Gaussian 16 GINC-ART ANDREA NEW-compound opt 6-31G** ES64L-G16RevA.03 29-Jun-2019 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 74 74 (6D, 7F) 6-31G(d,p) RB3LYP 6-31G(d,p) FOpt #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) NoSymm Int=UltraFine Freq=NoRaman SCF=XQC Test 430.22069999999974 5 1 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;10;11;12;13;14;1;2;3;4;5;6;7;8;9;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74/rA:74nO0O0O0O0O0O0O0O0O0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.278,.856,.4184;1.3281,.2231,-.559;.0859,3.4021,-1.8079;-3.5805,.5749,-.0639;3.4581,-.6662,-1.0818;-1.6948,-.075,2.9969;-3.1878,-3.0625,-.4942;3.127,-3.4409,1.3095;-4.3429,.4205,-2.6781;-.3178,4.3683,1.0215;2.4682,3.6946,-.0203;.0806,-1.8346,-2.1171;-2.7581,-2.7574,2.3582;5.6353,-.0434,.5943;-.9413,2.1904,.0321;1.4012,1.6212,-.8467;-.0113,2.1218,-1.1918;-.3252,2.9211,1.2404;2.0418,2.3457,.3527;1.0834,2.3833,1.557;-2.5997,.7908,.9511;2.0923,-.5365,-1.4931;-2.693,-.31,2.0099;1.4766,-1.9276,-1.6992;-2.5221,-1.6955,1.373;-3.5029,-1.8579,.1998;-3.4114,-.6632,-.7631;1.5942,-2.761,-.4229;3.0495,-2.7955,.0445;3.6207,-1.3769,.1508;-4.4884,-.7139,-1.8438;5.1122,-1.3959,.4728;.1374,4.0802,-1.1303;-2.0813,-.166,3.8709;-3.0055,-3.7592,.1406;3.1193,-4.3926,1.1842;-4.2421,1.206,-2.1355;-.3154,4.8436,1.9127;.5082,4.6258,.5004;-1.1411,4.6342,.5004;2.6395,4.2365,.8146;3.316,3.6407,-.5665;1.7434,4.1378,-.5665;-.5132,-1.795,-1.3011;-.0505,-.9994,-2.6697;-.1601,-2.645,-2.6697;-2.6736,-2.377,3.29;-3.6866,-3.1341,2.2313;-2.0766,-3.4919,2.2313;5.7276,.1953,1.5713;6.5398,.0091,.1479;5.0015,.6041,.1479;-1.8615,2.702,-.25;2.0448,1.753,-1.7165;-.4622,1.462,-1.933;-.9569,2.78,2.1174;2.9574,1.8288,.6401;1.5197,3.095,2.2579;.9421,1.3438,1.8529;-2.7972,1.7893,1.3412;2.1035,.069,-2.3994;-3.6429,-.2726,2.5432;1.9879,-2.4297,-2.5205;-1.4913,-1.8152,1.0395;-4.5266,-1.9704,.5567;-2.4118,-.6577,-1.1976;1.0305,-2.2348,.3474;1.3273,-3.7832,-.691;3.6533,-3.4002,-.6322;3.0557,-.8348,.9091;-5.46,-.6029,-1.3624;-4.2914,-1.5758,-2.4813;5.6236,-1.8321,-.3852;5.2251,-1.8438,1.4601; g16 Output=mol.log NProcShared=16 Mem=32Gb Chk=mol #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3 4//1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 NEW-compound opt 6-31G** 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 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 16 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 28 29 29 30 30 31 31 32 32 15 21 16 22 17 33 21 27 22 30 23 34 26 35 29 36 31 37 18 38 39 40 19 41 42 43 24 44 45 46 25 47 48 49 32 50 51 52 17 18 53 17 19 54 55 20 56 20 57 58 59 23 60 24 61 25 62 28 63 26 64 27 65 31 66 29 67 68 30 69 32 70 71 72 73 74 1.4294 1.4265 1.4293 1.426 1.4241 0.96 1.4279 1.4319 1.4323 1.4321 1.4233 0.96 1.4255 0.96 1.4222 0.96 1.4157 0.96 1.4637 1.01 1.01 1.01 1.463 1.01 1.01 1.01 1.4602 1.01 1.01 1.01 1.4676 1.01 1.01 1.01 1.4552 1.01 1.01 1.01 1.5387 1.5406 1.09 1.5378 1.5407 1.09 1.09 1.5407 1.09 1.5396 1.09 1.09 1.09 1.5302 1.09 1.5352 1.09 1.5344 1.09 1.5288 1.09 1.5378 1.09 1.5372 1.09 1.5266 1.09 1.5289 1.09 