Gaussian 16 GINC-A5 YUMCAO hexane opt TS ES64L-G16RevC.01 11-Aug-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 52 52 115 115 460 (5D, 7F) def2SVPP 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] C1[X(C18H24O8Rh2)] RPBE1PBE def2SVPP FOpt #p opt=gdiis freq scrf=(solvent=dichloromethane,pcm) def2svpp em=gd3bjpbe1pbe 549.9987999999998 0 1 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0197,.3878,-.0905;-2.3183,1.3945,-.8212;-2.0362,2.5423,-.1691;-.8108,-.7818,1.3784;-.0983,-1.6803,1.912;1.1074,-1.9215,1.634;1.9932,-.8038,.188;2.5588,.5728,1.5809;1.7643,1.5071,1.8669;.6283,1.6964,1.3394;1.3615,-2.1448,-1.2026;.2405,-1.9529,-1.7466;-.542,-.9909,-1.4975;2.8334,.3258,-1.2821;2.1251,1.2077,-1.8346;.9175,1.4625,-1.5537;-.2018,-2.9319,-2.7975;-1.2729,-3.103,-2.7162;-.0021,-2.499,-3.7788;.3491,-3.8633,-2.7047;-.7448,-2.5126,2.9834;-.6663,-1.9781,3.9314;-1.7992,-2.6542,2.7576;-.2348,-3.4669,3.08;2.1854,2.4657,2.9454;1.7428,3.4443,2.7786;1.8244,2.0845,3.9019;3.2692,2.5306,2.9892;2.7623,2.0505,-2.9036;2.0739,2.1755,-3.7369;2.967,3.0385,-2.4893;3.6936,1.6031,-3.2376;-3.304,.355,-.4588;-3.9037,-.3611,-1.4963;-3.6547,.03,.8519;-4.8494,-1.3396,-1.2403;-3.615,-.1439,-2.518;-4.6073,-.944,1.11;-3.1467,.4988,1.6807;-5.2134,-1.629,.0677;-5.3029,-1.8781,-2.0628;-4.8647,-1.1792,2.135;-5.9531,-2.3921,.2726;-1.9035,1.2881,-1.8199;-2.6592,2.9642,1.1319;-2.0395,2.6466,1.9749;-2.718,4.0537,1.1708;-3.6589,2.5543,1.2643;-1.1321,3.5739,-.7766;-.3159,3.8083,-.0883;-.7026,3.2466,-1.7189;-1.6992,4.4968,-.9342; g16 Output=Shaw_ipr_p.log nprocshared=16 mem=30GB #p opt=gdiis freq scrf=(solvent=dichloromethane,pcm) def2svpp em=gd3bj 1/18=20,19=11,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=202,11=2,25=1,30=1,70=2201,71=1,72=9,74=-13,124=41/1,2,3 4//1 5/5=2,38=5,53=9/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=11,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=202,11=2,25=1,30=1,70=2205,71=1,72=9,74=-13,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=9/2 7//1,2,3,16 1/18=20,19=11,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 hexane opt TS 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 52 103 12 12 16 12 16 103 16 12 16 16 12 16 16 12 16 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 1 12 1 1 1 12 1 1 1 102.9048000 12.0000000 12.0000000 15.9949146 12.0000000 15.9949146 102.9048000 15.9949146 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 -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 -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/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 1 1 1 1 1 2 2 2 3 3 4 5 5 6 7 7 7 8 9 9 11 12 12 14 15 15 16 17 17 17 21 21 21 25 25 25 29 29 29 33 33 34 34 35 35 36 36 38 38 40 45 45 45 49 49 49 4 7 10 13 16 3 33 44 45 49 5 6 21 7 8 11 14 9 10 25 12 13 17 15 16 29 51 18 19 20 22 23 24 26 27 28 30 31 32 34 35 36 37 38 39 40 41 40 42 43 46 47 48 50 51 52 2.0375 2.3556 2.0438 2.038 2.0431 1.35 1.4777 1.0866 1.5029 1.5002 1.2648 1.2607 1.5028 2.031 2.0384 2.0325 2.0354 1.2594 1.2666 1.5031 1.2607 1.2649 1.5027 1.2588 1.2657 1.5031 2.4156 1.0877 1.0909 1.0861 1.0911 1.0876 1.0863 1.087 1.0911 1.0866 1.088 1.0908 1.0858 1.3959 1.3952 1.3847 1.0837 1.3866 1.0792 1.3882 1.0827 1.3867 1.0827 1.0824 1.0934 1.0918 1.0886 1.0931 1.0861 1.0946 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 4 4 4 7 7 7 10 13 3 3 33 2 2 45 1 4 4 6 5 1 1 1 1 6 6 8 11 7 8 8 10 1 7 11 11 13 1 7 14 14 16 1 1 15 12 12 12 18 18 19 5 5 5 22 22 23 9 9 9 26 26 27 15 15 15 30 30 31 2 2 34 33 33 36 33 33 38 34 34 40 35 35 40 36 36 38 3 3 3 46 46 47 3 3 3 50 50 51 16 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 5 5 6 7 7 7 7 7 7 7 7 8 9 9 9 10 11 12 12 12 13 14 15 15 15 16 16 16 17 17 17 17 17 17 21 21 21 21 21 21 25 25 25 25 25 25 29 29 29 29 29 29 33 33 33 34 34 34 35 35 35 36 36 36 38 38 38 40 40 40 45 45 45 45 45 45 49 49 49 49 49 49 51 7 10 13 10 13 16 16 16 33 44 44 45 49 49 5 6 21 21 7 6 8 11 14 8 11 14 14 9 10 25 25 9 12 13 17 17 12 15 16 29 29 15 51 51 18 19 20 19 20 20 22 23 24 23 24 24 26 27 28 27 28 28 30 31 32 31 32 32 34 35 35 36 37 37 38 39 39 40 41 41 40 42 42 38 43 43 46 47 48 47 48 48 50 51 52 51 52 52 49 87.4892 89.2123 90.5652 88.2951 87.6185 87.6384 91.079 88.7963 128.2486 116.5765 114.2826 124.7662 120.9974 114.0378 119.5548 125.5634 116.8675 117.5613 117.9613 89.4196 88.6406 89.27 89.2337 90.3497 89.3386 90.2434 90.0191 118.7608 125.5968 117.341 117.0503 118.6858 118.1142 125.5086 117.6686 116.8144 119.4672 118.2615 125.483 117.8036 116.7054 119.3833 97.4615 140.6593 109.8828 108.4605 110.4659 108.0518 110.9852 108.9197 108.4893 109.9494 110.365 108.2933 108.6202 111.0509 110.4816 108.2704 110.2734 108.3243 111.0103 108.3924 109.9287 108.502 110.5673 107.7967 110.7585 109.2123 117.7177 124.191 118.082 121.2285 118.9115 119.8595 120.7419 120.1258 119.051 120.0396 119.8062 120.1542 120.4872 119.4799 120.0253 119.3818 120.3019 120.3107 110.5454 109.4708 112.3499 107.0306 108.4992 108.7858 110.0274 112.4852 109.0132 108.4051 107.2559 109.5165 115.369 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A100 A101 A102 A103 A104 A105 A106 A107 4 10 6 8 4 10 6 8 1 1 7 7 1 1 7 7 16 13 14 11 16 13 14 11 7 4 1 1 7 4 1 1 -1 -1 -1 -1 -2 -2 -2 -2 175.1276 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 179.7775 178.6532 177.9106 179.5633 184.0809 180.6252 180.2906 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 7 10 13 4 4 4 4 10 10 10 10 13 13 13 13 16 16 16 16 4 7 16 4 7 16 7 7 10 10 13 13 33 33 44 44 3 3 44 44 2 2 2 49 49 49 2 2 2 45 45 45 1 1 4 21 4 4 4 6 6 6 5 5 5 1 6 14 1 6 14 1 8 11 7 7 8 25 8 8 8 10 10 10 7 7 11 17 11 11 11 13 13 13 7 7 14 14 29 29 14 14 14 16 16 16 1 15 2 2 35 35 2 2 34 34 33 33 37 37 33 33 39 39 34 34 41 41 35 35 42 42 3 50 52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 7 7 7 8 8 9 9 9 9 9 9 9 9 11 11 12 12 12 12 12 12 12 12 14 14 15 15 15 15 15 15 15 15 15 15 16 16 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 38 38 38 38 49 49 49 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 13 13 13 16 16 16 16 16 16 3 3 3 3 33 33 33 33 45 45 45 45 45 45 49 49 49 49 49 49 5 5 6 6 21 21 21 21 21 21 7 7 7 8 8 8 11 11 11 14 14 14 9 9 10 10 25 25 25 25 25 25 12 12 13 13 17 17 17 17 17 17 15 15 16 16 16 16 29 29 29 29 29 29 51 51 34 34 34 34 35 35 35 35 36 36 36 36 38 38 38 38 40 40 40 40 40 40 40 40 51 51 51 5 5 5 6 8 11 14 6 8 11 14 6 8 11 14 6 8 11 14 9 9 9 12 12 12 15 51 15 51 15 51 45 49 45 49 34 35 34 35 46 47 48 46 47 48 50 51 52 50 51 52 6 21 7 7 22 23 24 22 23 24 1 8 11 9 9 9 12 12 12 15 15 15 10 25 1 1 26 27 28 26 27 28 13 17 1 1 18 19 20 18 19 20 16 29 1 51 1 51 30 31 32 30 31 32 49 49 36 37 36 37 38 39 38 39 40 41 40 41 40 42 40 42 38 43 38 43 36 43 36 43 16 16 16 -0.8712 -89.1991 86.7201 0.2661 -90.0975 89.612 179.6408 89.5521 -0.8115 178.8979 -91.0732 -90.4047 179.2318 -1.0588 88.9701 -179.2972 90.3393 -89.9513 0.0776 87.9642 0.4528 -87.1519 -86.0955 1.3679 89.0538 -0.0599 -165.7322 88.1889 -77.4834 -87.7255 106.6022 2.8075 -171.7602 171.2884 -3.2794 149.1737 -31.9659 -19.5272 159.3331 93.2616 -149.0766 -28.1015 -91.8362 25.8256 146.8008 -125.3705 -4.401 117.271 59.5144 -179.5161 -57.8441 1.3794 -179.661 -1.0436 -179.9967 -84.2863 33.9731 156.8162 94.759 -146.9816 -24.1385 0.2369 88.8739 -89.0397 1.4684 -87.9427 90.696 1.1328 90.5607 -88.1005 -0.1235 -88.7607 89.1462 -1.5926 177.1142 0.6218 -178.0884 151.2149 -90.3121 28.1233 -29.9658 88.5072 -153.0573 -0.3763 178.5345 -0.8938 -179.8129 142.5833 -99.504 19.8004 -38.4102 79.5026 -161.193 0.1153 179.0472 -0.0231 157.205 -178.9655 -21.7374 137.5511 -104.7934 14.955 -43.4224 74.2331 -166.0186 38.6311 -121.4829 -179.1799 1.0768 1.8885 -177.8548 178.8808 -4.4283 -2.2627 174.4283 -0.3052 179.7425 179.4357 -0.5166 1.07 -179.9321 -175.656 3.3418 -0.9419 179.9176 179.0102 -0.1303 0.5638 179.7043 -178.4286 0.7119 -69.2934 52.6013 169.3212 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 490 A 460 A 856 490 3600.5107508231 52 1.00e+00 60 F IExCor= 1009 DFT=T Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 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 Berny optimization. local minimum Step number 51 out of a maximum of 307 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00019 0.00114 0.00152 0.00226 0.00461 0.00620 0.00717 0.00726 0.00914 0.01108 0.01318 0.01675 0.01773 0.01970 0.01991 0.02017 0.02076 0.02184 0.02231 0.02237 0.02253 0.02258 0.02267 0.02270 0.02281 0.02315 0.02502 0.02565 0.02774 0.03158 0.03288 0.03475 0.05176 0.05355 0.05838 0.06144 0.06703 0.07183 0.07234 0.07254 0.07282 0.07318 0.07424 0.07506 0.07550 0.07600 0.07613 0.07654 0.07778 0.09550 0.11380 0.11571 0.12982 0.13585 0.14166 0.14396 0.15532 0.15728 0.15893 0.15913 0.15977 0.15984 0.15994 0.15999 0.16000 0.16001 0.16001 0.16006 0.16006 0.16014 0.16020 0.16037 0.16057 0.16129 0.16190 0.16262 0.16337 0.16378 0.16442 0.16582 0.16701 0.16981 0.17947 0.18186 0.18762 0.21713 0.21998 0.22041 0.22690 0.23200 0.23580 0.24082 0.24230 0.24431 0.24526 0.24861 0.24934 0.25020 0.26234 0.27412 0.31865 0.32064 0.32098 0.32123 0.32640 0.33213 0.34160 0.34343 0.34494 0.34668 0.34681 0.34701 0.34725 0.34776 0.34833 0.35024 0.35068 0.35108 0.35136 0.35177 0.35221 0.35228 0.35259 0.35288 0.35518 0.35537 0.35669 0.35696 0.35794 0.36382 0.38857 0.42600 0.42978 0.43465 0.46678 0.47821 0.47879 0.52356 0.55280 0.64577 0.68674 0.70061 0.70144 0.70524 0.75906 0.76362 0.77147 0.77597 0.98850 1.74435 1 2 0.00026892 0.00000012 0.00000096 0.00000095 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 3.86113 4.55251 3.89114 3.87816 3.86947 2.60318 2.77797 2.07140 2.84008 2.83684 2.38964 2.38292 2.83798 3.87056 3.85837 3.85634 3.86958 2.38149 2.38714 2.83834 2.38302 2.38497 2.83800 2.38372 2.38990 2.83851 4.94690 2.08096 2.08620 2.07721 2.08603 2.08127 2.07686 2.08050 2.08634 2.07715 2.07917 2.08695 2.07781 2.66079 2.65807 2.62879 2.06597 2.63303 2.05498 2.63758 2.06797 2.63649 2.06804 2.06764 2.07775 2.07981 2.09157 2.08377 2.07863 2.09308 1.52526 1.55965 1.58938 1.50816 1.50372 1.53200 1.57926 1.54396 2.29773 2.00350 1.96277 2.18460 2.07969 2.00055 2.09474 2.18846 2.03365 2.06093 2.08062 1.53564 1.55173 1.55537 1.52987 1.57319 1.56232 1.57137 1.57368 2.07391 2.18682 2.05845 2.03770 2.10408 2.06714 2.18602 2.06159 2.03540 2.11192 2.08789 2.19065 2.05255 2.03962 2.08431 1.57418 2.55165 1.91769 1.89841 1.93414 1.88027 1.93082 1.90133 1.89936 1.91715 1.93519 1.87886 1.90373 1.92838 1.92260 1.89694 1.93387 1.87960 1.92873 1.90087 1.92817 1.89366 1.93168 1.88450 1.93094 1.89354 2.03493 2.19766 2.05047 2.12356 2.07296 2.08662 2.11021 2.10588 2.06706 2.09442 2.09015 2.09861 2.10676 2.08188 2.09454 2.08090 2.10161 2.10067 1.95966 1.92159 1.92107 1.88308 1.89213 1.88428 1.92917 1.96242 1.89653 1.90166 1.87330 1.89842 1.84956 3.05725 3.14904 3.06551 3.10710 3.13899 3.27180 3.14601 3.14647 -0.01045 -1.51905 1.49234 0.00629 -1.56757 1.56914 -3.13972 1.56877 -0.00509 3.13162 -1.57725 -1.58622 3.12311 -0.02336 1.55096 -3.13271 1.57662 -1.56985 0.00447 1.52639 0.00053 -1.53086 -1.49451 0.02939 1.56309 -0.00982 -2.85343 1.49797 -1.34565 -1.51450 1.92507 0.10075 -2.82472 3.01365 0.08818 3.01825 -0.10559 0.10124 -3.02260 0.86861 2.96703 -1.24095 -2.48047 -0.38204 1.69316 -2.34398 -0.21461 1.88783 0.99166 3.12103 -1.05971 0.01027 3.13263 -0.00246 -3.12455 -1.27984 0.77302 2.90942 1.84398 -2.38634 -0.24994 -0.00459 1.54704 -1.56025 0.01160 -1.52399 1.54145 0.02662 1.56238 -1.50320 -0.00083 -1.55252 1.55441 -0.01506 3.10358 0.00895 -3.10993 2.43532 -1.79240 0.29566 -0.72725 1.32821 -2.86692 -0.01144 3.10959 -0.01752 -3.13883 2.43130 -1.79756 0.29216 -0.72908 1.32525 -2.86821 -0.00707 3.10457 0.01255 2.59822 -3.09928 -0.51362 2.56964 -1.65089 0.42483 -0.59929 1.46337 -2.74409 0.62433 -2.03964 -3.13368 0.01835 -0.00829 -3.13944 3.13360 -0.01732 0.00989 -3.14102 -0.00011 -3.13935 3.13096 -0.00827 -0.00320 3.13871 -3.13568 0.00624 0.00707 -3.13896 -3.13688 0.00026 -0.00546 3.14058 3.13581 -0.00134 -1.13305 1.01186 3.04879 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00003 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00004 0.00003 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00003 0.00002 0.00002 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00001 0.00000 -0.00002 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00005 0.00004 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00005 0.00003 0.00003 -0.00002 -0.00000 -0.00000 -0.00005 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00041 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00000 0.00002 0.00000 -0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00004 0.00001 -0.00003 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00005 0.00017 -0.00001 -0.00000 -0.00001 0.00004 0.00002 -0.00004 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00002 -0.00003 -0.00001 0.00000 -0.00017 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00017 0.00017 0.00016 -0.00010 -0.00008 -0.00006 -0.00010 -0.00013 -0.00011 -0.00009 -0.00012 -0.00012 -0.00010 -0.00008 -0.00011 -0.00012 -0.00010 -0.00007 -0.00011 0.00016 0.00016 0.00015 0.00011 0.00012 0.00012 0.00015 -0.00012 0.00015 -0.00012 0.00016 -0.00012 -0.00004 -0.00004 0.00001 0.00000 0.00020 0.00019 0.00016 0.00015 -0.00022 -0.00022 -0.00021 -0.00022 -0.00021 -0.00020 0.00016 0.00013 0.00016 0.00015 0.00013 0.00015 -0.00016 -0.00014 0.00003 0.00001 0.00006 0.00005 0.00005 0.00007 0.00007 0.00007 0.00008 0.00008 0.00008 0.00010 0.00010 0.00011 0.00008 0.00008 0.00007 0.00010 0.00011 0.00011 -0.00001 0.00002 -0.00012 -0.00016 -0.00013 -0.00012 -0.00012 -0.00010 -0.00009 -0.00009 -0.00001 -0.00004 -0.00009 -0.00006 0.00077 0.00081 0.00075 0.00074 0.00078 0.00072 -0.00001 0.00002 -0.00012 0.00028 -0.00015 0.00025 -0.00010 -0.00011 -0.00010 -0.00007 -0.00008 -0.00007 0.00018 -0.00016 -0.00003 -0.00001 -0.00002 -0.00000 0.00004 0.00009 0.00002 0.00008 -0.00000 0.00002 -0.00001 0.00001 -0.00001 0.00002 -0.00006 -0.00003 0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00004 -0.00004 -0.00016 -0.00017 -0.00019 -0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00004 0.00002 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00002 0.00002 0.00001 -0.00002 -0.00001 0.00003 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00003 -0.00001 0.00003 -0.00000 -0.00001 0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 0.00010 0.00010 0.00010 -0.00008 -0.00007 -0.00006 -0.00007 -0.00008 -0.00007 -0.00006 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 0.00010 0.00010 0.00010 0.00008 0.00008 0.00008 0.00008 0.00001 0.00008 0.00002 0.00008 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00002 -0.00003 0.00001 -0.00003 -0.00002 0.00001 -0.00002 -0.00008 -0.00010 -0.00002 0.00000 -0.00026 -0.00024 -0.00024 -0.00027 -0.00026 -0.00025 0.00008 0.00007 0.00007 0.00006 0.00006 0.00006 0.00006 0.00007 0.00007 0.00004 0.00005 0.00005 0.00000 0.00001 -0.00009 -0.00010 -0.00045 -0.00047 -0.00042 -0.00044 -0.00046 -0.00041 -0.00002 -0.00004 -0.00005 -0.00003 0.00006 0.00006 0.00004 0.00004 0.00005 0.00003 0.00001 -0.00002 -0.00007 0.00002 -0.00004 0.00005 0.00007 0.00008 0.00007 0.00004 0.00005 0.00004 0.00001 -0.00006 0.00001 0.00000 0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 0.00001 -0.00002 0.00001 -0.00002 0.00003 -0.00000 0.00002 -0.00001 -0.00000 -0.00002 0.00003 0.00001 -0.00001 0.00000 0.00001 0.00003 -0.00001 0.00001 0.00002 -0.00002 -0.00001 0.00000 -0.00003 0.00002 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00044 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00001 0.00001 0.00003 -0.00002 0.00003 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00003 0.00005 0.00001 -0.00004 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00006 0.00022 0.00001 -0.00001 -0.00001 0.00004 0.00002 -0.00005 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00002 0.00002 0.00000 -0.00001 -0.00002 0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00015 0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00027 0.00026 0.00026 -0.00018 -0.00015 -0.00013 -0.00016 -0.00020 -0.00018 -0.00015 -0.00019 -0.00019 -0.00016 -0.00014 -0.00018 -0.00017 -0.00015 -0.00012 -0.00016 0.00026 0.00026 0.00025 0.00019 0.00019 0.00020 0.00023 -0.00011 0.00024 -0.00010 0.00024 -0.00010 -0.00005 -0.00005 -0.00000 -0.00000 0.00022 0.00021 0.00017 0.00016 -0.00022 -0.00020 -0.00022 -0.00021 -0.00020 -0.00022 0.00013 0.00014 0.00013 0.00013 0.00014 0.00013 -0.00024 -0.00024 0.00001 0.00002 -0.00020 -0.00019 -0.00018 -0.00020 -0.00020 -0.00019 0.00016 0.00015 0.00015 0.00017 0.00016 0.00016 0.00014 0.00014 0.00014 0.00014 0.00015 0.00015 -0.00001 0.00003 -0.00021 -0.00025 -0.00058 -0.00059 -0.00055 -0.00054 -0.00056 -0.00051 -0.00003 -0.00008 -0.00014 -0.00009 0.00083 0.00087 0.00080 0.00078 0.00082 0.00075 -0.00000 0.00000 -0.00019 0.00029 -0.00020 0.00029 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 0.00018 -0.00022 -0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00007 0.00000 0.00006 0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00002 -0.00005 -0.00004 0.00001 -0.00001 0.00001 -0.00000 -0.00002 -0.00000 -0.00002 -0.00001 -0.00017 -0.00016 -0.00017 3.86111 4.55250 3.89114 3.87813 3.86948 2.60318 2.77797 2.07140 2.84008 2.83683 2.38964 2.38293 2.83797 3.87054 3.85836 3.85634 3.86958 2.38149 2.38714 2.83835 2.38303 2.38497 2.83800 2.38372 2.38990 2.83851 4.94733 2.08095 2.08620 2.07722 2.08603 2.08127 2.07686 2.08051 2.08633 2.07715 2.07917 2.08695 2.07781 2.66079 2.65807 2.62879 2.06597 2.63303 2.05498 2.63758 2.06797 2.63649 2.06804 2.06764 2.07775 2.07981 2.09157 2.08377 2.07863 2.09308 1.52526 1.55963 1.58939 1.50817 1.50371 1.53200 1.57929 1.54394 2.29775 2.00349 1.96277 2.18461 2.07968 2.00055 2.09474 2.18845 2.03365 2.06092 2.08062 1.53564 1.55172 1.55538 1.52987 1.57316 1.56238 1.57138 1.57365 2.07392 2.18682 2.05846 2.03770 2.10407 2.06713 2.18601 2.06160 2.03540 2.11194 2.08789 2.19066 2.05255 2.03962 2.08430 1.57412 2.55187 1.91770 1.89840 1.93413 1.88031 1.93084 1.90129 1.89935 1.91716 1.93520 1.87886 1.90372 1.92839 1.92257 1.89696 1.93387 1.87959 1.92872 1.90089 1.92817 1.89366 1.93167 1.88449 1.93094 1.89354 2.03492 2.19767 2.05046 2.12356 2.07296 2.08661 2.11021 2.10588 2.06706 2.09442 2.09015 2.09861 2.10676 2.08189 2.09454 2.08090 2.10161 2.10067 1.95966 1.92160 1.92106 1.88309 1.89214 1.88427 1.92918 1.96240 1.89654 1.90167 1.87329 1.89841 1.84941 3.05726 3.14902 3.06551 3.10709 3.13899 3.27180 3.14599 3.14644 -0.01018 -1.51879 1.49260 0.00611 -1.56772 1.56902 -3.13989 1.56856 -0.00527 3.13147 -1.57743 -1.58641 3.12294 -0.02350 1.55078 -3.13288 1.57647 -1.56997 0.00431 1.52665 0.00079 -1.53060 -1.49432 0.02958 1.56329 -0.00958 -2.85354 1.49821 -1.34575 -1.51426 1.92496 0.10070 -2.82477 3.01365 0.08817 3.01847 -0.10538 0.10142 -3.02244 0.86839 2.96683 -1.24117 -2.48069 -0.38225 1.69294 -2.34385 -0.21447 1.88797 0.99179 3.12117 -1.05958 0.01003 3.13239 -0.00245 -3.12453 -1.28004 0.77283 2.90924 1.84378 -2.38653 -0.25012 -0.00443 1.54719 -1.56009 0.01177 -1.52383 1.54162 0.02676 1.56253 -1.50306 -0.00069 -1.55237 1.55456 -0.01507 3.10361 0.00874 -3.11018 2.43474 -1.79300 0.29511 -0.72779 1.32766 -2.86743 -0.01147 3.10951 -0.01767 -3.13892 2.43212 -1.79669 0.29296 -0.72830 1.32607 -2.86746 -0.00707 3.10457 0.01236 2.59851 -3.09948 -0.51333 2.56960 -1.65093 0.42480 -0.59932 1.46334 -2.74412 0.62452 -2.03985 -3.13370 0.01834 -0.00830 -3.13944 3.13361 -0.01725 0.00989 -3.14096 -0.00010 -3.13935 3.13096 -0.00828 -0.00319 3.13873 -3.13572 0.00620 0.00708 -3.13897 -3.13687 0.00026 -0.00548 3.14058 3.13578 -0.00135 -1.13322 1.01170 3.04861 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000054 0.000008 0.001702 0.000269 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.371835e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 1 1 1 1 1 2 2 2 3 3 4 5 5 6 7 7 7 8 9 9 11 12 12 14 15 15 16 17 17 17 21 21 21 25 25 25 29 29 29 33 33 34 34 35 35 36 36 38 38 40 45 45 45 49 49 49 4 7 10 13 16 3 33 44 45 49 5 6 21 7 8 11 14 9 10 25 12 13 17 15 16 29 51 18 19 20 22 23 24 26 27 28 30 31 32 34 35 36 37 38 39 40 41 40 42 43 46 47 48 50 51 52 2.0432 2.4091 2.0591 2.0522 2.0476 1.3775 1.47 1.0961 1.5029 1.5012 1.2645 1.261 1.5018 2.0482 2.0418 2.0407 2.0477 1.2602 1.2632 1.502 1.261 1.2621 1.5018 1.2614 1.2647 1.5021 2.6178 1.1012 1.104 1.0992 1.1039 1.1014 1.099 1.101 1.104 1.0992 1.1003 1.1044 1.0995 1.408 1.4066 1.3911 1.0933 1.3933 1.0874 1.3957 1.0943 1.3952 1.0944 1.0941 1.0995 1.1006 1.1068 1.1027 1.1 1.1076 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 4 4 4 7 7 7 10 13 3 3 33 2 2 45 1 4 4 6 5 1 1 1 1 6 6 8 11 7 8 8 10 1 7 11 11 13 1 7 14 14 16 1 1 15 12 12 12 18 18 19 5 5 5 22 22 23 9 9 9 26 26 27 15 15 15 30 30 31 2 2 34 33 33 36 33 33 38 34 34 40 35 35 40 36 36 38 3 3 3 46 46 47 3 3 3 50 50 51 16 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 5 5 6 7 7 7 7 7 7 7 7 8 9 9 9 10 11 12 12 12 13 14 15 15 15 16 16 16 17 17 17 17 17 17 21 21 21 21 21 21 25 25 25 25 25 25 29 29 29 29 29 29 33 33 33 34 34 34 35 35 35 36 36 36 38 38 38 40 40 40 45 45 45 45 45 45 49 49 49 49 49 49 51 7 10 13 10 13 16 16 16 33 44 44 45 49 49 5 6 21 21 7 6 8 11 14 8 11 14 14 9 10 25 25 9 12 13 17 17 12 15 16 29 29 15 51 51 18 19 20 19 20 20 22 23 24 23 24 24 26 27 28 27 28 28 30 31 32 31 32 32 34 35 35 36 37 37 38 39 39 40 41 41 40 42 42 38 43 43 46 47 48 47 48 48 50 51 52 51 52 52 49 87.3908 89.3616 91.0649 86.4112 86.1566 87.777 90.4847 88.4624 131.65 114.7921 112.4586 125.1685 119.1572 114.6231 120.0197 125.3893 116.5196 118.0823 119.211 87.9858 88.9074 89.1161 87.6551 90.1369 89.5144 90.0329 90.1653 118.8262 125.2955 117.9407 116.7515 120.5548 118.4386 125.2497 118.1207 116.6199 121.0043 119.6273 125.5151 117.6027 116.8614 119.4221 90.1938 146.199 109.8753 108.7708 110.8183 107.7317 110.6279 108.9384 108.8253 109.8449 110.8785 107.6505 109.0755 110.4883 110.1567 108.6864 110.8024 107.6932 110.5083 108.9118 110.4759 108.4985 110.677 107.9737 110.6346 108.492 116.593 125.9166 117.483 121.6712 118.7718 119.5543 120.906 120.658 118.4339 120.0014 119.7569 120.2416 120.7086 119.2832 120.0082 119.2267 120.4135 120.3593 112.2802 110.0992 110.0692 107.8926 108.4113 107.9611 110.5334 112.4382 108.663 108.957 107.3321 108.7714 105.9721 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A100 A101 A102 A103 A104 A105 A106 4 10 6 8 4 10 6 1 1 7 7 1 1 7 16 13 14 11 16 13 14 7 4 1 1 7 4 1 -1 -1 -1 -1 -2 -2 -2 175.1677 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 180.4265 175.6409 178.0235 179.851 187.4603 180.2532 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 7 10 13 4 4 4 4 10 10 10 10 13 13 13 13 16 16 16 16 4 7 16 4 7 16 7 7 10 10 13 13 33 33 44 44 3 3 44 44 2 2 2 49 49 49 2 2 2 45 45 45 1 1 4 21 4 4 4 6 6 6 5 5 5 1 6 14 1 6 14 1 8 11 7 7 8 25 8 8 8 10 10 10 7 7 11 17 11 11 11 13 13 13 7 7 14 14 29 29 14 14 14 16 16 16 1 15 2 2 35 35 2 2 34 34 33 33 37 37 33 33 39 39 34 34 41 41 35 35 42 42 3 50 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 7 7 7 8 8 9 9 9 9 9 9 9 9 11 11 12 12 12 12 12 12 12 12 14 14 15 15 15 15 15 15 15 15 15 15 16 16 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 38 38 38 38 49 49 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 13 13 13 16 16 16 16 16 16 3 3 3 3 33 33 33 33 45 45 45 45 45 45 49 49 49 49 49 49 5 5 6 6 21 21 21 21 21 21 7 7 7 8 8 8 11 11 11 14 14 14 9 9 10 10 25 25 25 25 25 25 12 12 13 13 17 17 17 17 17 17 15 15 16 16 16 16 29 29 29 29 29 29 51 51 34 34 34 34 35 35 35 35 36 36 36 36 38 38 38 38 40 40 40 40 40 40 40 40 51 51 5 5 5 6 8 11 14 6 8 11 14 6 8 11 14 6 8 11 14 9 9 9 12 12 12 15 51 15 51 15 51 45 49 45 49 34 35 34 35 46 47 48 46 47 48 50 51 52 50 51 52 6 21 7 7 22 23 24 22 23 24 1 8 11 9 9 9 12 12 12 15 15 15 10 25 1 1 26 27 28 26 27 28 13 17 1 1 18 19 20 18 19 20 16 29 1 51 1 51 30 31 32 30 31 32 49 49 36 37 36 37 38 39 38 39 40 41 40 41 40 42 40 42 38 43 38 43 36 43 36 43 16 16 -0.5987 -87.0351 85.5046 0.3602 -89.8153 89.9054 -179.893 89.8837 -0.2918 179.4288 -90.3695 -90.8836 178.9409 -1.3385 88.8632 -179.4908 90.3337 -89.9457 0.256 87.4559 0.0304 -87.7117 -85.6291 1.6838 89.5583 -0.5624 -163.4897 85.8272 -77.1002 -86.7745 110.2981 5.7725 -161.8448 172.6694 5.0522 172.9332 -6.0499 5.8008 -173.1823 49.7676 169.9985 -71.1012 -142.1205 -21.8895 97.0108 -134.3004 -12.2962 108.1649 56.8177 178.822 -60.717 0.5881 179.4863 -0.141 -179.0236 -73.3295 44.291 166.6977 105.6524 -136.7271 -14.3204 -0.263 88.6389 -89.3956 0.6647 -87.3182 88.3187 1.525 89.5181 -86.1272 -0.0477 -88.9528 89.0609 -0.8628 177.8221 0.5131 -178.1858 139.5337 -102.697 16.9399 -41.6684 76.101 -164.2622 -0.6556 178.1662 -1.004 -179.8417 139.3031 -102.9928 16.7397 -41.7731 75.931 -164.3365 -0.4048 177.8788 0.7191 148.8668 -177.5759 -29.4282 147.2293 -94.5892 24.3412 -34.3367 83.8448 -157.2248 35.7717 -116.8625 -179.5465 1.0516 -0.4748 -179.8767 179.5418 -0.9922 0.5668 -179.9672 -0.0063 -179.8715 179.391 -0.4741 -0.1835 179.8351 -179.6612 0.3574 0.4054 -179.8494 -179.7302 0.0151 -0.3128 179.9418 179.6686 -0.0768 -64.9189 57.9754 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0 1 Grimme-D3(BJ) -0.0696572645 PCM UFF Total charges None On-the-fly selection Dichloromethane 8.930000 2.028346 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1061,.3268,-.1386;-2.066,1.4735,-1.0321;-1.6488,2.6643,-.5521;-.8046,-.5161,1.4774;-.197,-1.4027,2.144;.971,-1.8192,1.9165;1.9699,-1.0349,.3316;2.7001,.4565,1.5139;2.0206,1.5079,1.652;.9105,1.7473,1.091;1.1782,-2.4833,-.8542;.0831,-2.2455,-1.4318;-.5814,-1.1737,-1.3341;2.9248,-.2371,-1.2792;2.3192,.6299,-1.962;1.151,1.0605,-1.7337;-.4763,-3.3103,-2.3326;-1.5594,-3.3432,-2.2381;-.2347,-3.0517,-3.3645;-.036,-4.2752,-2.099;-.9278,-1.9891,3.3189;-.7817,-1.3341,4.1793;-1.9931,-2.0399,3.1056;-.5307,-2.9713,3.5593;2.5569,2.5591,2.583;2.2291,3.5471,2.2703;2.1609,2.3662,3.5812;3.6412,2.5045,2.6278;3.0421,1.2281,-3.1362;2.367,1.308,-3.9857;3.3623,2.2359,-2.8688;3.9132,.6323,-3.3917;-3.1625,.6188,-.5316;-3.8479,-.1677,-1.4592;-3.5394,.5318,.8089;-4.8984,-.9827,-1.0725;-3.5431,-.1371,-2.4987;-4.5962,-.2776,1.197;-2.975,1.0553,1.5653;-5.2844,-1.0335,.26;-5.4167,-1.5799,-1.812;-4.872,-.3289,2.2427;-6.1058,-1.668,.5668;-1.673,1.1749,-2.0002;-2.2101,3.3411,.6668;-1.6254,3.0812,1.5534;-2.1425,4.424,.5453;-3.2494,3.0728,.8476;-.6359,3.4847,-1.2947;.2066,3.7219,-.6398;-.2535,2.9757,-2.1746;-1.0937,4.4337,-1.5913; 0.2059240 0.1322244 0.1237026 -19.23277 -19.23250 -19.23217 -19.23202 -19.23199 -19.23008 -19.23006 -19.22971 -10.36738 -10.36690 -10.36615 -10.36605 -10.26645 -10.24561 -10.23933 -10.23246 -10.23211 -10.23173 -10.23159 -10.23077 -10.23011 -10.22984 -10.22895 -10.22888 -10.22215 -10.21690 -3.30249 -3.29052 -2.04660 -2.04604 -2.04541 -2.03642 -2.03637 -2.01561 -1.11861 -1.11195 -1.11137 -1.11110 -1.02586 -1.02025 -1.01834 -1.01821 -0.88423 -0.84223 -0.77778 -0.76483 -0.76330 -0.76273 -0.76105 -0.76094 -0.71388 -0.69998 -0.62357 -0.61320 -0.59250 -0.58328 -0.56993 -0.56926 -0.55707 -0.54950 -0.54108 -0.52171 -0.51432 -0.51161 -0.51031 -0.50339 -0.50257 -0.50025 -0.49159 -0.48849 -0.48802 -0.48428 -0.47976 -0.47787 -0.45603 -0.45097 -0.44645 -0.43312 -0.42521 -0.42473 -0.42409 -0.42354 -0.41883 -0.40650 -0.40525 -0.40343 -0.39707 -0.39526 -0.39452 -0.39074 -0.38775 -0.37606 -0.37288 -0.37063 -0.35397 -0.34821 -0.34485 -0.34407 -0.34388 -0.34072 -0.33794 -0.33784 -0.33439 -0.32413 -0.32306 -0.31555 -0.29327 -0.29078 -0.28966 -0.27734 -0.26654 -0.23904 -0.23267 -0.23158 -0.22985 -0.08210 -0.04012 -0.02761 -0.02493 -0.00083 0.00725 0.00839 0.01550 0.02248 0.03315 0.04790 0.05492 0.06140 0.06464 0.08054 0.09066 0.09498 0.10117 0.11424 0.12283 0.12577 0.13025 0.13255 0.13541 0.14132 0.14449 0.14634 0.14762 0.14792 0.15058 0.15566 0.15764 0.16095 0.16512 0.17048 0.17367 0.17774 0.18125 0.18612 0.19246 0.19476 0.20755 0.21220 0.21922 0.22637 0.23164 0.23296 