.7397,9.433;-2.5594,1.3842,9.0578;-2.1102,-.3003,9.4369;-.5752,.8743,8.4655;-.2259,1.9783,8.0543;.1491,.0223,8.4772; -774.607304501264 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000340776407 0.000091578828 0.031643042413 0.008702480830 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.003746559 0.000044068 0.000081602 0.000167748 0.000309936 0.000526282 0.000671559 0.000834061 0.001143050 0.001452646 0.001795446 0.002156304 0.002682692 0.003241681 0.003676686 0.004191514 0.005105141 0.006019766 0.007182063 0.008648378 0.009186151 0.010124368 0.010941714 0.016696558 0.020105411 0.022871707 0.024360143 0.026720993 0.029070061 0.029811326 0.030510628 0.033966423 0.036675391 0.039598281 0.040607375 0.042987912 0.046390218 0.047382860 0.048022657 0.050630486 0.051683987 0.052015652 0.053834751 0.057025815 0.058777007 0.059299543 0.066433719 0.066874433 0.072603624 0.073017418 0.073838930 0.075636803 0.078453732 0.079271534 0.081122088 0.081960174 0.087155674 0.099410358 0.099970785 0.101327627 0.104838745 0.111619713 0.112351542 0.113196374 0.115490667 0.120487490 0.133094248 0.139487900 0.141942422 0.142215176 0.146022872 0.153141030 0.159151833 0.170103674 0.171653510 0.176692255 0.177201829 0.186459808 0.195389065 0.203490068 0.210110465 0.214369255 0.226482294 0.247736647 0.253817999 0.298149475 0.303065621 0.338361176 0.380550969 0.411381532 0.428666421 0.475251557 0.497781445 0.537570145 0.572878981 0.610569419 0.625591375 0.656058564 0.734293014 0.743506634 0.744601667 0.759488266 0.761814617 0.781132904 0.781380314 0.785646973 0.786865316 0.794456907 0.797192905 0.818644422 0.819536579 0.827291551 0.847338698 0.849341497 0.855701290 0.862163496 0.886077846 0.897303666 0.903526159 0.914409922 0.922435315 0.925142836 0.931702645 0.971304837 1.446344664 1.539595962 4 6 1 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 6 1 8 6 1 1 1 6 1 1 6 1 1 6 8 1 216.148 AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-2.4176,-2.9299,10.8632;-2.7581,-1.906,10.637;-1.9331,-2.9136,11.8563;-3.3151,-3.5731,10.9356;-1.4658,-3.44,9.7846;-1.1404,-4.4686,10.036;-.5532,-2.8194,9.7456;-2.0697,-3.4551,8.3807;-3.0422,-3.9855,8.398;-1.3833,-3.9829,7.6986;-1.3062,-1.5886,7.1074;-.8317,.3674,5.5897;.1812,-.0744,5.5774;-.6823,1.4398,5.8303;-1.4541,.2675,4.1846;-.7948,.7834,3.4554;-2.4118,.8246,4.1805;-1.7261,-1.1567,3.6927;-2.2155,-1.1104,2.6976;-2.4503,-1.6339,4.3796;-.4836,-2.0436,3.6018;-.0392,-2.1406,4.6074;.2706,-1.553,2.9542;-.7921,-3.4381,3.0616;-1.2409,-3.3963,2.0501;.1186,-4.0611,3.0022;-1.5076,-3.9591,3.7236;-.2576,-2.2236,6.9493;-1.618,-.2856,6.6861;-2.6595,.0301,6.8227;-2.325,-2.1693,7.8852;-.2664,.3145,11.4886;-.0558,.6321,12.5265;.6762,.381,10.9184;-.5633,-.7497,11.511;-1.3596,1.1736,10.8524;-2.2595,1.1509,11.4974;-1.0245,2.2267,10.8119;-1.747,.7348,9.4329;-2.5618,1.3826,9.0657;-2.1121,-.3049,9.4314;-.5804,.8758,8.4615;-.2359,1.982,8.0525;.146,.0256,8.4671; 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