1.09 1.533 1.09 1.526 1.09 1.09 1.09 1.09 1.09 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 15 16 17 21 22 23 26 29 31 18 18 18 38 38 39 19 19 19 41 41 42 24 24 24 44 44 45 25 25 25 47 47 48 32 32 32 50 50 51 1 1 1 17 17 18 2 2 2 17 17 19 3 3 3 15 15 16 10 10 10 15 15 20 11 11 11 16 16 20 18 18 18 19 19 58 1 1 1 4 4 23 2 2 2 5 5 24 6 6 6 21 21 25 12 12 12 22 22 28 13 13 13 23 23 26 7 7 7 25 25 27 4 4 4 26 26 31 24 24 24 29 29 67 8 8 8 28 28 30 5 5 5 29 29 32 9 9 9 27 27 71 14 14 14 30 30 73 1 2 3 4 5 6 7 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 21 22 33 27 30 34 35 36 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 47 48 49 48 49 49 50 51 52 51 52 52 17 18 53 18 53 53 17 19 54 19 54 54 15 16 55 16 55 55 15 20 56 20 56 56 16 20 57 20 57 57 19 58 59 58 59 59 4 23 60 23 60 60 5 24 61 24 61 61 21 25 62 25 62 62 22 28 63 28 63 63 23 26 64 26 64 64 25 27 65 27 65 65 26 31 66 31 66 66 29 67 68 67 68 68 28 30 69 30 69 69 29 32 70 32 70 70 27 71 72 71 72 72 30 73 74 73 74 74 111.2129 111.2104 109.4714 113.3738 113.6019 109.4712 109.4713 109.4715 109.4713 109.4714 109.471 109.4714 109.4711 109.4709 109.4715 109.4709 109.4712 109.4711 109.4718 109.4714 109.4711 109.4714 109.4712 109.4711 109.4713 109.4715 109.4708 109.4715 109.4711 109.4712 109.471 109.4712 109.4714 109.4712 109.471 109.4713 109.4714 109.4713 109.4711 108.4039 108.966 108.0108 113.7837 108.9877 108.5413 108.4589 108.9381 108.0032 113.7985 108.8993 108.594 110.1988 109.0892 106.1572 113.0277 108.5326 109.6036 110.7124 111.7929 104.5529 111.1762 109.749 108.6207 110.8706 110.9984 105.0485 111.1983 109.3615 109.1608 114.6411 105.6761 105.6763 105.6487 105.6485 120.0001 112.2031 110.3505 105.0508 109.9504 105.5687 113.5981 111.787 110.8361 104.7284 109.8127 106.2155 113.3215 108.5595 111.027 105.4417 110.8282 111.529 109.3364 111.3551 110.3152 105.1987 110.5509 109.2933 109.9914 110.9025 109.461 106.1376 109.9372 109.3598 110.9884 108.6441 109.7948 106.2477 110.9689 111.1075 109.954 111.0455 106.9227 107.3748 112.0644 107.9501 111.4068 109.9214 106.6814 106.6818 106.6836 106.6834 120.0001 109.5128 109.7523 105.679 110.7928 110.4896 110.4856 110.9319 107.384 107.0463 111.5492 108.378 111.4719 108.5471 105.683 105.6831 108.228 108.228 120.0002 110.9399 105.6077 105.6078 107.3049 107.3044 119.9999 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 21 21 21 15 15 15 22 22 22 16 16 16 33 33 33 27 27 27 21 21 21 30 30 30 22 22 22 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 1 1 1 18 18 18 53 53 53 1 1 1 17 17 17 53 53 53 2 2 2 19 19 19 54 54 54 2 2 2 17 17 17 54 54 54 10 10 10 15 15 15 56 56 56 11 11 11 16 16 16 57 57 57 1 1 1 4 4 4 60 60 60 2 2 2 5 5 5 61 61 61 6 6 6 21 21 21 62 62 62 12 12 12 22 22 22 63 63 63 13 13 13 23 23 23 64 64 64 7 7 7 25 25 25 65 65 65 4 4 4 26 26 26 66 66 66 24 24 24 67 67 67 68 68 68 8 8 8 28 28 28 69 69 69 5 5 5 29 29 29 70 70 70 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 15 15 15 21 21 21 16 16 16 22 22 22 17 17 17 21 21 21 27 27 27 22 22 22 30 30 30 23 23 23 26 26 26 29 29 29 31 31 31 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 