0.23585 0.24248 0.25673 0.26466 0.28313 0.30662 0.32037 0.32227 0.32419 0.33204 0.33969 0.35386 0.35758 0.37672 0.37881 0.38226 0.38511 0.39249 0.39900 0.41078 0.41594 0.42118 0.42223 0.42823 0.43696 0.43880 0.44552 0.44761 0.45468 0.45937 0.47431 0.47549 0.48053 0.48486 0.48874 0.49558 0.49926 0.51294 0.51731 0.52416 0.53010 0.53110 0.53969 0.53977 0.54789 0.55244 0.55664 0.55962 0.56489 0.56572 0.56706 0.57045 0.58608 0.59580 0.60192 0.61735 0.61944 0.62349 0.62751 0.63119 0.63716 0.64482 0.64862 0.65223 0.65820 0.66179 0.66512 0.67072 0.67619 0.68396 0.69285 0.69801 0.69992 0.70082 0.70667 0.71332 0.71432 0.71719 0.71832 0.72103 0.72358 0.72760 0.73162 0.73534 0.73645 0.73861 0.74184 0.74370 0.74726 0.74823 0.75107 0.75802 0.76002 0.76442 0.76952 0.78008 0.78293 0.79197 0.79810 0.80096 0.80436 0.80628 0.81347 0.81926 0.83069 0.84090 0.84464 0.85159 0.85291 0.86088 0.86689 0.87515 0.89265 0.90400 0.91786 0.92836 0.93806 0.96613 0.97114 1.01957 1.02493 1.03768 1.05181 1.06075 1.09319 1.09444 1.10092 1.11228 1.13105 1.14178 1.15361 1.16388 1.16790 1.18297 1.20060 1.20748 1.21505 1.22825 1.24448 1.25376 1.26403 1.27682 1.28652 1.30576 1.31048 1.31646 1.33176 1.34653 1.35448 1.37548 1.38978 1.42468 1.43148 1.44247 1.44748 1.46468 1.47265 1.48822 1.49434 1.50654 1.51224 1.51768 1.52577 1.53138 1.54110 1.55283 1.58363 1.60101 1.60337 1.60424 1.61611 1.62603 1.62982 1.64068 1.64517 1.67433 1.70448 1.74560 1.75696 1.76855 1.78686 1.78800 1.80040 1.80691 1.81317 1.82851 1.82995 1.83422 1.83613 1.84582 1.86603 1.87225 1.88849 1.89729 1.91871 1.93255 1.95623 1.96304 1.98652 1.99341 2.00543 2.00897 2.02304 2.03318 2.04039 2.08784 2.08973 2.09926 2.10358 2.10548 2.10707 2.11680 2.12360 2.13676 2.14226 2.15091 2.15723 2.17634 2.19156 2.20490 2.20592 2.21178 2.22814 2.23300 2.25155 2.26680 2.27415 2.27695 2.29900 2.31045 2.31867 2.32548 2.33715 2.35881 2.37200 2.41659 2.43242 2.43335 2.43967 2.46303 2.48730 2.49305 2.53289 2.53367 2.55331 2.60619 2.60974 2.62050 2.62119 2.62623 2.65037 2.66151 2.66925 2.67397 2.69943 2.72176 2.73452 2.75642 2.75942 2.77199 2.77506 2.78603 2.78820 2.82760 2.82963 2.83534 2.86791 2.89910 2.91197 2.95287 2.95928 2.96151 2.96772 2.98840 3.07773 3.07827 3.08511 3.09572 3.17727 3.18358 3.19366 3.19450 3.19598 3.36467 3.36704 3.37205 3.40132 3.42912 3.57153 3.57302 3.57413 3.58144 3.65544 3.65784 3.66580 3.66986 48.69896 48.86791 1-A. -0.9660 2.2245 0.0002 2.4252 -191.9155 -176.7930 -169.3187 13.5833 -5.4304 4.1222 -12.5731 2.5494 10.0237 13.5833 -5.4304 4.1222 148.0327 -20.2367 18.5497 42.1407 -20.4590 5.3132 50.3212 -18.3918 0.8624 -0.9390 -6763.8872 -3449.2591 -2771.8766 175.7926 -55.4212 -49.8405 34.3576 -38.4812 10.3581 -1658.7771 -1520.3886 -1026.8074 8.5078 27.2874 64.3929 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1545,.4594,-.2044;-1.5807,1.544,-1.2493;-.8766,2.6321,-.8142;-.7817,.2867,1.6019;-.4063,-.5978,2.4218;.5467,-1.406,2.2372;1.5734,-1.3315,.4743;2.8398,.0678,1.2636;2.533,1.29,1.1971;1.4922,1.7539,.6478;.2325,-2.6368,-.3394;-.7987,-2.1774,-.905;-1.087,-.9519,-1.011;2.5302,-1.1834,-1.3292;2.1477,-.3089,-2.1548;1.1935,.4965,-1.9601;-1.7516,-3.1561,-1.5308;-2.7878,-2.8186,-1.3822;-1.5576,-3.1908,-2.6162;-1.6045,-4.1608,-1.1118;-1.1389,-.6657,3.732;-.6952,.072,4.422;-2.1972,-.4053,3.5861;-1.0394,-1.6653,4.1771;3.4591,2.2761,1.8511;3.4119,3.2467,1.3376;3.1329,2.4209,2.8953;4.4871,1.8879,1.8607;2.8922,-.1857,-3.4543;2.1812,-.05,-4.2828;3.5318,.7118,-3.41;3.5224,-1.0686,-3.6262;-2.7441,.8724,-.6365;-3.6785,.2771,-1.5029;-2.9688,.7639,.7467;-4.8141,-.3649,-1.0143;-3.5027,.3213,-2.5818;-4.1068,.1241,1.2373;-2.2253,1.1311,1.4526;-5.0384,-.4368,.3622;-5.527,-.8146,-1.7117;-4.2583,.0508,2.3184;-5.9281,-.9404,.7511;-1.3848,1.2266,-2.2799;-1.1172,3.3607,.4769;-.4729,2.9528,1.2764;-.8503,4.4236,.3598;-2.1637,3.294,.8085;.1715,3.2513,-1.6928;1.1274,3.305,-1.1426;.326,2.6245,-2.5778;-.1078,4.2829,-1.9749; 0.2151223 0.1432029 0.1379289 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2338,.2936,.4795;-1.7931,1.5422,1.1333;-.9297,1.3293,2.1872;-.2759,-1.6002,1.0586;.1835,-2.5959,.4341;.9823,-2.5347,-.5445;1.5931,-.7042,-1.2323;3.1346,-.7084,.1201;2.9459,-.2759,1.2924;1.8587,.2012,1.7253;-.0357,-.6445,-2.4694;-1.1189,-.1512,-2.0442;-1.2959,.3188,-.8859;2.1162,1.1942,-1.8187;1.6492,2.1896,-1.1948;.8485,2.1062,-.2224;-2.2831,-.0832,-2.9912;-3.2264,-.2909,-2.4482;-2.3464,.947,-3.4041;-2.1488,-.795,-3.8283;-.2282,-3.9556,.9235;.4413,-4.2506,1.7606;-1.2665,-3.9239,1.3086;-.1322,-4.706,.115;4.0883,-.368,2.2635;4.0213,.4401,3.0178;4.0243,-1.344,2.7924;5.0568,-.3256,1.7279;2.0972,3.5644,-1.6028;1.2315,4.2567,-1.6142;2.8215,3.9416,-.8489;2.5877,3.5401,-2.5948;-2.9539,.7542,.6759;-4.0278,1.465,.0928;-3.061,-.6525,.751;-5.1782,.8096,-.358;-3.9511,2.559,-.0063;-4.2122,-1.3097,.2996;-2.2177,-1.2513,1.1119;-5.2794,-.5847,-.2491;-6.0015,1.3915,-.8025;-4.2686,-2.4082,.3659;-6.1824,-1.1064,-.6045;-1.7432,2.5428,.6731;-.9441,.1387,3.1014;-.259,-.6511,2.7207;-.5749,.4291,4.1062;-1.9545,-.3023,3.2086;.0751,2.3869,2.545;1.0898,1.9327,2.5658;.0639,3.1426,1.743;-.1175,2.8277,3.5483; 0.2240968 0.1353124 0.1332712 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2235,.4359,.2929;-1.9311,1.848,.3197;-1.1354,2.1768,1.3893;-.284,-1.0673,1.5805;.2359,-2.2104,1.4501;1.0948,-2.5243,.5776;1.7051,-1.1133,-.771;3.1589,-.4919,.5309;2.8857,.3783,1.4043;1.7636,.9438,1.5444;.1659,-1.6512,-2.0028;-.9517,-1.0757,-1.8769;-1.2146,-.1756,-1.0309;2.231,.3824,-2.0714;1.7026,1.5229,-1.9466;.8423,1.8205,-1.0709;-2.0531,-1.4624,-2.8226;-3.0211,-1.4689,-2.292;-2.1108,-.7039,-3.6275;-1.8492,-2.4468,-3.2757;-.1811,-3.2643,2.4366;.4352,-3.1575,3.3505;-1.239,-3.1231,2.7176;-.0175,-4.2718,2.0189;3.966,.7495,2.3802;3.8351,1.7899,2.7231;3.8881,.0816,3.2604;4.9611,.609,1.9253;2.1437,2.6182,-2.8758;1.268,3.1971,-3.2184;2.8073,3.3084,-2.3199;2.6943,2.203,-3.7361;-3.0806,.9251,.2431;-4.1055,1.2434,-.6716;-3.2156,-.259,.9949;-5.2386,.4392,-.8037;-4.0034,2.1437,-1.291;-4.3503,-1.0643,.8646;-2.4058,-.5902,1.6486;-5.3704,-.7177,-.0277;-6.0232,.7152,-1.5203;-4.4301,-1.9836,1.4596;-6.2589,-1.3545,-.1286;-1.8336,2.4943,-.5641;-1.2308,1.5757,2.7619;-.545,.7093,2.8535;-.9157,2.3172,3.5189;-2.2523,1.2351,3.004;-.1306,3.2851,1.2588;.8698,2.9094,1.5517;-.08,3.5894,.2044;-.3759,4.1377,1.9241; 0.2206893 0.1317535 0.1290478 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.16,.4183,-.1991;-2.0242,1.4302,-1.1582;-1.1507,2.3576,-.6232;-.5199,.2988,1.7258;.0393,-.4805,2.5454;1.0374,-1.2133,2.2854;1.8403,-1.2033,.3976;3.0434,.3761,.9171;2.6087,1.5599,.8274;1.4633,1.8824,.403;.5235,-2.6725,-.15;-.6094,-2.3509,-.6092;-1.0204,-1.1669,-.7561;2.5195,-1.0871,-1.5415;1.9692,-.2859,-2.3512;.9854,.4489,-2.0598;-1.5332,-3.4506,-1.049;-2.5824,-3.1911,-.7929;-1.467,-3.5514,-2.1567;-1.2443,-4.4162,-.5849;-.5058,-.5024,3.9452;-.0465,.334,4.5209;-1.605,-.3467,3.9306;-.2517,-1.4581,4.449;3.5033,2.6712,1.297;3.2878,3.6056,.738;3.3009,2.8568,2.3772;4.5702,2.3851,1.187;2.5486,-.1499,-3.7304;1.7319,-.1035,-4.4823;3.1157,.8073,-3.7874;3.2357,-.9916,-3.9551;-3.2086,.778,-.5698;-4.2551,.4243,-1.4553;-3.3707,.4608,.799;-5.4277,-.1871,-.9954;-4.1379,.6358,-2.5317;-4.5434,-.1537,1.26;-2.5536,.6421,1.5089;-5.5803,-.4748,.3701;-6.2281,-.4467,-1.7103;-4.6418,-.3961,2.3329;-6.5017,-.9593,.7382;-1.9611,1.2963,-2.2526;-1.1666,2.8488,.7957;-.4913,2.2273,1.4298;-.7863,3.892,.8421;-2.1817,2.8207,1.2443;-.1563,3.0363,-1.5244;.858,2.959,-1.0704;-.1329,2.4841,-2.4827;-.3818,4.1198,-1.6597; 0.2199151 0.1282653 0.1255637 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1135,.3118,-.2982;-1.9292,1.3028,-1.3369;-1.1633,2.3714,-.9227;-.8542,.1515,1.4954;-.346,-.5307,2.4276;.7627,-1.1358,2.3642;1.8538,-1.0659,.6306;2.7575,.6616,1.2668;2.2026,1.7775,1.0577;1.1115,1.9428,.4421;.8372,-2.7049,-.0522;-.2342,-2.5408,-.7017;-.7563,-1.4227,-.9665;2.8244,-.9154,-1.1753;2.322,-.2107,-2.0971;1.2243,.4054,-2.0023;-.9324,-3.7597,-1.2338;-2.0309,-3.629,-1.1622;-.6725,-3.8785,-2.3084;-.6098,-4.6667,-.6866;-1.1074,-.59,3.7214;-.8556,.3097,4.3247;-2.1977,-.577,3.524;-.8246,-1.4915,4.2993;2.8668,3.0037,1.6158;2.6346,3.8885,.991;2.4697,3.1861,2.6386;3.9617,2.8525,1.6899;3.0983,-.0428,-3.3721;2.4165,-.1181,-4.2433;3.5499,.973,-3.3834;3.9048,-.7978,-3.4445;-3.1111,.6776,-.7153;-4.0584,.0878,-1.5833;-3.358,.6054,.6734;-5.2194,-.519,-1.0938;-3.8716,.1074,-2.6686;-4.5191,-.004,1.1648;-2.6137,.9778,1.386;-5.4587,-.563,.2871;-5.9415,-.9665,-1.7958;-4.685,-.0523,2.2533;-6.3705,-1.0421,.6788;-1.772,.9821,-2.38;-1.3249,3.0993,.3814;-.6623,2.6572,1.1589;-1.0236,4.1605,.2633;-2.3664,3.0667,.7588;-.1564,2.9684,-1.8668;.8266,3.0449,-1.353;-.0293,2.2898,-2.73;-.4482,3.995,-2.1824; 0.2142831 0.1324625 0.1268305 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1132,.2894,-.315;-1.9316,1.2243,-1.3526;-1.1955,2.3338,-.9956;-.8417,.2193,1.4905;-.324,-.4108,2.4537;.7874,-1.0127,2.4149;1.8735,-1.0262,.6754;2.7682,.7359,1.2208;2.2025,1.8351,.9608;1.1064,1.9598,.3447;.8696,-2.7084,.0842;-.2063,-2.5875,-.567;-.7393,-1.4895,-.8865;2.8288,-.9534,-1.1445;2.3195,-.2897,-2.093;1.2191,.3247,-2.0218;-.8969,-3.8374,-1.0325;-1.9967,-3.7109,-.964;-.6399,-4.0103,-2.101;-.5661,-4.7132,-.4401;-1.0758,-.4048,3.7542;-.8255,.5278,4.3068;-2.1682,-.409,3.5652;-.7836,-1.2725,4.3782;2.8577,3.0928,1.455;2.6143,3.9447,.7892;2.4638,3.3215,2.4703;3.9549,2.956,1.5308;3.0916,-.171,-3.3755;2.4082,-.2851,-4.2419;3.5389,.8459,-3.43;3.9019,-.9249,-3.4194;-3.1256,.6271,-.7303;-4.0033,-.0843,-1.5804;-3.4529,.6973,.6418;-5.1707,-.6797,-1.0926;-3.755,-.1721,-2.6503;-4.6193,.0974,1.132;-2.7666,1.1773,1.3485;-5.487,-.5888,.2704;-5.8365,-1.2255,-1.7811;-4.8477,.1599,2.2088;-6.4042,-1.059,.6616;-1.7304,.8266,-2.3615;-1.4066,3.1378,.257;-.7611,2.7567,1.0805;-1.1223,4.1964,.0823;-2.4586,3.1073,.6063;-.2069,2.9044,-1.978;.7759,3.0417,-1.4769;-.0641,2.1932,-2.8163;-.5349,3.9036,-2.3438; 0.2135857 0.1317836 0.1257876 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1204,.3336,-.2617;-1.9717,1.3384,-1.2584;-1.2744,2.4532,-.8539;-.7746,.1315,1.5641;-.239,-.5886,2.4521;.855,-1.2085,2.3247;1.8806,-1.0933,.554;2.839,.5894,1.219;2.292,1.7171,1.0712;1.1806,1.9172,.504;.8278,-2.7028,-.139;-.2669,-2.5071,-.7375;-.7882,-1.3767,-.9443;2.7789,-.8832,-1.2809;2.2494,-.1401,-2.1554;1.1618,.4849,-2.0073;-1.0001,-3.7005,-1.2794;-2.0913,-3.5597,-1.1614;-.7843,-3.788,-2.3645;-.6689,-4.6264,-.7751;-.9463,-.6771,3.7742;-.6566,.1984,4.392;-2.0416,-.6436,3.6248;-.6539,-1.5977,4.3116;2.9926,2.9144,1.6465;2.7502,3.8224,1.0639;2.6366,3.065,2.6872;4.0852,2.7482,1.6745;2.9777,.0553,-3.4538;2.2638,.0159,-4.2986;3.4429,1.0627,-3.4525;3.768,-.7065,-3.5798;-3.1385,.6736,-.655;-4.0014,-.0222,-1.5286;-3.4489,.6643,.7205;-5.1414,-.6774,-1.059;-3.7644,-.0481,-2.602;-4.5875,.0041,1.1922;-2.769,1.1277,1.4409;-5.4426,-.6647,.3083;-5.7968,-1.2082,-1.765;-4.8028,.0044,2.2709;-6.3368,-1.1825,.6848;-1.7654,.9968,-2.2844;-1.5158,3.1952,.4311;-.8696,2.7962,1.2415;-1.2584,4.2651,.3044;-2.5675,3.1238,.7673;-.3106,3.1067,-1.8068;.6568,3.2861,-1.2958;-.12,2.4548,-2.6806;-.6986,4.0958,-2.1319; 0.2117662 0.1313738 0.1253938 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1073,.3451,-.2165;-1.9658,1.3784,-1.148;-1.3778,2.5486,-.7403;-.7556,-.0198,1.6008;-.1809,-.7783,2.4317;.9269,-1.3548,2.249;1.9061,-1.0919,.4714;2.8503,.5552,1.2287;2.2752,1.6758,1.1716;1.1479,1.8919,.6421;.8876,-2.6808,-.3024;-.2133,-2.4673,-.88;-.7613,-1.3369,-1.0085;2.7663,-.7607,-1.3571;2.206,.023,-2.1719;1.1128,.6261,-1.9727;-.9255,-3.6391,-1.4917;-2.0129,-3.531,-1.359;-.7164,-3.6529,-2.5759;-.5724,-4.5827,-1.0517;-.864,-.9771,3.7542;-.5947,-.1385,4.4205;-1.9568,-.9709,3.6223;-.5349,-1.9155,4.2235;2.9637,2.8452,1.8142;2.6921,3.7815,1.3045;2.629,2.9149,2.8644;4.0542,2.7017,1.8086;2.9091,.3072,-3.4677;2.1856,.3102,-4.2979;3.3591,1.3138,-3.412;3.7027,-.4307,-3.6517;-3.1184,.6526,-.5887;-3.9025,-.0896,-1.4902;-3.4846,.6315,.7691;-5.026,-.7941,-1.0669;-3.6199,-.1073,-2.5475;-4.6062,-.0776,1.1939;-2.8562,1.1186,1.5125;-5.3871,-.7876,.2811;-5.6205,-1.3566,-1.7934;-4.8634,-.0869,2.2578;-6.2655,-1.3448,.6207;-1.6922,1.0402,-2.1547;-1.7493,3.3155,.4956;-1.1273,3.0027,1.3522;-1.5635,4.3909,.3363;-2.8073,3.1809,.7698;-.4292,3.265,-1.654;.4931,3.5338,-1.11;-.1526,2.6713,-2.5384;-.899,4.2106,-1.9844; 0.2087882 0.1321219 0.1250834 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1071,.3478,-.2162;-1.9687,1.3686,-1.1714;-1.3837,2.5392,-.7598;-.7591,-.0254,1.5992;-.1826,-.7798,2.4327;.9276,-1.3521,2.2532;1.9062,-1.0879,.4755;2.8469,.5608,1.2342;2.2715,1.6814,1.175;1.1457,1.8966,.6426;.8891,-2.6774,-.3008;-.2111,-2.4641,-.8806;-.7596,-1.3344,-1.01;2.7715,-.7554,-1.3499;2.2093,.0218,-2.1693;1.1112,.6182,-1.9767;-.9196,-3.6359,-1.4966;-2.0078,-3.5303,-1.3676;-.7067,-3.6481,-2.5802;-.5666,-4.5798,-1.0568;-.8668,-.9772,3.7549;-.603,-.1346,4.4185;-1.9594,-.977,3.6217;-.534,-1.9121,4.2288;2.9582,2.8518,1.8179;2.6883,3.7875,1.3061;2.6206,2.9232,2.8672;4.0488,2.7085,1.8158;2.9083,.2945,-3.4699;2.1833,.2888,-4.2989;3.3569,1.3023,-3.4245;3.7029,-.4436,-3.6493;-3.1161,.6456,-.601;-3.9033,-.1106,-1.4879;-3.4766,.6478,.7581;-5.024,-.8098,-1.048;-3.6251,-.1453,-2.546;-4.5961,-.0549,1.1993;-2.846,1.1526,1.4886;-5.3795,-.7815,.3015;-5.621,-1.3848,-1.7626;-4.85,-.0449,2.2641;-6.2564,-1.3332,.6539;-1.7007,1.0336,-2.1808;-1.7537,3.2892,.4866;-1.1197,2.9813,1.3357;-1.5883,4.369,.3354;-2.8067,3.132,.7699;-.4343,3.2599,-1.6687;.4888,3.5327,-1.1278;-.1646,2.6605,-2.5498;-.9081,4.2027,-2.0029; 0.2089311 0.1321362 0.1253231 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1126,.3583,-.211;-1.9723,1.3718,-1.163;-1.3688,2.5346,-.7523;-.7241,.0121,1.6243;-.1438,-.7425,2.4551;.9525,-1.3359,2.2607;1.8991,-1.1017,.4624;2.8794,.5373,1.1919;2.3225,1.6672,1.132;1.1922,1.8971,.6156;.84,-2.679,-.2841;-.2674,-2.4513,-.8452;-.8001,-1.3141,-.9729;2.7417,-.7954,-1.3775;2.1746,-.0233,-2.1979;1.0855,.5864,-1.9962;-1.0062,-3.6158,-1.4395;-2.0901,-3.4916,-1.2924;-.8126,-3.6399,-2.5264;-.6611,-4.562,-.9988;-.8057,-.9135,3.7922;-.5176,-.0664,4.4396;-1.9005,-.899,3.6798;-.4779,-1.8469,4.2723;3.0396,2.8312,1.753;2.779,3.7666,1.2361;2.7193,2.919,2.8063;4.1273,2.6685,1.7361;2.8515,.2189,-3.5164;2.1105,.2109,-4.3309;3.3156,1.2205,-3.4959;3.6318,-.5333,-3.6995;-3.122,.6559,-.5874;-3.927,-.0797,-1.4754;-3.4668,.6399,.7758;-5.0509,-.7725,-1.0337;-3.6601,-.1034,-2.5366;-4.5901,-.0555,1.219;-2.8216,1.1237,1.5072;-5.3921,-.7593,.3196;-5.6615,-1.3306,-1.7501;-4.8322,-.0585,2.2864;-6.2718,-1.3054,.6735;-1.7189,1.0426,-2.1778;-1.7143,3.2851,.5006;-1.0762,2.9672,1.343;-1.5346,4.3627,.3499;-2.7661,3.1438,.795;-.4245,3.2488,-1.6725;.5077,3.5173,-1.1465;-.1762,2.645,-2.5563;-.8976,4.1936,-2.0031; 0.2094191 0.1317730 0.1253932 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1287,.3711,-.2604;-1.9317,1.2358,-1.2899;-1.2663,2.4051,-1.0028;-.5946,.4099,1.656;-.0123,-.2314,2.5766;1.0132,-.9502,2.4326;1.8442,-1.0997,.5711;2.9914,.5411,.9729;2.5205,1.6878,.7453;1.3843,1.9224,.2453;.6248,-2.6867,.1559;-.4975,-2.463,-.3788;-.9556,-1.325,-.6678;2.6028,-1.1496,-1.3273;2.029,-.5074,-2.2478;.982,.1897,-2.117;-1.3541,-3.6446,-.7333;-2.416,-3.4096,-.565;-1.2231,-3.8667,-1.8065;-1.0573,-4.5297,-.1534;-.5819,-.0913,3.9591;-.1951,.8408,4.4064;-1.6784,-.0153,3.9153;-.2806,-.9353,4.5951;3.3567,2.8746,1.1292;3.1483,3.7266,.4661;3.0953,3.1706,2.1601;4.4257,2.6193,1.1054;2.631,-.5676,-3.6227;1.8396,-.6666,-4.3808;3.1646,.3786,-3.818;3.3435,-1.4001,-3.701;-3.0969,.6279,-.6323;-3.908,-.2019,-1.4251;-3.4546,.7931,.7167;-5.047,-.8141,-.9117;-3.6304,-.3705,-2.4698;-4.5945,.1801,1.2324;-2.81,1.3591,1.3852;-5.4005,-.6213,.4239;-5.6588,-1.4505,-1.5577;-4.8491,.3227,2.2869;-6.2936,-1.1002,.835;-1.7182,.8112,-2.2766;-1.5257,3.2529,.2089;-.8741,2.9677,1.0528;-1.3064,4.308,-.0242;-2.5694,3.1834,.5513;-.3819,3.0228,-2.0513;.5663,3.3846,-1.6274;-.184,2.319,-2.8725;-.9101,3.9021,-2.4722; 0.2119953 0.1318416 0.1269221 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1201,.3679,-.2358;-1.9485,1.3121,-1.2247;-1.2877,2.4646,-.8697;-.6055,.3052,1.6762;-.0183,-.3808,2.5602;1.0193,-1.0741,2.3772;1.8628,-1.1149,.5137;2.9823,.5255,.993;2.4895,1.6738,.8255;1.3467,1.9138,.3431;.6722,-2.6985,.0186;-.4542,-2.4688,-.503;-.9313,-1.3242,-.7347;2.609,-1.0648,-1.3916;2.0332,-.3671,-2.27;.9892,.323,-2.0886;-1.2905,-3.6461,-.9151;-2.3558,-3.4377,-.7308;-1.1602,-3.8101,-1.9995;-.9754,-4.5546,-.3814;-.5925,-.3307,3.947;-.2173,.5774,4.4517;-1.6906,-.2655,3.9034;-.2808,-1.2093,4.5303;3.3064,2.8541,1.2659;3.0775,3.7357,.6486;3.0459,3.0907,2.3131;4.3802,2.619,1.2227;2.6435,-.3225,-3.6418;1.8557,-.3732,-4.4097;3.1693,.6408,-3.7646;3.3642,-1.1418,-3.776;-3.1073,.6531,-.6043;-3.935,-.103,-1.4541;-3.4488,.7122,.7584;-5.0727,-.748,-.9775;-3.6738,-.183,-2.5141;-4.5858,.0635,1.2371;-2.7939,1.2206,1.4639;-5.4071,-.6644,.3752;-5.699,-1.3243,-1.6658;-4.8254,.1195,2.3039;-6.298,-1.1722,.7576;-1.7349,.9451,-2.2355;-1.5649,3.2607,.3731;-.9474,2.9108,1.2183;-1.3125,4.3209,.2031;-2.6219,3.1998,.6775;-.3792,3.124,-1.8669;.5732,3.4236,-1.399;-.1745,2.4691,-2.7273;-.8711,4.0467,-2.2336; 0.2113025 0.1317640 0.1263201 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1261,.3579,-.2642;-1.939,1.2431,-1.2862;-1.265,2.4036,-.9827;-.564,.4952,1.6551;.0207,-.1289,2.5858;1.0324,-.8692,2.4455;1.8501,-1.0953,.5828;3.02,.5487,.9024;2.5505,1.6892,.6405;1.4059,1.9137,.1551;.621,-2.6881,.2436;-.5091,-2.4805,-.2771;-.9676,-1.3492,-.5971;2.5583,-1.2254,-1.3348;1.9852,-.5854,-2.258;.9617,.1442,-2.116;-1.3778,-3.6698,-.5696;-2.4344,-3.4189,-.3901;-1.2683,-3.9335,-1.6366;-1.0748,-4.5336,.0399;-.5241,.0586,3.9727;-.1235,1.002,4.3846;-1.6217,.1398,3.944;-.2147,-.7693,4.6273;3.4019,2.8841,.9605;3.1877,3.7097,.2652;3.159,3.2239,1.9832;4.4688,2.6176,.9295;2.5742,-.6646,-3.6374;1.7731,-.7457,-4.3888;3.1293,.2687,-3.8384;3.2659,-1.5153,-3.7191;-3.1074,.6256,-.6413;-3.9323,-.1717,-1.4564;-3.4577,.7596,.7135;-5.0764,-.785,-.9541;-3.6638,-.3093,-2.5088;-4.6007,.1415,1.2181;-2.8051,1.3028,1.3958;-5.4195,-.6278,.3902;-5.701,-1.3944,-1.6148;-4.8469,.2544,2.2789;-6.3146,-1.1119,.7932;-1.7265,.8245,-2.2773;-1.5469,3.2618,.2177;-1.0063,2.8955,1.1069;-1.214,4.2963,.0306;-2.6219,3.2811,.4616;-.3507,3.0098,-2.0079;.6023,3.3197,-1.5468;-.1422,2.3205,-2.8409;-.8335,3.9203,-2.4142; 0.2123565 0.1316746 0.1263152 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.117,.3538,-.2603;-1.9295,1.2488,-1.2818;-1.2549,2.4074,-.9723;-.5349,.5302,1.6686;.0652,-.0811,2.5985;1.0697,-.829,2.4506;1.8514,-1.0932,.5772;3.0385,.5472,.8445;2.5689,1.6853,.5734;1.4155,1.9075,.1085;.6117,-2.6866,.2911;-.5269,-2.4836,-.2119;-.9868,-1.3561,-.5438;2.5184,-1.264,-1.3515;1.9333,-.633,-2.2731;.9201,.11,-2.124;-1.4053,-3.6739,-.4696;-2.4576,-3.414,-.279;-1.3131,-3.9574,-1.5329;-1.0971,-4.5275,.151;-.4498,.1338,3.9927;-.0455,1.0877,4.3751;-1.548,.209,3.9864;-.1217,-.6785,4.6572;3.4319,2.8812,.857;3.2117,3.6942,.1493;3.2063,3.2421,1.8763;4.4963,2.6078,.815;2.4962,-.7377,-3.6615;1.6809,-.8135,-4.3977;3.0633,.1836,-3.8823;3.172,-1.6006,-3.7451;-3.0991,.63,-.6401;-3.9193,-.1702,-1.4568;-3.4547,.7665,.7129;-5.0634,-.7852,-.9572;-3.6468,-.3086,-2.5078;-4.5973,.1457,1.2149;-2.8068,1.314,1.3958;-5.4111,-.6269,.3857;-5.6849,-1.3966,-1.6187;-4.8477,.26,2.2744;-6.3062,-1.1124,.7863;-1.7213,.8378,-2.2769;-1.5347,3.2551,.2367;-1.051,2.8408,1.1372;-1.1447,4.2748,.0855;-2.6167,3.3222,.4397;-.354,3.0252,-2.0009;.6003,3.3369,-1.5446;-.1463,2.3373,-2.8346;-.845,3.9335,-2.4016; 0.2120913 0.1320923 0.1265634 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1147,.3442,-.2667;-1.9296,1.2287,-1.2915;-1.277,2.4012,-.9892;-.585,.4846,1.649;.0109,-.1202,2.5861;1.039,-.8378,2.4529;1.864,-1.0698,.5935;3.0085,.594,.8939;2.5191,1.7235,.6224;1.3698,1.9234,.1378;.6674,-2.6889,.2737;-.4652,-2.5072,-.2509;-.9427,-1.3873,-.585;2.5719,-1.2156,-1.3222;1.9883,-.5945,-2.2514;.9564,.1253,-2.1172;-1.3115,-3.7141,-.5379;-2.3736,-3.4779,-.3723;-1.1867,-3.9879,-1.6003;-1.0004,-4.5652,.0844;-.5393,.0674,3.9706;-.1764,1.0319,4.3671;-1.639,.1049,3.9414;-.1972,-.7378,4.6362;3.35,2.9358,.9311;3.1286,3.7473,.2223;3.0933,3.2866,1.9463;4.4204,2.6849,.9121;2.577,-.6807,-3.6303;1.7762,-.766,-4.3808;3.132,.2513,-3.8355;3.2691,-1.5311,-3.7066;-3.0998,.6074,-.6519;-3.9037,-.2151,-1.4618;-3.4734,.769,.6936;-5.0476,-.831,-.9628;-3.6187,-.3703,-2.507;-4.6152,.1469,1.1954;-2.8413,1.3392,1.3719;-5.4117,-.6501,.3727;-5.6564,-1.4605,-1.6189;-4.8794,.2806,2.249;-6.307,-1.1357,.7723;-1.7099,.8112,-2.2811;-1.5791,3.2533,.2117;-1.1517,2.8171,1.1298;-1.1495,4.2597,.084;-2.6672,3.3547,.3659;-.3791,3.0297,-2.0133;.5625,3.3631,-1.5464;-.1412,2.3428,-2.8389;-.8833,3.9255,-2.4244; 0.2116716 0.1320869 0.1262939 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1165,.3404,-.2808;-1.9187,1.1931,-1.3297;-1.2507,2.3645,-1.0555;-.5579,.5871,1.6335;.0422,.0219,2.5929;1.0572,-.7175,2.4836;1.8545,-1.0578,.6286;3.0295,.5985,.8327;2.5551,1.7213,.512;1.4036,1.9159,.0309;.6274,-2.6708,.4062;-.5089,-2.4964,-.113;-.9737,-1.3867,-.4945;2.5375,-1.3075,-1.2849;1.947,-.7324,-2.239;.9241,.005,-2.1324;-1.379,-3.7014,-.328;-2.4354,-3.4377,-.1672;-1.2677,-4.0334,-1.3751;-1.0773,-4.5238,.3362;-.4915,.2838,3.9717;-.1285,1.2704,4.3092;-1.5916,.3162,3.9539;-.1389,-.4822,4.6768;3.4085,2.9337,.7513;3.1997,3.7084,-.0012;3.1603,3.3453,1.7456;4.4742,2.6631,.7445;2.5155,-.9018,-3.6188;1.7034,-1.0051,-4.3545;3.0905,.0046,-3.8773;3.1866,-1.7713,-3.6599;-3.093,.5988,-.673;-3.8896,-.2573,-1.4544;-3.4782,.8158,.6615;-5.0367,-.854,-.9399;-3.5956,-.4555,-2.4898;-4.6227,.2124,1.1794;-2.8557,1.4179,1.3201;-5.4113,-.6196,.3842;-5.6392,-1.511,-1.5745;-4.8963,.39,2.224;-6.3093,-1.0897,.7962;-1.7095,.7543,-2.3121;-1.527,3.2375,.1379;-1.1855,2.7644,1.073;-1.0076,4.2031,.0363;-2.6097,3.4318,.2409;-.3634,2.9662,-2.1049;.5822,3.3156,-1.6598;-.1355,2.2528,-2.9107;-.8756,3.8474,-2.5372; 0.2121705 0.1322966 0.1266183 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1192,.3429,-.2816;-1.9113,1.2013,-1.3347;-1.2462,2.3751,-1.0654;-.5953,.5404,1.6241;-.0112,-.0416,2.5833;1.0137,-.7681,2.4801;1.8484,-1.0601,.634;3.0022,.6035,.8951;2.5258,1.729,.5865;1.3831,1.9247,.0851;.636,-2.6765,.3532;-.4916,-2.4986,-.184;-.9567,-1.3844,-.5513;2.5749,-1.2655,-1.2681;1.9954,-.6821,-2.224;.9625,.0417,-2.1248;-1.3482,-3.7049,-.441;-2.4096,-3.452,-.297;-1.2128,-4.0152,-1.492;-1.0542,-4.5386,.2126;-.5782,.1844,3.9554;-.232,1.1663,4.3232;-1.6778,.2081,3.9127;-.2351,-.5943,4.6512;3.3648,2.9427,.8666;3.1658,3.7298,.1243;3.0926,3.3341,1.8627;4.4325,2.6802,.8771;2.5893,-.8271,-3.5961;1.7909,-.9291,-4.3469;3.1588,.0887,-3.8328;3.2702,-1.6889,-3.6371;-3.0844,.6043,-.6774;-3.8645,-.2731,-1.4519;-3.4831,.8352,.6509;-5.0084,-.8766,-.938;-3.5592,-.4835,-2.4816;-4.625,.2263,1.1681;-2.8752,1.4551,1.306;-5.3971,-.6271,.3792;-5.5972,-1.5505,-1.5677;-4.9096,.4166,2.2076;-6.2929,-1.1016,.7908;-1.6979,.7578,-2.3141;-1.5196,3.2544,.1233;-1.1625,2.793,1.0583;-1.008,4.2228,.0087;-2.6024,3.4426,.2352;-.3545,2.9734,-2.113;.588,3.3271,-1.6644;-.1202,2.2586,-2.9154;-.8652,3.8528,-2.551; 0.2118399 0.1326349 0.1268413 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1222,.3396,-.2921;-1.9094,1.1796,-1.3603;-1.2348,2.3515,-1.1054;-.6052,.5712,1.6046;-.0301,.0029,2.5774;.9952,-.7256,2.4941;1.8444,-1.0485,.6597;2.9969,.6193,.9002;2.5242,1.7395,.5676;1.3855,1.9272,.0539;.633,-2.6691,.399;-.4915,-2.4997,-.1474;-.9535,-1.3917,-.5364;2.5836,-1.2867,-1.2336;2.0081,-.7241,-2.2044;.9738,0,-2.1258;-1.347,-3.71,-.3887;-2.4096,-3.4541,-.2591;-1.2022,-4.0412,-1.4322;-1.0594,-4.5311,.2836;-.6105,.249,3.9403;-.2776,1.2412,4.2924;-1.71,.2613,3.8875;-.2666,-.5133,4.6537;3.3618,2.9574,.8329;3.1752,3.7281,.0703;3.0759,3.372,1.8158;4.4288,2.6934,.8647;2.6086,-.8989,-3.5701;1.814,-1.0095,-4.3238;3.1862,.0082,-3.8203;3.2839,-1.766,-3.591;-3.084,.5961,-.6942;-3.8534,-.3082,-1.4484;-3.4949,.8639,.6235;-4.9969,-.9044,-.9254;-3.5391,-.5466,-2.4693;-4.6367,.2627,1.1499;-2.899,1.5099,1.2643;-5.3968,-.6194,.3812;-5.5766,-1.6001,-1.5397;-4.9309,.4825,2.1809;-6.2925,-1.0876,.8002;-1.7012,.7242,-2.3354;-1.5013,3.2474,.0728;-1.198,2.7738,1.0204;-.9413,4.1901,-.0278;-2.5775,3.4878,.1478;-.3457,2.9336,-2.1645;.5948,3.3004,-1.7224;-.1073,2.2068,-2.9548;-.8605,3.803,-2.618; 0.2120438 0.1327030 0.1268873 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1238,.3401,-.2952;-1.9037,1.1834,-1.3711;-1.2213,2.3511,-1.117;-.6445,.5368,1.5886;-.0884,-.046,2.5636;.9456,-.7636,2.4915;1.8395,-1.0462,.6717;2.9681,.6307,.9608;2.4925,1.751,.6329;1.3639,1.9358,.096;.6504,-2.6746,.3617;-.465,-2.5076,-.2035;-.9302,-1.3982,-.5848;2.6186,-1.2494,-1.2098;2.0545,-.6828,-2.1852;1.0124,.0303,-2.1173;-1.3039,-3.7231,-.4761;-2.3717,-3.4807,-.3643;-1.1347,-4.0409,-1.5202;-1.0209,-4.5492,.1923;-.707,.1657,3.9155;-.4015,1.1573,4.2936;-1.805,.1599,3.834;-.3685,-.6034,4.6245;3.3132,2.9728,.9311;3.1419,3.748,.1691;2.9963,3.3782,1.9084;4.381,2.7168,.9905;2.6813,-.8382,-3.5414;1.9017,-.9427,-4.3116;3.2601,.0742,-3.7694;3.3608,-1.7023,-3.5601;-3.0777,.5998,-.7046;-3.8266,-.3311,-1.4476;-3.5109,.8931,.6008;-4.9683,-.9316,-.9254;-3.4964,-.5881,-2.4589;-4.6511,.2884,1.1264;-2.9367,1.5662,1.2334;-5.3886,-.6226,.3693;-5.5307,-1.6489,-1.5312;-4.9624,.5293,2.1478;-6.2833,-1.0935,.7881;-1.6962,.7257,-2.3454;-1.4795,3.2529,.0582;-1.2058,2.7708,1.0103;-.8892,4.1781,-.0321;-2.5488,3.5277,.1137;-.3307,2.9277,-2.1778;.6079,3.2991,-1.7348;-.0869,2.1988,-2.9644;-.8444,3.7947,-2.6378; 0.2118633 0.1330165 0.1270362 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1251,.3399,-.3002;-1.8945,1.1812,-1.3889;-1.2013,2.3437,-1.1388;-.6769,.524,1.57;-.14,-.0676,2.5504;.8994,-.779,2.4933;1.8315,-1.0422,.6895;2.9437,.6406,1.0076;2.4692,1.7596,.6742;1.3499,1.9412,.1167;.6595,-2.6765,.3497;-.4485,-2.5127,-.2308;-.9137,-1.4039,-.6138;2.6436,-1.2312,-1.1795;2.0904,-.6672,-2.1628;1.044,.0405,-2.1094;-1.2748,-3.7322,-.5234;-2.3462,-3.4976,-.4295;-1.0848,-4.0453,-1.5653;-.9982,-4.5588,.147;-.7903,.126,3.8901;-.512,1.1212,4.2795;-1.886,.1006,3.7841;-.4536,-.6408,4.6023;3.2772,2.9848,.9925;3.1257,3.7569,.2231;2.9303,3.3929,1.9584;4.3437,2.7326,1.0838;2.7392,-.817,-3.5093;1.9725,-.9145,-4.2932;3.3252,.0945,-3.722;3.4162,-1.6832,-3.5214;-3.0695,.6028,-.7209;-3.7934,-.3637,-1.4436;-3.5288,.9333,.5668;-4.9332,-.9651,-.9186;-3.4441,-.6484,-2.4408;-4.6671,.3278,1.0955;-2.98,1.641,1.1839;-5.378,-.6206,.3589;-5.4751,-1.7107,-1.5087;-4.9988,.599,2.1027;-6.2714,-1.0916,.7801;-1.6877,.717,-2.3603;-1.4514,3.2553,.0308;-1.2405,2.7578,.9905;-.8089,4.1471,-.0343;-2.5055,3.5893,.0456;-.3077,2.9094,-2.2029;.6298,3.2837,-1.7598;-.0599,2.1751,-2.9831;-.8181,3.7737,-2.6718; 0.2118292 0.1334475 0.1272824 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1263,.3402,-.3055;-1.8815,1.1851,-1.4073;-1.1755,2.3406,-1.1583;-.7221,.4978,1.5456;-.2097,-.1079,2.5303;.8364,-.8108,2.4909;1.8196,-1.0406,.7091;2.9086,.6479,1.0749;2.4351,1.7666,.7398;1.3295,1.9461,.1548;.6731,-2.6815,.3201;-.4236,-2.5195,-.2818;-.8897,-1.4098,-.6611;2.678,-1.1994,-1.1423;2.1413,-.6318,-2.1328;1.0885,.0672,-2.0962;-1.2328,-3.7424,-.6068;-2.3081,-3.5186,-.5346;-1.016,-4.0428,-1.6473;-.964,-4.5738,.061;-.9021,.0552,3.8528;-.6585,1.0516,4.2617;-1.9934,.0069,3.7133;-.5699,-.7131,4.5655;3.2255,2.9945,1.09;3.0989,3.7671,.3165;2.8407,3.4002,2.0425;4.2891,2.7473,1.2202;2.8215,-.7639,-3.4655;2.074,-.8497,-4.269;3.4137,.1497,-3.6512;3.4981,-1.6305,-3.4732;-3.0582,.6104,-.7403;-3.748,-.3989,-1.438;-3.5522,.982,.5234;-4.8844,-1.0051,-.9114;-3.3727,-.7145,-2.4161;-4.6874,.3723,1.0538;-3.0374,1.7308,1.1206;-5.3617,-.6212,.3428;-5.3981,-1.7851,-1.482;-5.0463,.6773,2.042;-6.2528,-1.0953,.7655;-1.6746,.7159,-2.3763;-1.416,3.2608,.0067;-1.2714,2.7496,.9711;-.7215,4.1141,-.0296;-2.4486,3.6565,-.0195;-.2768,2.8951,-2.2238;.66,3.2693,-1.7787;-.0252,2.1562,-2.9984;-.7814,3.7587,-2.7008; 0.2117942 0.1340532 0.1276032 