32 32 32 32 32 32 32 32 32 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 28 28 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 31 31 31 31 31 31 31 31 31 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 17 18 53 4 23 60 17 19 54 5 24 61 15 16 55 1 23 60 26 31 66 2 24 61 29 32 70 21 25 62 25 27 65 28 30 69 27 71 72 15 20 56 15 20 56 15 20 56 16 20 57 16 20 57 16 20 57 22 28 63 22 28 63 22 28 63 23 26 64 23 26 64 23 26 64 30 73 74 30 73 74 30 73 74 3 16 55 3 16 55 3 16 55 10 20 56 10 20 56 10 20 56 3 15 55 3 15 55 3 15 55 11 20 57 11 20 57 11 20 57 19 58 59 19 58 59 19 58 59 18 58 59 18 58 59 18 58 59 6 25 62 6 25 62 6 25 62 12 28 63 12 28 63 12 28 63 13 26 64 13 26 64 13 26 64 29 67 68 29 67 68 29 67 68 7 27 65 7 27 65 7 27 65 4 31 66 4 31 66 4 31 66 9 71 72 9 71 72 9 71 72 8 30 69 8 30 69 8 30 69 5 32 70 5 32 70 5 32 70 14 73 74 14 73 74 14 73 74 -146.871 88.8122 -28.9176 88.2813 -148.7312 -25.9198 117.1905 -118.4568 -0.6838 87.5723 -149.561 -27.0115 40.2233 -84.4144 157.558 61.7575 -61.4553 175.6408 59.923 -177.5441 -57.8777 62.9314 -60.5154 176.5959 59.4938 -178.3772 -58.5634 133.6217 -104.3124 13.9951 42.7986 164.3212 -76.8185 81.1646 -157.0047 -37.8602 -47.1932 68.7125 -163.0991 154.8531 -80.5983 36.729 -85.1471 39.4015 156.7288 34.8533 159.4018 -83.2709 164.181 40.0656 -77.7902 -75.8185 160.0661 42.2103 44.1811 -79.9342 162.21 -88.0712 35.0676 153.645 31.929 155.0678 -86.3548 151.9284 -84.9328 33.6446 -19.0308 -140.5026 99.649 100.969 -20.5028 -140.3513 -139.031 99.4972 -20.3512 101.2251 -142.8253 -14.7241 -138.7748 -22.8252 105.276 -18.775 97.1746 -134.7242 165.7812 -71.8735 49.9285 -72.8226 49.5227 171.3247 48.452 170.7973 -67.4007 -163.8503 71.2509 -48.9415 75.0669 -49.8319 -170.0243 -46.4562 -171.355 68.4526 -165.1408 71.8959 -49.3021 73.4492 -49.5141 -170.712 -47.8388 -170.8021 68.0 164.7003 -71.2985 49.3275 -74.1568 49.8445 170.4705 47.3012 171.3024 -68.0716 -72.7146 43.1953 171.3758 51.575 167.4849 -64.3347 172.4332 -71.6569 56.5235 72.3586 -43.5671 -171.7157 -51.57 -167.4958 64.3557 -172.3142 71.7601 -56.3885 55.0575 -67.1295 170.8034 179.3499 57.1629 -64.9042 -62.6056 175.2074 53.1403 55.8741 -67.1299 171.6667 179.8766 56.8727 -64.3307 -61.5327 175.4633 54.2599 65.5233 -173.285 -51.1915 -173.7413 -52.5495 69.5439 -50.4019 70.7899 -167.1166 -177.2421 -61.941 67.4567 -53.6358 61.6654 -168.937 67.1528 -177.546 -48.1484 -66.5461 172.6527 49.9901 171.4016 50.6004 -72.0622 50.2806 -70.5206 166.8168 -173.7289 66.7664 -56.2782 -53.6098 -173.1145 63.8409 69.7181 -49.7865 -172.8312 57.6343 -56.6131 171.8819 179.5285 65.281 -66.2239 -59.4012 -173.6487 54.8463 173.3912 52.1871 -70.6006 58.0914 -63.1127 174.0996 -71.3087 167.4872 44.6995 -175.3877 64.9441 -58.1423 -54.3251 -173.9932 62.9203 68.465 -51.2031 -174.2896 59.2775 -55.6173 174.1722 -178.9785 66.1266 -64.0838 -57.6736 -172.5684 57.2211 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 74 1.00e+00 60 T Berny optimization. local minimum Step number 101 out of a maximum of 444 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00119 0.00179 0.00272 