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1279,.341,-.3079;-1.877,1.1782,-1.417;-1.167,2.333,-1.1749;-.7249,.5099,1.5403;-.2169,-.0926,2.5293;.8278,-.7978,2.4967;1.8139,-1.0396,.7181;2.9074,.6472,1.0782;2.439,1.7654,.7346;1.3357,1.9454,.1454;.6636,-2.6793,.334;-.4312,-2.5166,-.2712;-.8926,-1.4074,-.6572;2.6776,-1.2099,-1.1296;2.1441,-.6475,-2.1247;1.0925,.054,-2.0948;-1.243,-3.7384,-.5938;-2.3178,-3.5104,-.5272;-1.023,-4.0446,-1.6319;-.9798,-4.5674,.079;-.9116,.0811,3.8494;-.6727,1.0824,4.2487;-2.0024,.0273,3.7089;-.5776,-.6789,4.57;3.2324,2.9929,1.0798;3.1156,3.7586,.298;2.8417,3.4097,2.025;4.2937,2.7422,1.2207;2.8267,-.7897,-3.4552;2.0808,-.8735,-4.2604;3.4258,.1189,-3.6429;3.4974,-1.6608,-3.4576;-3.0546,.6089,-.7468;-3.7341,-.4171,-1.4299;-3.5595,1.0019,.5061;-4.8696,-1.0209,-.8988;-3.3509,-.7485,-2.3995;-4.6942,.3952,1.0409;-3.0556,1.7677,1.0908;-5.3573,-.6164,.345;-5.3747,-1.8147,-1.4576;-5.062,.7175,2.0201;-6.248,-1.0882,.771;-1.6693,.7016,-2.3821;-1.4066,3.2637,-.0182;-1.2883,2.7557,.9511;-.6945,4.1024,-.048;-2.4302,3.6805,-.0641;-.2651,2.8763,-2.2435;.6737,3.2484,-1.8012;-.0185,2.131,-3.0134;-.7654,3.7392,-2.7263; 0.2119127 0.1341976 0.1277330 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.13,.343,-.3121;-1.869,1.1732,-1.4331;-1.1437,2.3213,-1.1994;-.7449,.5137,1.5254;-.25,-.0887,2.5212;.7937,-.7958,2.5025;1.8007,-1.0402,.7354;2.894,.643,1.1104;2.4345,1.7614,.7561;1.34,1.9431,.1516;.655,-2.6798,.3356;-.4325,-2.5147,-.2823;-.8871,-1.4046,-.6731;2.6886,-1.2092,-1.1012;2.1671,-.6471,-2.1026;1.115,.0547,-2.0862;-1.2426,-3.7341,-.6173;-2.3172,-3.5022,-.5666;-1.0083,-4.0408,-1.6518;-.9919,-4.5639,.0591;-.9615,.0873,3.8321;-.7484,1.0984,4.2204;-2.0494,.0095,3.6807;-.6207,-.6568,4.5656;3.2273,2.9881,1.1065;3.14,3.7416,.3094;2.811,3.4236,2.0319;4.2817,2.7321,1.283;2.865,-.7913,-3.425;2.1296,-.8587,-4.2409;3.4807,.1089,-3.5979;3.5228,-1.6721,-3.4238;-3.0488,.6125,-.7607;-3.6921,-.4595,-1.4076;-3.5921,1.0558,.4587;-4.8241,-1.0638,-.8706;-3.2813,-.8278,-2.3518;-4.7237,.4491,.9996;-3.1264,1.869,1.0101;-5.3469,-.612,.3421;-5.2991,-1.8951,-1.4003;-5.1221,.8126,1.9517;-6.2353,-1.0837,.7725;-1.6623,.6874,-2.3937;-1.3725,3.2684,-.0545;-1.3242,2.7609,.9203;-.6109,4.0626,-.0586;-2.3659,3.7467,-.146;-.241,2.844,-2.2782;.7051,3.2088,-1.8458;-.0102,2.0864,-3.0412;-.7339,3.7071,-2.7682; 0.2121374 0.1345430 0.1279606 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1312,.3443,-.3139;-1.8628,1.174,-1.4426;-1.1318,2.3193,-1.2104;-.7594,.5126,1.5162;-.2726,-.091,2.5153;.7699,-.8001,2.5037;1.7916,-1.043,.7446;2.8844,.6368,1.1346;2.4309,1.7561,.7754;1.3427,1.9401,.1606;.6486,-2.6812,.3296;-.433,-2.5131,-.2977;-.8836,-1.4011,-.6879;2.696,-1.2065,-1.0851;2.1837,-.6403,-2.0888;1.1314,.0617,-2.0791;-1.2431,-3.7296,-.6432;-2.3172,-3.4933,-.6032;-.9992,-4.0346,-1.6759;-1.0021,-4.5615,.034;-.9942,.0846,3.8208;-.7994,1.102,4.2019;-2.0798,-.0109,3.6632;-.647,-.6488,4.5618;3.2241,2.9812,1.1304;3.1583,3.7267,.3236;2.7904,3.4294,2.0415;4.2729,2.7207,1.3316;2.8948,-.777,-3.405;2.1682,-.8281,-4.2297;3.5218,.1185,-3.5607;3.5439,-1.6641,-3.4058;-3.0444,.616,-.7709;-3.6594,-.488,-1.3914;-3.6155,1.0907,.4237;-4.7882,-1.0948,-.8506;-3.2286,-.879,-2.3171;-4.7445,.4824,.968;-3.177,1.9347,.9506;-5.3372,-.6127,.3386;-5.2405,-1.9516,-1.3591;-5.1654,.8718,1.8999;-6.2233,-1.0861,.7716;-1.6527,.6823,-2.3994;-1.3569,3.2711,-.0691;-1.3663,2.7589,.904;-.5602,4.0295,-.0434;-2.3233,3.7948,-.1951;-.2247,2.8334,-2.2902;.7274,3.1847,-1.8597;-.0068,2.071,-3.0521;-.7078,3.7025,-2.7792; 0.2122925 0.1348147 0.1280984 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1288,.3427,-.3067;-1.8827,1.1711,-1.4197;-1.1681,2.3254,-1.1847;-.7083,.5364,1.547;-.1909,-.052,2.5399;.8446,-.7704,2.5047;1.808,-1.0472,.7185;2.9276,.6251,1.0595;2.4707,1.7451,.7057;1.3652,1.9314,.1238;.6373,-2.6783,.3549;-.458,-2.5082,-.2472;-.9093,-1.3968,-.6385;2.6584,-1.238,-1.1346;2.1289,-.6675,-2.1267;1.0833,.0442,-2.0933;-1.2877,-3.7205,-.5589;-2.3578,-3.4735,-.4887;-1.078,-4.0343,-1.5965;-1.034,-4.55,.1167;-.8608,.1563,3.8678;-.6218,1.1707,4.2316;-1.9538,.0911,3.7513;-.5076,-.5798,4.6034;3.2834,2.9666,1.027;3.1839,3.7149,.2264;2.8941,3.4127,1.959;4.3393,2.7013,1.1796;2.8073,-.8111,-3.4592;2.0598,-.8727,-4.2643;3.4246,.0867,-3.6385;3.4608,-1.6949,-3.4697;-3.0615,.6073,-.7459;-3.7263,-.4413,-1.4089;-3.5833,1.0307,.4895;-4.8595,-1.0423,-.8706;-3.3337,-.7917,-2.3676;-4.7163,.4272,1.0313;-3.0957,1.8234,1.0524;-5.3611,-.611,.3584;-5.3528,-1.855,-1.4124;-5.0979,.7739,1.9965;-6.2501,-1.0811,.7892;-1.6748,.6881,-2.3814;-1.4025,3.2618,-.0329;-1.3037,2.7541,.9383;-.6732,4.0858,-.0586;-2.4169,3.6981,-.0916;-.2693,2.8575,-2.263;.6857,3.204,-1.8351;-.0583,2.1035,-3.0354;-.7587,3.7313,-2.7361; 0.2123026 0.1339063 0.1276094 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1297,.3415,-.312;-1.8749,1.1688,-1.4325;-1.1488,2.3176,-1.2015;-.7479,.5137,1.5247;-.2473,-.0795,2.5233;.7938,-.7903,2.5041;1.7985,-1.0446,.7369;2.8977,.6326,1.1176;2.4426,1.7514,.758;1.3493,1.934,.1526;.65,-2.6823,.3327;-.435,-2.5148,-.2886;-.8873,-1.4032,-.678;2.6904,-1.2102,-1.0997;2.1771,-.6347,-2.0972;1.1238,.0665,-2.0799;-1.2486,-3.7301,-.6294;-2.3217,-3.4908,-.5797;-1.0147,-4.0326,-1.6652;-1.0034,-4.5642,.0436;-.9483,.1116,3.8377;-.7514,1.1351,4.2012;-2.0361,.0097,3.6998;-.586,-.6102,4.5829;3.2405,2.9767,1.1015;3.174,3.7164,.2895;2.8112,3.4328,2.0108;4.2893,2.7145,1.3008;2.8861,-.7578,-3.4157;2.1585,-.799,-4.2399;3.514,.1387,-3.562;3.5345,-1.6455,-3.427;-3.0575,.61,-.7617;-3.6746,-.4907,-1.3858;-3.6299,1.0852,.4319;-4.805,-1.0962,-.8467;-3.2452,-.8792,-2.3132;-4.7604,.478,.9745;-3.1903,1.9288,.9587;-5.3538,-.6155,.3431;-5.2591,-1.9508,-1.3573;-5.1822,.8671,1.9062;-6.241,-1.0886,.7744;-1.6649,.6785,-2.3901;-1.3715,3.2627,-.0546;-1.3613,2.7468,.9166;-.5834,4.0307,-.0373;-2.3461,3.7745,-.1655;-.2493,2.8366,-2.2863;.7127,3.172,-1.8653;-.0536,2.0755,-3.0558;-.7308,3.7144,-2.7601; 0.2124724 0.1342491 0.1276683 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.129,.341,-.31;-1.8784,1.1764,-1.4262;-1.1545,2.3247,-1.1881;-.7525,.4961,1.5263;-.2503,-.1019,2.5211;.793,-.8096,2.4973;1.802,-1.0468,.7306;2.8942,.6318,1.1254;2.4349,1.7518,.7745;1.3415,1.9349,.1694;.6589,-2.6846,.3123;-.4258,-2.5168,-.309;-.8823,-1.4037,-.69;2.6967,-1.1966,-1.106;2.1848,-.6124,-2.0993;1.1292,.0849,-2.0782;-1.2356,-3.7326,-.657;-2.3098,-3.4987,-.6023;-1.0031,-4.026,-1.6959;-.9851,-4.571,.0089;-.9547,.0747,3.8356;-.7649,1.0967,4.2073;-2.0417,-.033,3.6948;-.5894,-.6508,4.576;3.2286,2.9771,1.1272;3.162,3.7214,.3192;2.7955,3.4269,2.038;4.2777,2.7167,1.3276;2.9001,-.7174,-3.4159;2.1761,-.7514,-4.2439;3.5255,.183,-3.5487;3.5518,-1.6027,-3.4349;-3.0605,.6126,-.7586;-3.6763,-.4854,-1.3891;-3.6349,1.0814,.4367;-4.8073,-1.0942,-.8548;-3.2456,-.8688,-2.3181;-4.766,.4707,.9745;-3.1968,1.9225,.9688;-5.3582,-.6197,.3367;-5.2604,-1.9464,-1.3705;-5.1894,.8549,1.9077;-6.2459,-1.0955,.7643;-1.6695,.6927,-2.3875;-1.3742,3.258,-.0308;-1.3658,2.7309,.9345;-.5835,4.0233,-.0051;-2.3472,3.7743,-.136;-.258,2.8549,-2.2699;.7057,3.1842,-1.8477;-.0649,2.1024,-3.0483;-.7396,3.739,-2.7316; 0.2124551 0.1341324 0.1275062 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1298,.3411,-.3102;-1.8794,1.1887,-1.424;-1.1536,2.3336,-1.1773;-.7745,.4666,1.5169;-.2788,-.1406,2.5093;.769,-.8418,2.4872;1.8003,-1.0507,.7302;2.8782,.629,1.1587;2.4166,1.7509,.8165;1.3283,1.9357,.2028;.6697,-2.6883,.2788;-.4096,-2.519,-.3508;-.8684,-1.4036,-.7228;2.7152,-1.1734,-1.0985;2.2146,-.5731,-2.0883;1.1547,.1169,-2.0697;-1.2093,-3.7352,-.7205;-2.2857,-3.5107,-.6669;-.9701,-4.0118,-1.7627;-.9555,-4.5815,-.0656;-.9992,.0134,3.8178;-.8356,1.0371,4.1975;-2.0825,-.1164,3.6647;-.6269,-.7094,4.5575;3.2006,2.976,1.1908;3.151,3.7224,.383;2.7462,3.4236,2.0924;4.2456,2.7166,1.4135;2.9515,-.6478,-3.395;2.2417,-.6599,-4.236;3.5809,.2544,-3.4944;3.6023,-1.5336,-3.4245;-3.062,.6192,-.7617;-3.6524,-.4991,-1.3814;-3.6627,1.101,.4156;-4.7819,-1.1158,-.853;-3.2018,-.8924,-2.2968;-4.7927,.4827,.9474;-3.2497,1.9614,.9369;-5.3579,-.6288,.3215;-5.2142,-1.9841,-1.36;-5.2369,.8784,1.8661;-6.2449,-1.1104,.7446;-1.6702,.7105,-2.3881;-1.3629,3.2538,-.0078;-1.3938,2.7106,.9479;-.5453,3.9888,.0466;-2.3137,3.8085,-.1249;-.2591,2.8744,-2.2556;.7105,3.1869,-1.8337;-.078,2.1351,-3.0496;-.7348,3.7719,-2.6972; 0.2125324 0.1341815 0.1273221 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1295,.3416,-.3083;-1.8813,1.1932,-1.4201;-1.1582,2.3382,-1.1679;-.7736,.4573,1.5204;-.2751,-.1518,2.5102;.7742,-.8505,2.4844;1.8023,-1.0521,.7249;2.8792,.6277,1.1567;2.4154,1.7504,.8202;1.3257,1.9364,.2094;.6716,-2.6887,.2704;-.4079,-2.5184,-.3587;-.8676,-1.4023,-.7278;2.7152,-1.1698,-1.1047;2.2142,-.5648,-2.0916;1.1542,.1246,-2.0693;-1.2069,-3.7346,-.7299;-2.2836,-3.5128,-.6706;-.9719,-4.0064,-1.7743;-.9485,-4.5829,-.0796;-.995,-.0046,3.8199;-.8325,1.0176,4.2037;-2.0782,-.1351,3.6668;-.6213,-.73,4.5563;3.1988,2.975,1.1973;3.147,3.7241,.3923;2.7454,3.4191,2.1012;4.2445,2.716,1.4174;2.951,-.6332,-3.3986;2.2414,-.6422,-4.2398;3.5797,.27,-3.494;3.6026,-1.5183,-3.4321;-3.0633,.6206,-.7596;-3.6574,-.4918,-1.3864;-3.6596,1.0944,.423;-4.7868,-1.1102,-.8597;-3.2092,-.8797,-2.3053;-4.7894,.4743,.953;-3.2427,1.9492,.9505;-5.3588,-.631,.3199;-5.222,-1.974,-1.3721;-5.2302,.8635,1.8762;-6.2457,-1.1139,.7416;-1.6718,.7197,-2.3864;-1.3707,3.2527,.0056;-1.3963,2.7055,.9593;-.5575,3.9925,.0614;-2.3251,3.8021,-.1071;-.264,2.887,-2.2419;.7065,3.194,-1.8181;-.0854,2.1564,-3.0444;-.7383,3.7899,-2.6739; 0.2124887 0.1341306 0.1272592 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1275,.3431,-.3017;-1.8881,1.1887,-1.4021;-1.1808,2.3432,-1.1521;-.6973,.5226,1.5595;-.1683,-.0669,2.5454;.8672,-.7846,2.4969;1.8128,-1.0557,.7008;2.9393,.6133,1.0393;2.4791,1.7366,.7003;1.367,1.9286,.1329;.6319,-2.6798,.3411;-.4661,-2.5054,-.2545;-.9169,-1.3917,-.6405;2.6466,-1.2432,-1.1596;2.1182,-.6542,-2.1418;1.076,.0607,-2.0951;-1.3004,-3.7156,-.5621;-2.3696,-3.4721,-.4671;-1.1123,-4.0177,-1.6074;-1.0318,-4.5517,.0994;-.825,.1359,3.8806;-.5784,1.1474,4.2479;-1.9195,.0759,3.7743;-.4677,-.6057,4.6089;3.2971,2.9547,1.0208;3.19,3.7085,.2262;2.9186,3.3954,1.96;4.3543,2.687,1.1601;2.7951,-.7791,-3.4769;2.0468,-.8287,-4.2824;3.4124,.1213,-3.6434;3.4482,-1.663,-3.501;-3.0654,.6141,-.7348;-3.7413,-.4115,-1.422;-3.576,1.0066,.5154;-4.8766,-1.0182,-.8942;-3.3552,-.7403,-2.3912;-4.7105,.3966,1.0471;-3.077,1.777,1.0988;-5.3681,-.6168,.349;-5.3787,-1.8125,-1.455;-5.083,.7184,2.0245;-6.2584,-1.0917,.772;-1.6814,.7202,-2.3713;-1.413,3.256,.0195;-1.2766,2.736,.9799;-.7075,4.1006,-.01;-2.4403,3.6649,-.0066;-.2877,2.9009,-2.2213;.6747,3.2242,-1.7915;-.0924,2.176,-3.0253;-.7729,3.7964,-2.6567; 0.2122715 0.1336915 0.1273616 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1285,.3438,-.302;-1.8892,1.1892,-1.4047;-1.1783,2.3412,-1.1537;-.7009,.5214,1.5574;-.1725,-.0669,2.5445;.8628,-.7849,2.4975;1.8102,-1.0578,.7027;2.9393,.6088,1.0443;2.4816,1.7329,.7043;1.3704,1.9266,.1358;.6273,-2.6798,.3401;-.4688,-2.5037,-.2584;-.9169,-1.3892,-.6454;2.6478,-1.2456,-1.1559;2.1243,-.6515,-2.1378;1.0826,.0641,-2.0924;-1.3049,-3.712,-.5678;-2.3736,-3.4673,-.4699;-1.1197,-4.0112,-1.6144;-1.0361,-4.5503,.0908;-.8302,.1377,3.879;-.5939,1.154,4.2395;-1.9241,.0662,3.7736;-.4656,-.596,4.6116;3.3014,2.9498,1.0245;3.2057,3.6979,.2229;2.9147,3.3998,1.9558;4.356,2.679,1.1765;2.8074,-.7709,-3.4702;2.0635,-.8085,-4.2803;3.4326,.126,-3.6256;3.4543,-1.6594,-3.4977;-3.0672,.6154,-.7376;-3.732,-.4235,-1.4159;-3.5902,1.0224,.5027;-4.8666,-1.0309,-.8874;-3.3372,-.7624,-2.3779;-4.7242,.412,1.0349;-3.1032,1.8073,1.0771;-5.3694,-.616,.3468;-5.3595,-1.836,-1.4409;-5.1067,.7458,2.0044;-6.2594,-1.0913,.7701;-1.6831,.7205,-2.3739;-1.4054,3.2529,.0195;-1.2933,2.7261,.9791;-.681,4.0817,.0027;-2.4229,3.685,-.0192;-.2859,2.8987,-2.2239;.6839,3.2058,-1.7988;-.1078,2.179,-3.0365;-.7635,3.8041,-2.647; 0.2124358 0.1336503 0.1272931 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1293,.3431,-.3047;-1.8845,1.199,-1.4119;-1.1666,2.3455,-1.1545;-.7533,.4653,1.5338;-.2455,-.1415,2.5203;.8031,-.8411,2.486;1.8058,-1.0555,.7133;2.8975,.6212,1.1217;2.4331,1.7453,.7914;1.3351,1.9351,.1963;.6599,-2.6871,.2826;-.4242,-2.514,-.3383;-.8799,-1.3978,-.7115;2.6952,-1.189,-1.1258;2.187,-.5829,-2.1087;1.133,.1148,-2.0756;-1.2331,-3.7281,-.6946;-2.3079,-3.5043,-.614;-1.0203,-3.9993,-1.7437;-.9639,-4.5772,-.0501;-.9484,.015,3.8381;-.7575,1.0309,4.2254;-2.0357,-.0894,3.6965;-.5831,-.722,4.567;3.2256,2.9673,1.1578;3.1543,3.7224,.3601;2.7953,3.4042,2.0761;4.2762,2.7066,1.3502;2.9071,-.6625,-3.4244;2.1866,-.6827,-4.256;3.5309,.2417,-3.5378;3.5607,-1.5459,-3.4573;-3.0639,.6221,-.7508;-3.6902,-.4547,-1.4069;-3.6255,1.0589,.4625;-4.8212,-1.0716,-.8821;-3.2663,-.8162,-2.348;-4.7565,.4398,.9909;-3.1763,1.8791,1.0176;-5.3609,-.6276,.3261;-5.2827,-1.9066,-1.4183;-5.1695,.7988,1.9387;-6.2487,-1.1096,.7466;-1.6752,.7314,-2.381;-1.3879,3.2563,.0206;-1.3436,2.7158,.9778;-.619,4.0436,.0414;-2.3771,3.7463,-.0554;-.2695,2.9028,-2.2208;.7028,3.1983,-1.7927;-.0962,2.1892,-3.0395;-.7382,3.8163,-2.6367; 0.2123656 0.1340101 0.1272885 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1313,.3438,-.3086;-1.8787,1.205,-1.4224;-1.1508,2.3447,-1.1618;-.7881,.4403,1.5129;-.2956,-.1743,2.5024;.7584,-.866,2.4813;1.7966,-1.0557,.7259;2.8713,.6222,1.1724;2.4079,1.7468,.8426;1.3203,1.9367,.2287;.6693,-2.6901,.2572;-.4039,-2.5164,-.3819;-.8582,-1.3989,-.7526;2.7216,-1.1646,-1.0971;2.2284,-.5504,-2.0827;1.1693,.1399,-2.0625;-1.2003,-3.7305,-.7651;-2.2773,-3.5138,-.6957;-.9725,-3.9864,-1.8148;-.9347,-4.5864,-.1282;-1.0287,-.0407,3.8062;-.8781,.9804,4.1972;-2.1092,-.1783,3.6421;-.6565,-.7673,4.5418;3.1883,2.9698,1.2313;3.149,3.7188,.4256;2.7229,3.4151,2.128;4.2302,2.7093,1.4655;2.9751,-.6107,-3.3846;2.2728,-.6071,-4.2316;3.6101,.2891,-3.4656;3.6214,-1.4993,-3.4212;-3.0598,.6283,-.7643;-3.6452,-.4897,-1.3889;-3.6633,1.1027,.4142;-4.7718,-1.1138,-.8636;-3.191,-.8786,-2.3042;-4.7906,.4773,.9429;-3.2559,1.9634,.939;-5.3506,-.6341,.3124;-5.1996,-1.9819,-1.3743;-5.237,.8675,1.8628;-6.2355,-1.1209,.7331;-1.6689,.737,-2.3911;-1.3616,3.2558,.0151;-1.4066,2.7052,.9657;-.5388,3.9833,.084;-2.306,3.8204,-.1064;-.2528,2.8999,-2.2284;.7277,3.1735,-1.8044;-.0982,2.195,-3.0584;-.7088,3.8266,-2.6289; 0.2125318 0.1343786 0.1273440 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1303,.3437,-.3073;-1.8792,1.1966,-1.42;-1.1567,2.3413,-1.1663;-.758,.4746,1.5279;-.2546,-.1294,2.5184;.7923,-.8315,2.4904;1.7995,-1.0555,.7212;2.8953,.6188,1.1276;2.4354,1.7428,.7911;1.3397,1.9335,.192;.651,-2.6864,.2928;-.4299,-2.5123,-.3332;-.8806,-1.3961,-.7122;2.6948,-1.1965,-1.1146;2.1906,-.5937,-2.1014;1.1382,.1069,-2.0744;-1.242,-3.7246,-.6887;-2.3159,-3.4968,-.6078;-1.0309,-3.9964,-1.7378;-.9754,-4.5742,-.044;-.9623,.033,3.833;-.7793,1.0532,4.2126;-2.0484,-.0795,3.6891;-.5946,-.6959,4.5687;3.2306,2.9642,1.1542;3.1732,3.7106,.3474;2.7913,3.4138,2.0619;4.2771,2.6997,1.362;2.9137,-.6814,-3.415;2.1956,-.695,-4.2486;3.5471,.2161,-3.5271;3.5586,-1.5713,-3.4452;-3.0591,.6229,-.7568;-3.6725,-.4702,-1.3979;-3.6344,1.0787,.4429;-4.8018,-1.087,-.8694;-3.2397,-.8448,-2.3295;-4.7642,.4603,.9747;-3.1987,1.9155,.9837;-5.3539,-.6253,.3265;-5.2526,-1.9355,-1.3932;-5.1882,.8345,1.9115;-6.2405,-1.107,.7496;-1.6713,.7258,-2.3878;-1.3718,3.2559,.0068;-1.3643,2.7133,.9634;-.5786,4.018,.0441;-2.3429,3.7777,-.0893;-.261,2.8938,-2.2364;.7172,3.1772,-1.8138;-.1013,2.182,-3.0596;-.723,3.8138,-2.6451; 0.2124464 0.1342254 0.1274492 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1311,.3439,-.3093;-1.8765,1.1952,-1.4253;-1.1512,2.3389,-1.1742;-.7623,.479,1.523;-.2631,-.1249,2.5157;.7827,-.8288,2.4918;1.7958,-1.0559,.7262;2.892,.6174,1.1349;2.4343,1.7416,.7957;1.3409,1.9326,.1926;.6474,-2.6865,.2955;-.4314,-2.5118,-.3341;-.8796,-1.3955,-.7155;2.6967,-1.198,-1.1069;2.1956,-.5966,-2.096;1.1437,.1052,-2.073;-1.2447,-3.7228,-.6909;-2.3181,-3.4937,-.6077;-1.0356,-3.9925,-1.741;-.9781,-4.5741,-.0483;-.9748,.0396,3.8279;-.7929,1.0603,4.2068;-2.0605,-.0732,3.6809;-.6094,-.6885,4.5656;3.2301,2.9625,1.1588;3.1797,3.7056,.3484;2.7859,3.4172,2.0616;4.2747,2.6965,1.3744;2.9218,-.6873,-3.4077;2.2058,-.6988,-4.2431;3.5587,.208,-3.5185;3.5638,-1.5793,-3.4357;-3.0566,.6233,-.7607;-3.6642,-.478,-1.3935;-3.6376,1.0886,.4327;-4.7927,-1.094,-.8624;-3.2279,-.859,-2.3208;-4.7667,.4711,.9669;-3.2072,1.9332,.9658;-5.35,-.6231,.3275;-5.2388,-1.9491,-1.3795;-5.1954,.8531,1.8985;-6.236,-1.1043,.7526;-1.6687,.7216,-2.3918;-1.3618,3.2564,-.0027;-1.3582,2.7156,.9548;-.5629,4.0128,.0335;-2.3288,3.7851,-.1009;-.2544,2.8867,-2.2461;.7276,3.1608,-1.8262;-.1041,2.1757,-3.0719;-.7102,3.8115,-2.6507; 0.2124968 0.1343413 0.1275465 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1319,.3436,-.3115;-1.8749,1.1947,-1.431;-1.1457,2.336,-1.1795;-.7772,.4686,1.5136;-.2848,-.1383,2.5079;.7636,-.8386,2.49;1.7929,-1.0545,.7324;2.8797,.6209,1.1572;2.4216,1.7447,.8173;1.3328,1.9343,.2055;.6541,-2.6876,.2852;-.4202,-2.514,-.3521;-.869,-1.3976,-.7326;2.7099,-1.1854,-1.0937;2.2142,-.5828,-2.0848;1.1595,.115,-2.068;-1.2273,-3.726,-.7195;-2.3019,-3.5013,-.638;-1.0143,-3.9877,-1.7708;-.9595,-4.5804,-.0816;-1.0095,.0169,3.8141;-.8427,1.0392,4.1955;-2.0925,-.1079,3.6572;-.6427,-.708,4.5542;3.2103,2.9671,1.1906;3.1731,3.7077,.3771;2.7504,3.4246,2.0841;4.2514,2.7027,1.4244;2.9515,-.6662,-3.3908;2.2429,-.6703,-4.2325;3.5918,.2282,-3.4896;3.5918,-1.5595,-3.4191;-3.0555,.6237,-.7668;-3.6486,-.4932,-1.386;-3.6518,1.1048,.4128;-4.7757,-1.1106,-.8535;-3.2016,-.8854,-2.3034;-4.7796,.4863,.9483;-3.2363,1.9649,.9329;-5.347,-.6248,.3237;-5.2099,-1.9782,-1.3597;-5.2205,.8812,1.8688;-6.232,-1.1068,.7498;-1.6672,.7201,-2.397;-1.3515,3.2542,-.0077;-1.3803,2.7104,.9475;-.5327,3.9878,.0456;-2.3014,3.8103,-.1223;-.2487,2.8822,-2.2521;.7372,3.146,-1.8347;-.1078,2.1746,-3.0826;-.6982,3.813,-2.65; 0.2125720 0.1344565 0.1275629 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1315,.3438,-.3098;-1.8779,1.1962,-1.4269;-1.1512,2.3386,-1.1737;-.7746,.4622,1.5175;-.2799,-.1468,2.5092;.7692,-.8461,2.4876;1.7957,-1.0552,.7277;2.8808,.6204,1.1562;2.4208,1.7445,.8201;1.3311,1.9345,.2101;.6581,-2.6883,.2772;-.4175,-2.5141,-.3579;-.8682,-1.3972,-.7346;2.7105,-1.1795,-1.1;2.2126,-.5746,-2.0885;1.157,.1217,-2.0682;-1.2234,-3.7262,-.7277;-2.2982,-3.5041,-.6418;-1.0134,-3.9831,-1.7808;-.9518,-4.5827,-.0942;-1.0021,.0044,3.8173;-.8321,1.0246,4.2028;-2.0856,-.1172,3.6618;-.6356,-.7245,4.5537;3.2087,2.9668,1.1957;3.1677,3.7105,.3851;2.7509,3.42,2.0924;4.2509,2.7032,1.4252;2.948,-.6533,-3.3959;2.2379,-.658,-4.2364;3.5852,.2432,-3.4943;3.5909,-1.5446,-3.4271;-3.058,.6233,-.7633;-3.6568,-.4867,-1.3891;-3.6482,1.0971,.4223;-4.7841,-1.1045,-.8574;-3.2142,-.8734,-2.311;-4.7762,.4781,.9569;-3.2269,1.9507,.9482;-5.3497,-.6259,.3255;-5.2229,-1.9668,-1.3687;-5.2123,.867,1.8823;-6.2349,-1.1083,.7509;-1.6695,.7232,-2.3936;-1.3596,3.2546,-.0008;-1.3736,2.7106,.9547;-.5497,3.9985,.0459;-2.3174,3.7985,-.1074;-.2541,2.8875,-2.245;.7316,3.1508,-1.827;-.1133,2.1812,-3.0765;-.7042,3.8187,-2.6412; 0.2125177 0.1343426 0.1274955 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1312,.3437,-.309;-1.8796,1.1962,-1.4243;-1.1545,2.3395,-1.171;-.7739,.4573,1.5192;-.2783,-.1537,2.5094;.7714,-.8519,2.4858;1.7979,-1.0548,.7253;2.8798,.6218,1.1577;2.4182,1.7459,.8236;1.3284,1.9353,.2136;.6627,-2.6886,.2711;-.4137,-2.5148,-.3627;-.8666,-1.3978,-.7366;2.7125,-1.1739,-1.1028;2.2129,-.5686,-2.0903;1.1565,.1263,-2.0683;-1.2182,-3.7273,-.7339;-2.2932,-3.5082,-.6424;-1.0123,-3.9794,-1.7889;-.9419,-4.5856,-.105;-1,-.0061,3.8181;-.8287,1.0126,4.207;-2.0838,-.1259,3.6625;-.6342,-.7378,4.552;3.204,2.9687,1.2018;3.1621,3.7139,.3928;2.7451,3.4193,2.0993;4.2466,2.7062,1.4312;2.9472,-.6449,-3.3984;2.2363,-.65,-4.2383;3.583,.2527,-3.4966;3.5915,-1.5352,-3.4311;-3.0593,.6224,-.7608;-3.6618,-.4833,-1.3908;-3.646,1.0918,.4282;-4.7897,-1.1008,-.86;-3.2219,-.8664,-2.3155;-4.7744,.4728,.9621;-3.2212,1.9416,.9575;-5.3518,-.6266,.3263;-5.2316,-1.9595,-1.3746;-5.2076,.8581,1.8903;-6.2374,-1.1089,.751;-1.671,.724,-2.3913;-1.364,3.2551,.0021;-1.373,2.7112,.9578;-.5573,4.0026,.0466;-2.3246,3.7945,-.1021;-.258,2.8894,-2.2422;.7279,3.1529,-1.8244;-.1171,2.1835,-3.074;-.7085,3.8206,-2.6378; 0.2124686 0.1342722 0.1274551 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1317,.3436,-.3106;-1.8771,1.1968,-1.4282;-1.1491,2.3385,-1.1749;-.7845,.4511,1.5124;-.2945,-.1625,2.5036;.7567,-.8587,2.4846;1.7953,-1.0537,.7302;2.8705,.6242,1.1739;2.4092,1.748,.8384;1.3233,1.9365,.2213;.6672,-2.6892,.2647;-.4063,-2.5162,-.3742;-.8596,-1.3992,-.7478;2.7209,-1.1657,-1.0929;2.2248,-.5607,-2.0822;1.1666,.1318,-2.0649;-1.2058,-3.7296,-.7534;-2.2817,-3.5145,-.6642;-.9961,-3.9764,-1.809;-.9287,-4.5899,-.1275;-1.026,-.0215,3.8075;-.8646,.9979,4.1988;-2.1079,-.1484,3.644;-.6605,-.7518,4.5429;3.1905,2.9717,1.2233;3.1579,3.715,.412;2.7207,3.4245,2.114;4.2303,2.7101,1.4655;2.9662,-.6336,-3.3866;2.2601,-.6343,-4.2304;3.6044,.263,-3.4778;3.6091,-1.525,-3.4187;-3.0574,.6238,-.7653;-3.6492,-.4928,-1.3863;-3.6544,1.1026,.4149;-4.7758,-1.112,-.8549;-3.2013,-.8835,-2.3038;-4.7816,.4821,.9493;-3.24,1.9622,.9364;-5.3479,-.6285,.3228;-5.2091,-1.9794,-1.3624;-5.223,.8751,1.8703;-6.2325,-1.112,.748;-1.6687,.7238,-2.3948;-1.3564,3.2553,-.0022;-1.3931,2.7099,.9517;-.5348,3.9851,.057;-2.3032,3.816,-.1212;-.2527,2.887,-2.2469;.7337,3.1491,-1.8296;-.1129,2.1813,-3.0789;-.702,3.8191,-2.642; 0.2124743 0.1344105 0.1275055 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1317,.3436,-.3107;-1.8765,1.1955,-1.4279;-1.1492,2.3379,-1.176;-.7803,.4568,1.514;-.2895,-.1556,2.5056;.7604,-.8537,2.486;1.7955,-1.0536,.7301;2.8734,.6241,1.1683;2.413,1.7477,.8308;1.3263,1.9362,.2152;.6647,-2.6887,.27;-.4098,-2.5158,-.3673;-.8628,-1.3991,-.742;2.7173,-1.1706,-1.0947;2.2197,-.5676,-2.0845;1.1624,.1262,-2.0666;-1.212,-3.7289,-.7418;-2.2874,-3.5126,-.6486;-1.0067,-3.977,-1.7979;-.9333,-4.5887,-.1159;-1.018,-.0102,3.8108;-.8506,1.0085,4.2013;-2.1007,-.1318,3.6495;-.6545,-.7418,4.546;3.1961,2.9713,1.2124;3.1619,3.7138,.4005;2.729,3.4252,2.104;4.2364,2.7092,1.4521;2.9577,-.6454,-3.3905;2.2494,-.6489,-4.2325;3.5959,.2507,-3.4866;3.6002,-1.5371,-3.4212;-3.0568,.6231,-.7642;-3.6535,-.489,-1.3884;-3.6487,1.0981,.42;-4.7807,-1.1071,-.8568;-3.2093,-.877,-2.309;-4.7765,.4787,.9547;-3.2294,1.9532,.9449;-5.348,-.6271,.3246;-5.218,-1.9708,-1.367;-5.2138,.8686,1.8789;-6.2331,-1.1097,.75;-1.6687,.722,-2.3944;-1.3575,3.2558,-.0043;-1.3865,2.712,.9509;-.5405,3.9912,.05;-2.3086,3.8098,-.1199;-.2535,2.886,-2.2488;.7322,3.151,-1.8317;-.1118,2.1787,-3.0793;-.7046,3.8163,-2.6461; 0.2124535 0.1344025 0.1275338 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1318,.3436,-.3112;-1.8758,1.1959,-1.4284;-1.148,2.3381,-1.1769;-.7824,.4559,1.5126;-.2931,-.1575,2.5044;.7567,-.8558,2.4857;1.7947,-1.0537,.7311;2.871,.6241,1.1726;2.4113,1.7477,.8343;1.3258,1.9362,.2164;.6653,-2.6889,.2679;-.4086,-2.5159,-.3703;-.8617,-1.3991,-.7445;2.7192,-1.1689,-1.0923;2.2224,-.566,-2.0826;1.1647,.1271,-2.0658;-1.21,-3.729,-.7466;-2.2855,-3.5143,-.6505;-1.0069,-3.9736,-1.804;-.929,-4.5903,-.1238;-1.0234,-.013,3.8087;-.8565,1.0055,4.2001;-2.1059,-.1344,3.6457;-.661,-.7451,4.5439;3.1936,2.9714,1.2172;3.163,3.7127,.404;2.7233,3.427,2.1061;4.2329,2.709,1.4612;2.9623,-.6427,-3.3877;2.2552,-.6446,-4.2307;3.6013,.2531,-3.4817;3.6042,-1.5348,-3.4185;-3.056,.6236,-.7648;-3.6507,-.4905,-1.3875;-3.6501,1.1001,.4178;-4.7777,-1.1091,-.8561;-3.2048,-.8798,-2.3067;-4.7776,.4802,.9524;-3.2329,1.957,.9414;-5.347,-.6276,.3238;-5.2133,-1.9744,-1.3651;-5.2166,.8715,1.8753;-6.232,-1.1104,.7491;-1.6679,.7221,-2.3947;-1.3557,3.2564,-.0054;-1.3896,2.7127,.9496;-.5359,3.9886,.0514;-2.3042,3.8144,-.1236;-.2525,2.8858,-2.2501;.7333,3.1512,-1.8333;-.1109,2.1782,-3.0802;-.7038,3.8159,-2.6477; 0.2124471 0.1344351 0.1275484 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.132,.3437,-.3116;-1.8749,1.1967,-1.429;-1.1467,2.3387,-1.1774;-.7843,.4551,1.5113;-.2966,-.1592,2.5031;.7529,-.858,2.4853;1.7935,-1.0542,.7321;2.8688,.6235,1.177;2.4101,1.7472,.8376;1.3258,1.9359,.2176;.6653,-2.6893,.2654;-.408,-2.5159,-.3737;-.8611,-1.3988,-.7471;2.721,-1.1675,-1.0901;2.2253,-.5641,-2.0807;1.167,.1281,-2.065;-1.2089,-3.7287,-.752;-2.2843,-3.5159,-.6502;-1.0105,-3.968,-1.8114;-.9241,-4.5923,-.1343;-1.0284,-.0153,3.8066;-.8607,1.0026,4.1994;-2.1109,-.1351,3.6421;-.668,-.7487,4.5415;3.1919,2.9707,1.2218;3.1657,3.7104,.407;2.718,3.4287,2.1076;4.2298,2.7078,1.4709;2.9674,-.6392,-3.3845;2.2618,-.6391,-4.2289;3.6074,.2562,-3.4758;3.6087,-1.5318,-3.4157;-3.0552,.6243,-.7655;-3.6482,-.4913,-1.387;-3.6507,1.1018,.416;-4.7749,-1.1105,-.8556;-3.2011,-.8816,-2.3052;-4.778,.4814,.9505;-3.2352,1.96,.9387;-5.3457,-.6279,.3231;-5.209,-1.977,-1.3638;-5.2182,.8735,1.8726;-6.2305,-1.1112,.7484;-1.6671,.7228,-2.3953;-1.3542,3.2571,-.0059;-1.3909,2.7133,.9489;-.5328,3.9874,.0523;-2.3012,3.8173,-.1257;-.2513,2.8862,-2.2507;.7346,3.1515,-1.8341;-.11,2.1784,-3.0809;-.7026,3.8163,-2.6483; 0.2124501 0.1344713 0.1275676 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1322,.3439,-.3118;-1.874,1.1982,-1.4297;-1.1451,2.3396,-1.1772;-.7874,.453,1.5094;-.3014,-.1627,2.5013;.748,-.8617,2.4844;1.792,-1.0552,.7329;2.8661,.6221,1.1825;2.4082,1.7461,.843;1.3253,1.9354,.2208;.6653,-2.6899,.2612;-.4071,-2.5157,-.3791;-.86,-1.398,-.751;2.7235,-1.1652,-1.0874;2.2296,-.5604,-2.0781;1.1704,.1305,-2.0637;-1.2075,-3.7278,-.7606;-2.2828,-3.5175,-.6514;-1.0151,-3.9598,-1.8228;-.9178,-4.5947,-.1499;-1.0354,-.0203,3.8038;-.8673,.9968,4.1985;-2.1178,-.1388,3.6372;-.6769,-.7552,4.5381;3.1896,2.9693,1.2292;3.1692,3.7071,.4124;2.7109,3.4303,2.1109;4.2257,2.7056,1.4849;2.9752,-.632,-3.3801;2.2721,-.6282,-4.2265;3.6166,.2629,-3.4664;3.6156,-1.5252,-3.4124;-3.0544,.6254,-.7667;-3.6443,-.493,-1.3862;-3.6528,1.1051,.4124;-4.7705,-1.1129,-.8547;-3.195,-.8848,-2.3026;-4.7797,.484,.947;-3.2402,1.966,.9331;-5.344,-.6284,.3219;-5.2022,-1.9817,-1.3612;-5.2221,.8779,1.8671;-6.2284,-1.1123,.7472;-1.666,.7247,-2.3962;-1.3521,3.2575,-.0053;-1.3933,2.7128,.9489;-.5283,3.9848,.0557;-2.2968,3.8214,-.1271;-.2492,2.8871,-2.2501;.737,3.1509,-1.8334;-.1089,2.18,-3.081;-.6994,3.8181,-2.6469; 0.2124788 0.1345154 0.1275839 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1323,.344,-.3117;-1.874,1.1988,-1.4296;-1.1451,2.3401,-1.1766;-.7872,.4528,1.5096;-.3014,-.1633,2.5013;.7478,-.8625,2.4841;1.7919,-1.0556,.7326;2.8661,.6213,1.1827;2.4085,1.7454,.8435;1.3256,1.9351,.2213;.665,-2.6901,.2602;-.4075,-2.5155,-.3799;-.8604,-1.3976,-.7511;2.7235,-1.165,-1.0876;2.2298,-.5598,-2.0781;1.1703,.1308,-2.0637;-1.2084,-3.7271,-.7618;-2.2833,-3.5183,-.6464;-1.0213,-3.9549,-1.8258;-.9149,-4.5959,-.1556;-1.0353,-.021,3.8039;-.8648,.9951,4.1999;-2.1178,-.1369,3.6372;-.6783,-.7576,4.5372;3.1901,2.9685,1.2298;3.1719,3.7053,.412;2.71,3.4311,2.1099;4.2255,2.7043,1.4878;2.9758,-.6305,-3.3799;2.2732,-.6253,-4.2266;3.6179,.264,-3.4649;3.6156,-1.5241,-3.4129;-3.0543,.6258,-.7667;-3.6448,-.4919,-1.3868;-3.6521,1.1047,.4131;-4.7709,-1.112,-.8554;-3.196,-.8831,-2.3038;-4.779,.4834,.9476;-3.239,1.9651,.9343;-5.3439,-.6283,.3218;-5.203,-1.9803,-1.3624;-5.221,.8767,1.8682;-6.2282,-1.1123,.7471;-1.6659,.7256,-2.3961;-1.3523,3.2576,-.0044;-1.3921,2.7127,.9498;-.5293,3.9858,.0562;-2.2977,3.8204,-.1253;-.2489,2.8878,-2.2491;.7374,3.1512,-1.8321;-.1086,2.1809,-3.0801;-.6988,3.819,-2.6456; 0.2124890 0.1345152 0.1275852 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1322,.3441,-.3115;-1.8742,1.1994,-1.4292;-1.1451,2.3405,-1.1756;-.7875,.4519,1.5096;-.3017,-.1647,2.5011;.7476,-.8638,2.4837;1.7919,-1.056,.7321;2.866,.6208,1.1831;2.4083,1.7451,.8445;1.3254,1.935,.2225;.6653,-2.6903,.2589;-.4072,-2.5155,-.3811;-.8602,-1.3974,-.7517;2.7238,-1.1643,-1.088;2.2301,-.5585,-2.0782;1.1705,.1317,-2.0636;-1.2083,-3.7268,-.7634;-2.2829,-3.5195,-.642;-1.0265,-3.9504,-1.8292;-.911,-4.5974,-.1617;-1.0356,-.023,3.8037;-.8635,.9922,4.2012;-2.1183,-.1369,3.6367;-.6799,-.7612,4.5361;3.1898,2.9681,1.2311;3.1741,3.7038,.4123;2.7079,3.4323,2.1094;4.2244,2.7036,1.492;2.9767,-.6282,-3.3798;2.2745,-.6211,-4.2268;3.6197,.2658,-3.4632;3.6157,-1.5223,-3.4137;-3.0545,.6262,-.7666;-3.6449,-.4913,-1.3872;-3.6524,1.1047,.4133;-4.7711,-1.1116,-.856;-3.1962,-.8822,-2.3043;-4.7792,.4832,.9475;-3.2393,1.9649,.9347;-5.344,-.6282,.3214;-5.2032,-1.9797,-1.3633;-5.2212,.8762,1.8683;-6.2284,-1.1124,.7464;-1.666,.7267,-2.396;-1.3523,3.2576,-.0031;-1.3921,2.7124,.9508;-.5293,3.9858,.0577;-2.2977,3.8204,-.1238;-.2486,2.8884,-2.2478;.7377,3.1513,-1.8305;-.1084,2.1819,-3.0791;-.6981,3.82,-2.6439; 