0.00300 0.00387 0.00442 0.00475 0.00551 0.00636 0.00664 0.00711 0.00768 0.00858 0.00887 0.01011 0.01194 0.01223 0.01337 0.01378 0.01439 0.01700 0.02040 0.02162 0.02256 0.02757 0.02893 0.03124 0.03193 0.03453 0.03756 0.03998 0.04102 0.04193 0.04262 0.04348 0.04485 0.04513 0.04603 0.04650 0.04793 0.04835 0.04933 0.05009 0.05042 0.05053 0.05100 0.05170 0.05207 0.05230 0.05283 0.05417 0.05480 0.05498 0.05578 0.05641 0.05669 0.05696 0.05714 0.05795 0.05853 0.05908 0.05943 0.05978 0.06032 0.06045 0.06095 0.06228 0.06325 0.06387 0.06437 0.06573 0.06696 0.06922 0.07058 0.07243 0.07472 0.07721 0.07831 0.08058 0.08109 0.08322 0.08424 0.08876 0.08962 0.09363 0.09705 0.09917 0.10192 0.10258 0.10631 0.11263 0.11441 0.11517 0.12011 0.12660 0.12962 0.13885 0.14354 0.14890 0.14920 0.15031 0.15350 0.15451 0.15636 0.15662 0.15836 0.15901 0.15966 0.15976 0.16017 0.16060 0.16079 0.16162 0.16207 0.16238 0.16279 0.16420 0.16551 0.16726 0.17042 0.17330 0.17838 0.18217 0.18276 0.18640 0.18941 0.19285 0.19609 0.20138 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R75 R76 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 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 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 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 2.68034 2.68028 2.69909 2.68293 2.73079 1.82862 2.65980 2.73131 2.66197 2.73028 2.67137 1.82745 2.68766 1.82670 2.70504 1.82894 2.67902 1.82960 2.86897 1.93605 1.94793 1.93749 2.87607 1.93584 1.93751 1.94736 2.85139 1.93868 1.93749 1.93796 2.83618 1.96669 1.93534 1.94305 2.84055 1.93540 1.93530 1.93716 2.91062 2.92869 2.07269 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-2.99357 -0.93456 -3.00980 -0.89971 1.15930 -0.92467 1.18541 -3.03876 -3.11829 -1.10252 1.06744 -1.02509 0.99067 -3.12255 1.08231 3.09808 -1.01515 -2.80510 1.24410 -0.82569 1.39490 -0.83908 -2.90887 -0.68154 -2.91553 1.29787 -3.00601 1.25605 -0.91159 1.09488 -0.92625 -3.09389 -0.95777 -2.97890 1.13665 2.67497 -1.41302 0.69846 -1.46361 0.73159 2.84307 0.56634 2.76154 -1.41016 -1.45711 0.81900 2.78960 0.72559 3.00170 -1.31089 2.82302 -1.18406 0.78654 1.46789 -0.81170 -2.79222 -0.67710 -2.95670 1.34597 -2.80482 1.19877 -0.78175 0.87563 -1.20902 3.01950 3.03222 0.94757 -1.10709 -1.23288 2.96565 0.91099 0.97343 -1.15704 2.99082 3.11909 0.98862 -1.14671 -1.15867 2.99404 0.85871 0.94864 3.12596 -1.08057 3.08962 -1.01623 1.06042 -1.16982 1.00751 3.08417 -3.09002 -0.98907 1.08131 -0.95256 1.14839 -3.06441 1.14948 -3.03276 -0.96237 -0.95395 -3.04939 1.15199 3.13810 1.04266 -1.03914 1.04738 -1.04806 -3.12987 -3.00778 1.21476 -0.91191 -0.97822 -3.03887 1.11765 1.10979 -0.95086 -3.07753 1.07366 -1.08779 3.13274 -3.10626 1.01547 -1.04718 -0.98249 3.13924 1.07659 2.95707 0.88374 -1.21396 0.85752 -1.21581 2.96967 -1.20244 3.00742 0.90971 -2.98529 1.26030 -0.86021 -0.86489 -2.90249 1.26019 1.23550 -0.80210 -2.92260 1.05395 -1.01331 -3.13976 -3.13068 1.08524 -1.04121 -1.02300 -3.09027 1.06647 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000001 0.000000 0.000039 0.000004 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -6.995944e-12 