0.2124988 0.1345115 0.1275786 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1322,.3441,-.3113;-1.8742,1.1997,-1.4287;-1.1452,2.3407,-1.1748;-.7873,.4514,1.5099;-.3014,-.1653,2.5012;.7481,-.8642,2.4835;1.7921,-1.0561,.7317;2.8663,.6207,1.1826;2.4084,1.745,.8445;1.3253,1.935,.2229;.6654,-2.6904,.2586;-.4071,-2.5155,-.3812;-.8602,-1.3974,-.7517;2.7236,-1.1641,-1.0886;2.2298,-.5581,-2.0786;1.1702,.1321,-2.0637;-1.2085,-3.7267,-.7634;-2.2828,-3.5205,-.6378;-1.0304,-3.9478,-1.8303;-.9085,-4.5983,-.1645;-1.035,-.024,3.8039;-.8616,.9906,4.2024;-2.1179,-.1364,3.6369;-.6802,-.7633,4.5356;3.19,2.968,1.2311;3.176,3.7027,.4114;2.7067,3.4335,2.1079;4.2239,2.7033,1.4939;2.9762,-.6275,-3.3802;2.274,-.6191,-4.2273;3.6201,.2659,-3.4629;3.6143,-1.5222,-3.4149;-3.0547,.6264,-.7664;-3.6451,-.491,-1.3873;-3.6526,1.1046,.4135;-4.7713,-1.1113,-.8564;-3.1962,-.8816,-2.3045;-4.7796,.4831,.9475;-3.2396,1.9647,.9352;-5.3444,-.6282,.321;-5.2034,-1.9792,-1.364;-5.2217,.8758,1.8683;-6.2288,-1.1125,.7458;-1.666,.7272,-2.3956;-1.3524,3.2576,-.0021;-1.3923,2.7122,.9517;-.5294,3.9857,.0589;-2.2978,3.8205,-.1228;-.2485,2.8889,-2.2467;.7375,3.1521,-1.8291;-.1079,2.1824,-3.078;-.6982,3.8204,-2.643; 0.2125010 0.1345058 0.1275709 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.132,.3441,-.3108;-1.8747,1.1996,-1.4273;-1.1464,2.341,-1.1732;-.7838,.4534,1.5123;-.2961,-.1626,2.5032;.753,-.862,2.484;1.7931,-1.0562,.7302;2.8695,.6202,1.1771;2.4113,1.7446,.8394;1.3268,1.9348,.2202;.6641,-2.6901,.2614;-.4094,-2.5152,-.3768;-.8622,-1.3972,-.748;2.7205,-1.1668,-1.092;2.2251,-.5613,-2.0816;1.1664,.1302,-2.065;-1.2127,-3.7262,-.7557;-2.2863,-3.5205,-.6229;-1.0416,-3.9456,-1.8241;-.9087,-4.5985,-.1599;-1.0267,-.0193,3.8074;-.8479,.9942,4.2065;-2.1103,-.127,3.6426;-.6733,-.7606,4.5378;3.1944,2.9675,1.2233;3.1811,3.7004,.402;2.7119,3.4356,2.0991;4.2281,2.7021,1.4864;2.9686,-.6328,-3.3848;2.2646,-.6237,-4.2303;3.614,.2593,-3.4695;3.605,-1.5287,-3.4202;-3.0552,.6262,-.7651;-3.6484,-.4881,-1.3886;-3.6503,1.1016,.4174;-4.7751,-1.108,-.8582;-3.2014,-.8768,-2.3076;-4.7777,.4805,.9509;-3.2344,1.9587,.9417;-5.3457,-.6275,.3215;-5.2095,-1.9734,-1.3679;-5.2176,.8709,1.8738;-6.2304,-1.1114,.746;-1.6665,.7275,-2.3944;-1.3544,3.2573,-.0003;-1.3889,2.7119,.9538;-.5345,3.9893,.0581;-2.3027,3.8157,-.118;-.2499,2.8899,-2.2449;.7353,3.1552,-1.8268;-.1071,2.1829,-3.0754;-.701,3.8202,-2.6423; 0.2124886 0.1344719 0.1275594 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.132,.3441,-.3106;-1.875,1.1998,-1.427;-1.1466,2.3409,-1.1724;-.7844,.4517,1.5123;-.2965,-.1645,2.503;.753,-.8633,2.4836;1.7934,-1.0561,.7299;2.8692,.6204,1.1778;2.4106,1.7448,.8408;1.326,1.935,.2217;.6649,-2.6902,.2602;-.4084,-2.5153,-.3783;-.8612,-1.3973,-.7495;2.721,-1.1655,-1.0923;2.2257,-.5596,-2.0816;1.1669,.1318,-2.0648;-1.2116,-3.7264,-.7574;-2.2849,-3.5218,-.6212;-1.0435,-3.9434,-1.8267;-.9053,-4.5996,-.1641;-1.0273,-.0224,3.8072;-.8484,.9908,4.2073;-2.1109,-.1296,3.6421;-.6741,-.7643,4.537;3.1933,2.9678,1.2251;3.1827,3.6994,.4025;2.7085,3.4377,2.0987;4.2262,2.7024,1.4914;2.9693,-.6303,-3.3848;2.2656,-.6191,-4.2305;3.6161,.261,-3.468;3.6046,-1.527,-3.4212;-3.0556,.6262,-.765;-3.6478,-.4891,-1.3879;-3.6521,1.1027,.4163;-4.7745,-1.1091,-.8576;-3.1999,-.8784,-2.3061;-4.7795,.4815,.9497;-3.2373,1.9609,.9398;-5.3462,-.6277,.3211;-5.208,-1.9753,-1.3667;-5.2204,.8727,1.8717;-6.231,-1.1117,.7455;-1.6667,.7279,-2.3942;-1.3544,3.2567,.001;-1.3909,2.7106,.9546;-.5333,3.9871,.0609;-2.3016,3.8169,-.1174;-.2502,2.8905,-2.2439;.735,3.1556,-1.8256;-.1074,2.184,-3.0748;-.7014,3.8209,-2.6408; 0.2124931 0.1344599 0.1275423 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.132,.3441,-.3106;-1.8751,1.1996,-1.4271;-1.1468,2.3408,-1.1723;-.7848,.4509,1.5122;-.2967,-.1651,2.5029;.753,-.8636,2.4836;1.7935,-1.056,.7299;2.869,.6206,1.1783;2.4103,1.745,.8413;1.3257,1.935,.2223;.6652,-2.6901,.2599;-.4079,-2.5154,-.3789;-.8606,-1.3974,-.7505;2.7213,-1.1651,-1.0923;2.2261,-.559,-2.0815;1.1673,.1325,-2.0646;-1.2113,-3.7264,-.7577;-2.2844,-3.523,-.6167;-1.0476,-3.9406,-1.8283;-.902,-4.6006,-.1677;-1.0274,-.0231,3.8072;-.8471,.9895,4.2081;-2.1112,-.1286,3.642;-.6753,-.7661,4.5364;3.1929,2.9681,1.2253;3.1859,3.6975,.4007;2.7056,3.441,2.0958;4.2247,2.7023,1.4956;2.9698,-.6296,-3.3846;2.2662,-.6162,-4.2305;3.6182,.2606,-3.4667;3.6035,-1.5273,-3.4219;-3.0557,.6261,-.7652;-3.6471,-.4901,-1.3872;-3.6533,1.1037,.4152;-4.7738,-1.1101,-.8569;-3.1985,-.8802,-2.3048;-4.7807,.4825,.9486;-3.2394,1.9627,.9379;-5.3465,-.6277,.321;-5.2066,-1.9771,-1.3654;-5.2225,.8746,1.8698;-6.2313,-1.1117,.7453;-1.6667,.7277,-2.3942;-1.3545,3.2562,.0014;-1.3918,2.7098,.9548;-.533,3.9861,.0619;-2.3013,3.817,-.1172;-.2503,2.8907,-2.2435;.7347,3.1562,-1.825;-.107,2.1843,-3.0744;-.7018,3.8209,-2.6405; 0.2124991 0.1344554 0.1275344 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1321,.3441,-.3108;-1.875,1.1996,-1.4275;-1.1465,2.3406,-1.1726;-.7855,.4504,1.5117;-.2977,-.1655,2.5026;.7522,-.8637,2.4836;1.7934,-1.0559,.7302;2.8685,.6207,1.1792;2.4098,1.7451,.8422;1.3253,1.9351,.223;.6653,-2.6901,.2598;-.4075,-2.5154,-.3796;-.86,-1.3975,-.7515;2.7217,-1.1648,-1.0917;2.2268,-.5586,-2.081;1.1681,.1329,-2.0643;-1.2108,-3.7264,-.7586;-2.2838,-3.5234,-.6166;-1.0479,-3.9399,-1.8294;-.9009,-4.601,-.1692;-1.0288,-.0236,3.8066;-.8484,.9889,4.2078;-2.1126,-.1289,3.641;-.6771,-.7668,4.5358;3.1923,2.9683,1.2262;3.1872,3.6966,.4006;2.7034,3.4426,2.0951;4.2234,2.7024,1.4988;2.971,-.6291,-3.3838;2.2678,-.6148,-4.2299;3.6202,.2605,-3.4652;3.6039,-1.5274,-3.4213;-3.0557,.6261,-.7655;-3.6459,-.4913,-1.3866;-3.6544,1.1048,.4138;-4.7725,-1.1114,-.8562;-3.1966,-.8821,-2.3034;-4.7816,.4835,.9473;-3.2415,1.965,.9356;-5.3462,-.6279,.3208;-5.2044,-1.9793,-1.3638;-5.2243,.8766,1.8678;-6.231,-1.1119,.7452;-1.6665,.7275,-2.3945;-1.3541,3.2561,.0011;-1.3931,2.7095,.9543;-.5315,3.9847,.0625;-2.2999,3.8184,-.1184;-.25,2.8905,-2.2439;.7349,3.156,-1.8253;-.1065,2.1841,-3.0747;-.7015,3.8207,-2.6409; 0.2125015 0.1344629 0.1275352 C18H24O8Rh2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1321,.3441,-.3108;-1.875,1.1996,-1.4275;-1.1465,2.3406,-1.1726;-.7855,.4504,1.5117;-.2977,-.1655,2.5026;.7522,-.8637,2.4836;1.7934,-1.0559,.7302;2.8685,.6207,1.1792;2.4098,1.7451,.8422;1.3253,1.9351,.223;.6653,-2.6901,.2598;-.4075,-2.5154,-.3796;-.86,-1.3975,-.7515;2.7217,-1.1648,-1.0917;2.2268,-.5586,-2.081;1.1681,.1329,-2.0643;-1.2108,-3.7264,-.7586;-2.2838,-3.5234,-.6166;-1.0479,-3.9399,-1.8294;-.9009,-4.601,-.1692;-1.0288,-.0236,3.8066;-.8484,.9889,4.2078;-2.1126,-.1289,3.641;-.6771,-.7668,4.5358;3.1923,2.9683,1.2262;3.1872,3.6966,.4006;2.7034,3.4426,2.0951;4.2234,2.7024,1.4988;2.971,-.6291,-3.3838;2.2678,-.6148,-4.2299;3.6202,.2605,-3.4652;3.6039,-1.5274,-3.4213;-3.0557,.6261,-.7655;-3.6459,-.4913,-1.3866;-3.6544,1.1048,.4138;-4.7725,-1.1114,-.8562;-3.1966,-.8821,-2.3034;-4.7816,.4835,.9473;-3.2415,1.965,.9356;-5.3462,-.6279,.3208;-5.2044,-1.9793,-1.3638;-5.2243,.8766,1.8678;-6.231,-1.1119,.7452;-1.6665,.7275,-2.3945;-1.3541,3.2561,.0011;-1.3931,2.7095,.9543;-.5315,3.9847,.0625;-2.2999,3.8184,-.1184;-.25,2.8905,-2.2439;.7349,3.156,-1.8253;-.1065,2.1841,-3.0747;-.7015,3.8207,-2.6409; 0.2125015 0.1344629 0.1275352 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 486 486 486 486 486 MxSgAt= 52 MxSgA2= 52. 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 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 487 487 487 487 487 MxSgAt= 52 MxSgA2= 52. 1 -3.80055673e-01 8.75180436e-01 6.29768152e-05 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 45 6 6 8 6 8 45 8 6 8 8 6 8 8 6 8 6 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 1 6 1 1 1 6 1 1 1 -0.014717963 0.012872962 -0.001891443 -0.006259403 -0.016162744 -0.000059137 0.004175159 0.014474374 0.008153910 0.002073485 -0.002240192 0.001854171 -0.006026779 -0.000703966 0.002001126 -0.000513646 0.000933695 -0.000083764 0.019123912 -0.010824414 0.002728688 -0.000534033 -0.001085679 -0.000704317 -0.002811880 0.006263793 0.001865016 0.003836425 -0.001292768 0.001158556 -0.000284137 0.000858092 0.000173646 -0.004862222 -0.001180853 -0.002920028 0.002214336 -0.003458268 -0.001090906 -0.000513514 -0.000658542 0.001312819 -0.002724892 0.004831620 -0.004214431 0.003943609 -0.001499475 -0.000796482 0.003023413 0.006903225 0.006979154 -0.008668858 -0.001710323 0.000456175 0.001470834 0.003242162 -0.008135416 0.004260398 -0.008018285 0.000532102 0.004269430 0.006066699 -0.006992933 0.000363960 0.004132031 0.007819887 -0.008529180 -0.001403187 -0.001476771 0.003863549 -0.008172015 0.000968072 -0.003184213 -0.006533585 -0.007197734 -0.003415384 0.008079446 -0.001322697 -0.002828618 -0.002855406 0.007971137 0.009004501 0.000936867 0.000548251 -0.004168191 -0.005637925 0.007412560 -0.005420047 0.001021516 -0.006939848 0.001799071 0.008112175 0.003095259 0.007848876 -0.003485142 -0.003165392 0.008340511 0.008412968 -0.003020225 -0.000438579 -0.000851484 -0.001010386 -0.001076196 -0.000798404 0.001428635 -0.000158918 0.000335730 -0.000178297 0.001745083 0.001450367 -0.007302736 0.000838879 0.000408025 -0.000066850 0.003089347 0.003158583 0.005764014 -0.000353573 -0.000133141 -0.000498345 -0.003498042 -0.004187974 -0.006401138 -0.001837180 -0.001910493 0.008045918 -0.005836387 -0.006006748 0.001597306 0.001486640 -0.000315721 -0.006823222 0.005819546 -0.002660332 -0.008141719 0.004445979 -0.002610225 0.006402254 -0.000512196 0.007391782 0.000833568 -0.007529359 -0.003054108 0.001443672 -0.006168017 -0.006140488 0.003426516 0.005855314 0.001816044 0.005126379 0.003598504 -0.002746796 -0.007402386 -0.003619354 0.006636530 -0.001262187 0.019123912 0.005195160 (Enter /opt/g16/l716.exe) Closed 1 1 1 -1521.09264506947 -1521.09265106475 -0.000005995284 -1521.09265116904 -0.000000104289 -1521.09265118822 -0.000000019178 -1521.09265119071 -0.000000002487 -1521.09265119213 -0.000000001429 -1521.09265119240 -0.000000000265 -1521.09265119252 -0.000000000117 -1521.09265119253 -0.000000000018 -1521.09265119256 -0.000000000030 -1521.09265119 10 1.369977945640e+03 -1.077353942646e+04 4.249615759444e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4026531840 LenX= 4026037098 LenY= 4025796508 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. (Enter /opt/g16/l716.exe) PT92210.200S 2026-08-11T22:40:02.000 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 Rh C C O C O Rh O C O O C O O C O C H H H C H H H C H H H C H H H C C C C H C H C H H H H C H H H C H H H 0.105207 -0.185885 -0.137088 -0.369764 0.345663 -0.374898 0.672976 -0.374539 0.347274 -0.375212 -0.375164 0.347169 -0.365185 -0.372333 0.347264 -0.377592 -0.323153 0.160096 0.169356 0.153639 -0.327204 0.169101 0.159312 0.154618 -0.323714 0.155176 0.170913 0.156151 -0.325168 0.160883 0.169211 0.153288 0.109312 -0.149035 -0.126799 -0.104857 0.089185 -0.108849 0.113309 -0.100637 0.099843 0.097547 0.100741 0.151097 -0.299176 0.176894 0.133586 0.153247 -0.293634 0.165194 0.160872 0.141762 -0.00000 -19.23007 -19.22983 -19.22972 -19.22957 -19.22950 -19.22914 -19.22883 -19.22772 -10.36603 -10.36585 -10.36558 -10.36420 -10.27299 -10.25171 -10.25101 -10.23822 -10.23715 -10.23703 -10.23664 -10.23650 -10.23373 -10.23305 -10.23278 -10.23199 -10.22337 -10.22168 -3.30983 -3.28327 -2.05368 -2.05170 -2.04733 -2.03032 -2.02957 -2.01091 -1.11621 -1.11001 -1.10922 -1.10883 -1.02338 -1.01794 -1.01616 -1.01594 -0.88247 -0.84282 -0.77887 -0.76264 -0.76185 -0.75978 -0.75823 -0.75783 -0.71211 -0.69895 -0.62390 -0.61394 -0.59042 -0.58119 -0.56831 -0.56724 -0.55711 -0.54833 -0.53895 -0.51911 -0.51231 -0.51011 -0.50738 -0.50159 -0.50065 -0.49846 -0.49111 -0.48661 -0.48597 -0.48272 -0.48128 -0.47589 -0.45375 -0.45003 -0.44361 -0.43075 -0.42248 -0.42169 -0.42055 -0.42038 -0.41591 -0.40541 -0.40248 -0.40189 -0.39869 -0.39369 -0.39243 -0.38688 -0.38370 -0.37364 -0.37143 -0.36963 -0.35420 -0.34783 -0.34551 -0.34340 -0.34177 -0.33944 -0.33781 -0.33581 -0.33528 -0.32213 -0.32110 -0.31388 -0.29095 -0.28629 -0.28295 -0.27749 -0.26729 -0.23716 -0.23364 -0.23234 -0.23003 -0.07803 -0.04761 -0.03643 -0.02501 -0.00268 0.00805 0.00912 0.01630 0.02267 0.03360 0.04627 0.05348 0.06163 0.06424 0.07912 0.09030 0.09310 0.09889 0.11469 0.12301 0.12474 0.12771 0.13045 0.13476 0.13807 0.14179 0.14479 0.14755 0.14942 0.15007 0.15356 0.15738 0.15758 0.16414 0.16793 0.17037 0.17851 0.18452 0.19077 0.19639 0.20084 0.20284 0.21839 0.22394 0.22823 0.23280 0.23618 0.24118 0.24284 0.25460 0.26254 0.28345 0.30196 0.30700 0.31289 0.32788 0.33692 0.34303 0.34536 0.35372 0.37545 0.37706 0.38031 0.38517 0.39181 0.39510 0.41460 0.41480 0.41784 0.42190 0.43301 0.44155 0.44419 0.44835 0.45312 0.45477 0.46630 0.46856 0.47600 0.48222 0.48518 0.48808 0.49424 0.49972 0.50960 0.51383 0.51868 0.52895 0.53253 0.53688 0.54574 0.54973 0.55068 0.55726 0.55746 0.56171 0.56344 0.56646 0.57954 0.59263 0.59862 0.61323 0.61687 0.61951 0.62638 0.63062 0.63351 0.64048 0.64496 0.64967 0.65321 0.66172 0.66555 0.66918 0.67270 0.68128 0.68683 0.68828 0.69209 0.69768 0.70066 0.70544 0.70877 0.71052 0.71222 0.71504 0.71698 0.72017 0.72272 0.72599 0.72872 0.73191 0.73392 0.73640 0.74125 0.74925 0.75096 0.75432 0.75646 0.75868 0.76191 0.77307 0.77705 0.78355 0.79166 0.79685 0.79770 0.80613 0.81690 0.82241 0.82424 0.83420 0.83839 0.84432 0.84641 0.85391 0.86060 0.87291 0.89366 0.90010 0.91295 0.92640 0.93595 0.95152 0.97879 1.00061 1.02341 1.02912 1.06621 1.06904 1.08228 1.09438 1.09931 1.11001 1.12344 1.13418 1.15955 1.16531 1.16975 1.17545 1.18198 1.20403 1.21612 1.22175 1.24694 1.25513 1.26212 1.26859 1.29082 1.29955 1.30824 1.32206 1.32698 1.34890 1.35574 1.37098 1.37977 1.39414 1.39745 1.43092 1.43770 1.45101 1.47510 1.47847 1.48370 1.49581 1.50340 1.51329 1.51614 1.52267 1.52918 1.54121 1.56137 1.57519 1.59999 1.60596 1.60797 1.61140 1.63262 1.63848 1.64954 1.65773 1.70067 1.71955 1.74322 1.75298 1.77190 1.78627 1.79139 1.79945 1.80637 1.81261 1.82560 1.82840 1.83153 1.84204 1.84880 1.86854 1.88166 1.89923 1.91205 1.92128 1.94059 1.95561 1.96577 1.98866 1.99037 2.00554 2.02343 2.03083 2.03608 2.04414 2.06888 2.08161 2.08834 2.09135 2.09911 2.11356 2.11560 2.13248 2.14151 2.14838 2.15208 2.15595 2.16379 2.17210 2.20123 2.21126 2.22127 2.22424 2.22829 2.25429 2.26145 2.27244 2.27568 2.28665 2.29943 2.31001 2.32118 2.33945 2.34919 2.37059 2.39494 2.43148 2.43450 2.43878 2.46255 2.47797 2.48319 2.52221 2.53374 2.55503 2.60984 2.62392 2.62421 2.62932 2.63217 2.63929 2.66436 2.66803 2.67725 2.68282 2.69301 2.71498 2.74399 2.74675 2.77318 2.77530 2.78496 2.78986 2.82079 2.83417 2.83608 2.85852 2.87843 2.93365 2.95701 2.96276 2.96532 2.97086 2.97472 3.07787 3.08291 3.08492 3.10515 3.18403 3.18483 3.19529 3.19697 3.19807 3.36850 3.37414 3.37638 3.39701 3.40504 3.57365 3.57604 3.57823 3.58528 3.65519 3.66337 3.66537 3.67473 48.69856 48.90740 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 Rh C C O C O Rh O C O O C O O C O C H H H C H H H C H H H C H H H C C C C H C H C H H H H C H H H C H H H 0.053242 -0.127773 -0.177453 -0.370771 0.352377 -0.375327 0.618783 -0.376842 0.354101 -0.365912 -0.378654 0.355982 -0.357400 -0.377352 0.353533 -0.373537 -0.347359 0.165985 0.171344 0.155726 -0.347580 0.171008 0.165033 0.156306 -0.344549 0.163020 0.173471 0.157182 -0.345954 0.160984 0.174139 0.158270 0.137902 -0.143727 -0.136269 -0.109065 0.101892 -0.114279 0.089269 -0.103733 0.107116 0.104910 0.109380 0.151352 -0.300728 0.217467 0.141341 0.157351 -0.282563 0.169534 0.161630 0.147196 -0.00000 -6.19985686e-01 9.81689817e-01 -3.39066454e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.5758 2.4952 -0.8618 3.0744 -186.6596 -176.5325 -176.0287 13.1261 -10.4169 8.7267 -6.9193 3.2077 3.7116 13.1261 -10.4169 8.7267 133.4608 -28.6995 28.5895 38.4361 -19.1059 16.6883 47.2478 -11.2336 0.8604 -2.7672 -6595.8281 -3251.0331 -2760.5551 160.2793 -149.6276 20.8384 17.6167 -73.8688 33.0518 -1591.2814 -1522.5353 -1019.5371 51.2431 56.2784 -17.7145 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1521.0926512 2.892E-9 3.834E-6 -10.1948506,2.3123523,7.8824983,10.3081854,-3.7966758,3.2885854 C01 [X(C18H24O8Rh2)] -0.8568109 0.8415653 0.143896 0.000000690 0.000000058 -0.000006370 -0.000008231 -0.000004146 0.000002935 0.000009380 0.000000888 0.000000815 -0.000009390 0.000000884 -0.000013401 -0.000001813 0.000003334 0.000003858 -0.000001191 0.000005857 0.000000385 -0.000002679 -0.000009056 0.000004703 -0.000000050 0.000000818 -0.000004488 0.000000304 -0.000002189 0.000001982 -0.000007307 -0.000003876 0.000008070 0.000007633 -0.000000682 0.000000947 -0.000006953 -0.000000293 -0.000001451 0.000001891 -0.000002494 0.000009706 -0.000000649 -0.000004097 0.000001890 -0.000000245 -0.000004622 0.000006283 0.000008561 0.000005275 -0.000004869 -0.000004088 -0.000000126 0.000002160 -0.000001671 0.000003190 0.000000163 0.000002898 -0.000002362 0.000000513 0.000000033 -0.000002693 0.000002530 -0.000003932 0.000002401 -0.000000538 -0.000000125 0.000002513 0.000002160 -0.000002720 0.000001692 0.000000748 -0.000003000 0.000000157 0.000001835 0.000001094 -0.000002700 0.000000820 0.000001740 0.000001487 -0.000001880 -0.000002305 0.000003203 -0.000000939 0.000000210 -0.000001230 0.000001564 0.000001470 -0.000004011 0.000000599 0.000002190 -0.000002437 -0.000000483 0.000002220 -0.000002678 0.000001112 0.000002490 -0.000003873 0.000000859 0.000004938 0.000007386 -0.000007783 0.000005318 -0.000005441 0.000006427 0.000004183 -0.000006620 0.000004898 0.000000425 0.000001982 -0.000003015 0.000002328 0.000000000 -0.000003476 -0.000001633 0.000004043 -0.000000986 -0.000003383 -0.000001841 -0.000004441 0.000000548 0.000002327 -0.000000415 0.000000020 0.000000389 -0.000001215 -0.000001737 0.000002706 -0.000000464 -0.000001774 0.000001806 -0.000000786 0.000001480 0.000000404 -0.000001319 0.000002903 0.000003403 0.000002583 -0.000001346 0.000003406 -0.000000788 -0.000001142 0.000001241 0.000000596 -0.000001097 0.000006648 -0.000001908 0.000008621 0.000004296 -0.000004212 0.000001505 0.000001311 0.000000415 -0.000009125 -0.000007648 -0.000003883 0.000002510 0.000002012 -0.000002445 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0878,.5536,-.0859;-2.2961,1.3518,-.7883;-1.8561,2.3471,.0564;-.9113,-.4851,1.4691;-.239,-1.3786,2.0595;.9471,-1.7037,1.7811;1.9147,-.7421,.2532;2.5696,.6842,1.5591;1.8343,1.6817,1.7885;.7066,1.894,1.2603;1.1971,-2.1348,-1.0544;.0835,-1.9224,-1.6067;-.646,-.9115,-1.4102;2.7493,.2965,-1.3017;2.0727,1.1796,-1.8961;.8794,1.4982,-1.6238;-.4182,-2.9316,-2.5994;-1.4998,-3.0862,-2.4619;-.2619,-2.5359,-3.6181;.1247,-3.882,-2.4986;-.9166,-2.0845,3.1989;-.9687,-1.3986,4.0623;-1.9488,-2.3449,2.9165;-.3582,-2.9855,3.489;2.3131,2.6936,2.7898;2.0893,3.7121,2.4367;1.7674,2.5394,3.7371;3.3902,2.5787,2.9764;2.7454,1.9474,-2.998;2.0186,2.2166,-3.7789;3.1532,2.8826,-2.5751;3.5756,1.3667,-3.4251;-3.2667,.2647,-.595;-3.5969,-.4952,-1.7334;-3.9043,-.0669,.6141;-4.5104,-1.5426,-1.6726;-3.1123,-.2568,-2.684;-4.8179,-1.117,.6769;-3.6881,.4865,1.5249;-5.125,-1.8632,-.4612;-4.7424,-2.1141,-2.5766;-5.2964,-1.3538,1.6322;-5.8426,-2.6872,-.4052;-2.0275,1.4909,-1.8418;-2.2217,2.4745,1.5085;-2.0785,1.5333,2.0586;-1.5996,3.2448,1.989;-3.2808,2.78,1.6082;-1.1755,3.552,-.5253;-.2653,3.7962,.0473;-.9058,3.4124,-1.5825;-1.8594,4.4194,-.4435; 150 C1[X(C18H24O8Rh2)] 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 0 549.9987999999998 AuxInfo=1/0/N:2;3;5;9;12;15;17;21;25;29;33;34;35;36;38;40;45;49;4;6;8;10;11;13;14;16;1;7;18;19;20;22;23;24;26;27;28;30;31;32;37;39;41;42;43;44;46;47;48;50;51;52/rA:52nRhC0C0O0C0O0RhO0C0O0O0C0O0O0C0O0C0H0H0H0C0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1321,.3441,-.3108;-1.875,1.1996,-1.4275;-1.1465,2.3406,-1.1726;-.7855,.4504,1.5117;-.2977,-.1655,2.5026;.7522,-.8637,2.4836;1.7934,-1.0559,.7302;2.8685,.6207,1.1792;2.4098,1.7451,.8422;1.3253,1.9351,.223;.6653,-2.6901,.2598;-.4075,-2.5154,-.3796;-.86,-1.3975,-.7515;2.7217,-1.1648,-1.0917;2.2268,-.5586,-2.081;1.1681,.1329,-2.0643;-1.2108,-3.7264,-.7586;-2.2838,-3.5234,-.6166;-1.0479,-3.9399,-1.8294;-.9009,-4.601,-.1692;-1.0288,-.0236,3.8066;-.8484,.9889,4.2078;-2.1126,-.1289,3.641;-.6771,-.7668,4.5358;3.1923,2.9683,1.2262;3.1872,3.6966,.4006;2.7034,3.4426,2.0951;4.2234,2.7024,1.4988;2.971,-.6291,-3.3838;2.2678,-.6148,-4.2299;3.6202,.2605,-3.4652;3.6039,-1.5274,-3.4213;-3.0557,.6261,-.7655;-3.6459,-.4913,-1.3866;-3.6544,1.1048,.4138;-4.7725,-1.1114,-.8562;-3.1966,-.8821,-2.3034;-4.7816,.4835,.9473;-3.2415,1.965,.9356;-5.3462,-.6279,.3208;-5.2044,-1.9793,-1.3638;-5.2243,.8766,1.8678;-6.231,-1.1119,.7452;-1.6665,.7275,-2.3945;-1.3541,3.2561,.0011;-1.3931,2.7095,.9543;-.5315,3.9847,.0625;-2.2999,3.8184,-.1184;-.25,2.8905,-2.2439;.7349,3.156,-1.8253;-.1065,2.1841,-3.0747;-.7015,3.8207,-2.6409; hexane opt TS Redundant internal coordinates found in file. (old form). 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 52 103 12 12 16 12 16 103 16 12 16 16 12 16 16 12 16 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 1 12 1 1 1 12 1 1 1 102.9048000 12.0000000 12.0000000 15.9949146 12.0000000 15.9949146 102.9048000 15.9949146 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 229.5000000 3.6000000 3.6000000 5.6000000 3.6000000 5.6000000 229.5000000 5.6000000 3.6000000 5.6000000 5.6000000 3.6000000 5.6000000 5.6000000 3.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /opt/g16/l101.exe) Structure from the checkpoint file: "/scratch/yumcao/23246/Gau-1789805.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 1 1 1 1 1 2 2 2 3 3 4 5 5 6 7 7 7 8 9 9 11 12 12 14 15 15 16 17 17 17 21 21 21 25 25 25 29 29 29 33 33 34 34 35 35 36 36 38 38 40 45 45 45 49 49 49 4 7 10 13 16 3 33 44 45 49 5 6 21 7 8 11 14 9 10 25 12 13 17 15 16 29 51 18 19 20 22 23 24 26 27 28 30 31 32 34 35 36 37 38 39 40 41 40 42 43 46 47 48 50 51 52 2.0432 2.4091 2.0591 2.0522 2.0476 1.3775 1.47 1.0961 1.5029 1.5012 1.2645 1.261 1.5018 2.0482 2.0418 2.0407 2.0477 1.2602 1.2632 1.502 1.261 1.2621 1.5018 1.2614 1.2647 1.5021 2.6178 1.1012 1.104 1.0992 1.1039 1.1014 1.099 1.101 1.104 1.0992 1.1003 1.1044 1.0995 1.408 1.4066 1.3911 1.0933 1.3933 1.0874 1.3957 1.0943 1.3952 1.0944 1.0941 1.0995 1.1006 1.1068 1.1027 1.1 1.1076 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 4 4 4 7 7 7 10 13 3 3 33 2 2 45 1 4 4 6 5 1 1 1 1 6 6 8 11 7 8 8 10 1 7 11 11 13 1 7 14 14 16 1 1 15 12 12 12 18 18 19 5 5 5 22 22 23 9 9 9 26 26 27 15 15 15 30 30 31 2 2 34 33 33 36 33 33 38 34 34 40 35 35 40 36 36 38 3 3 3 46 46 47 3 3 3 50 50 51 16 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 5 5 6 7 7 7 7 7 7 7 7 8 9 9 9 10 11 12 12 12 13 14 15 15 15 16 16 16 17 17 17 17 17 17 21 21 21 21 21 21 25 25 25 25 25 25 29 29 29 29 29 29 33 33 33 34 34 34 35 35 35 36 36 36 38 38 38 40 40 40 45 45 45 45 45 45 49 49 49 49 49 49 51 7 10 13 10 13 16 16 16 33 44 44 45 49 49 5 6 21 21 7 6 8 11 14 8 11 14 14 9 10 25 25 9 12 13 17 17 12 15 16 29 29 15 51 51 18 19 20 19 20 20 22 23 24 23 24 24 26 27 28 27 28 28 30 31 32 31 32 32 34 35 35 36 37 37 38 39 39 40 41 41 40 42 42 38 43 43 46 47 48 47 48 48 50 51 52 51 52 52 49 87.3908 89.3616 91.0649 86.4112 86.1566 87.777 90.4847 88.4624 131.65 114.7921 112.4586 125.1685 119.1572 114.6231 120.0197 125.3893 116.5196 118.0823 119.211 87.9858 88.9074 89.1161 87.6551 90.1369 89.5144 90.0329 90.1653 118.8262 125.2955 117.9407 116.7515 120.5548 118.4386 125.2497 118.1207 116.6199 121.0043 119.6273 125.5151 117.6027 116.8614 119.4221 90.1938 146.199 109.8753 108.7708 110.8183 107.7317 110.6279 108.9384 108.8253 109.8449 110.8785 107.6505 109.0755 110.4883 110.1567 108.6864 110.8024 107.6932 110.5083 108.9118 110.4759 108.4985 110.677 107.9737 110.6346 108.492 116.593 125.9166 117.483 121.6712 118.7718 119.5543 120.906 120.658 118.4339 120.0014 119.7569 120.2416 120.7086 119.2832 120.0082 119.2267 120.4135 120.3593 112.2802 110.0992 110.0692 107.8926 108.4113 107.9611 110.5334 112.4382 108.663 108.957 107.3321 108.7714 105.9721 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A100 A101 A102 A103 A104 A105 A106 A107 4 10 6 8 4 10 6 8 1 1 7 7 1 1 7 7 16 13 14 11 16 13 14 11 7 4 1 1 7 4 1 1 -1 -1 -1 -1 -2 -2 -2 -2 175.1677 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 180.4265 175.6409 178.0235 179.851 187.4603 180.2532 180.2794 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 7 10 13 4 4 4 4 10 10 10 10 13 13 13 13 16 16 16 16 4 7 16 4 7 16 7 7 10 10 13 13 33 33 44 44 3 3 44 44 2 2 2 49 49 49 2 2 2 45 45 45 1 1 4 21 4 4 4 6 6 6 5 5 5 1 6 14 1 6 14 1 8 11 7 7 8 25 8 8 8 10 10 10 7 7 11 17 11 11 11 13 13 13 7 7 14 14 29 29 14 14 14 16 16 16 1 15 2 2 35 35 2 2 34 34 33 33 37 37 33 33 39 39 34 34 41 41 35 35 42 42 3 50 52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 7 7 7 8 8 9 9 9 9 9 9 9 9 11 11 12 12 12 12 12 12 12 12 14 14 15 15 15 15 15 15 15 15 15 15 16 16 33 33 33 33 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 38 38 38 38 49 49 49 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 13 13 13 16 16 16 16 16 16 3 3 3 3 33 33 33 33 45 45 45 45 45 45 49 49 49 49 49 49 5 5 6 6 21 21 21 21 21 21 7 7 7 8 8 8 11 11 11 14 14 14 9 9 10 10 25 25 25 25 25 25 12 12 13 13 17 17 17 17 17 17 15 15 16 16 16 16 29 29 29 29 29 29 51 51 34 34 34 34 35 35 35 35 36 36 36 36 38 38 38 38 40 40 40 40 40 40 40 40 51 51 51 5 5 5 6 8 11 14 6 8 11 14 6 8 11 14 6 8 11 14 9 9 9 12 12 12 15 51 15 51 15 51 45 49 45 49 34 35 34 35 46 47 48 46 47 48 50 51 52 50 51 52 6 21 7 7 22 23 24 22 23 24 1 8 11 9 9 9 12 12 12 15 15 15 10 25 1 1 26 27 28 26 27 28 13 17 1 1 18 19 20 18 19 20 16 29 1 51 1 51 30 31 32 30 31 32 49 49 36 37 36 37 38 39 38 39 40 41 40 41 40 42 40 42 38 43 38 43 36 43 36 43 16 16 16 -0.5987 -87.0351 85.5046 0.3602 -89.8153 89.9054 -179.893 89.8837 -0.2918 179.4288 -90.3695 -90.8836 178.9409 -1.3385 88.8632 -179.4908 90.3337 -89.9457 0.256 87.4559 0.0304 -87.7117 -85.6291 1.6838 89.5583 -0.5624 -163.4897 85.8272 -77.1002 -86.7745 110.2981 5.7725 -161.8448 172.6694 5.0522 172.9332 -6.0499 5.8008 -173.1823 49.7676 169.9985 -71.1012 -142.1205 -21.8895 97.0108 -134.3004 -12.2962 108.1649 56.8177 178.822 -60.717 0.5881 179.4863 -0.141 -179.0236 -73.3295 44.291 166.6977 105.6524 -136.7271 -14.3204 -0.263 88.6389 -89.3956 0.6647 -87.3182 88.3187 1.525 89.5181 -86.1272 -0.0477 -88.9528 89.0609 -0.8628 177.8221 0.5131 -178.1858 139.5337 -102.697 16.9399 -41.6684 76.101 -164.2622 -0.6556 178.1662 -1.004 -179.8417 139.3031 -102.9928 16.7397 -41.7731 75.931 -164.3365 -0.4048 177.8788 0.7191 148.8668 -177.5759 -29.4282 147.2293 -94.5892 24.3412 -34.3367 83.8448 -157.2248 35.7717 -116.8625 -179.5465 1.0516 -0.4748 -179.8767 179.5418 -0.9922 0.5668 -179.9672 -0.0063 -179.8715 179.391 -0.4741 -0.1835 179.8351 -179.6612 0.3574 0.4054 -179.8494 -179.7302 0.0151 -0.3128 179.9418 179.6686 -0.0768 -64.9189 57.9754 174.6826 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically def2SVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 460 A 460 856 490 115 115 3632.9241281801 52 52 52 1.00e+00 60 F IExCor= 1009 DFT=T Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0710579922 PCM UFF Total charges None Matrix inversion Dichloromethane 8.930000 2.028346 C18H24O8Rh2 C1 1 C1 1 C1 1 0.2125015 0.1344629 0.1275352 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 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 487 487 487 487 487 MxSgAt= 52 MxSgA2= 52. 1 Closed 1 1 1 -1521.09265119252 -1521.09265119 1 1.369977945670e+03 -1.077353942534e+04 4.249615758293e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4026531840 LenX= 4026037098 LenY= 4025796508 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. Using compressed storage, NAtomX= 52. Will process 53 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00