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 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 16 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 28 29 29 30 30 31 31 32 32 15 21 16 22 17 33 21 27 22 30 23 34 26 35 29 36 31 37 18 38 39 40 19 41 42 43 24 44 45 46 25 47 48 49 32 50 51 52 17 18 53 17 19 54 55 20 56 20 57 58 59 23 60 24 61 25 62 28 63 26 64 27 65 31 66 29 67 68 30 69 32 70 71 72 73 74 1.4184 1.4183 1.4283 1.4197 1.4451 0.9677 1.4075 1.4453 1.4087 1.4448 1.4136 0.967 1.4222 0.9666 1.4314 0.9678 1.4177 0.9682 1.5182 1.0245 1.0308 1.0253 1.5219 1.0244 1.0253 1.0305 1.5089 1.0259 1.0253 1.0255 1.5008 1.0407 1.0241 1.0282 1.5032 1.0242 1.0241 1.0251 1.5402 1.5498 1.0968 1.5426 1.5538 1.0974 1.0907 1.5376 1.0896 1.5385 1.0897 1.0943 1.0922 1.5451 1.0942 1.5429 1.0946 1.5235 1.0969 1.5277 1.0913 1.529 1.0915 1.5391 1.0976 1.5238 1.0968 1.5343 1.0932 1.0939 1.5375 1.096 1.5212 1.0957 1.1002 1.0932 1.0906 1.0889 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 15 16 17 21 22 23 26 29 31 18 18 18 38 38 39 19 19 19 41 41 42 24 24 24 44 44 45 25 25 25 47 47 48 32 32 32 50 50 51 1 1 1 17 17 18 2 2 2 17 17 19 3 3 3 15 15 16 10 10 10 15 15 20 11 11 11 16 16 20 18 18 18 19 19 58 1 1 1 4 4 23 2 2 2 5 5 24 6 6 6 21 21 25 12 12 12 22 22 28 13 13 13 23 23 26 7 7 7 25 25 27 4 4 4 26 26 31 24 24 24 29 29 67 8 8 8 28 28 30 5 5 5 29 29 32 9 9 9 27 27 71 14 14 14 30 30 73 1 2 3 4 5 6 7 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 21 22 33 27 30 34 35 36 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 47 48 49 48 49 49 50 51 52 51 52 52 17 18 53 18 53 53 17 19 54 19 54 54 15 16 55 16 55 55 15 20 56 20 56 56 16 20 57 20 57 57 19 58 59 58 59 59 4 23 60 23 60 60 5 24 61 24 61 61 21 25 62 25 62 62 22 28 63 28 63 63 23 26 64 26 64 64 25 27 65 27 65 65 26 31 66 31 66 66 29 67 68 67 68 68 28 30 69 30 69 69 29 32 70 32 70 70 27 71 72 71 72 72 30 73 74 73 74 74 116.0491 117.2457 111.0478 116.5166 116.9665 109.2033 109.3214 108.977 106.4363 112.2289 110.3336 110.4948 109.7029 106.7038 107.1932 112.1797 111.0496 110.1548 106.7038 109.3279 107.2464 111.0001 112.4911 111.1844 107.6077 107.671 106.6391 110.5567 113.1243 107.4081 109.0564 108.3917 108.1626 112.0224 111.1949 110.4926 107.2293 108.0753 107.6424 108.3767 109.3329 110.397 110.7559 107.491 110.4524 109.1624 112.9396 108.9399 110.8716 106.2867 108.4041 105.5522 105.0125 111.5568 115.4756 109.4375 109.6921 109.0667 114.509 104.1411 112.2505 109.5858 106.8787 107.2994 112.6958 104.8538 114.3579 109.4419 107.7515 119.0496 111.1436 103.8842 110.6965 105.3409 105.4186 113.0271 106.5759 111.3066 111.1617 104.7835 110.0468 112.8231 108.4828 110.9802 108.5673 105.0022 110.9581 113.2849 108.1479 111.1698 107.5301 106.9545 109.6626 110.3485 109.6542 106.1604 111.4274 107.9164 111.1926 112.1664 110.7495 105.2443 111.3522 109.2004 107.8455 106.3007 112.103 111.2477 107.1999 110.2054 109.6516 109.7996 105.496 109.7409 113.9373 108.7455 109.0459 110.1573 109.3571 110.5248 109.4897 109.3893 107.8831 111.2623 106.7127 109.538 111.1738 109.1791 108.919 111.3945 105.7566 109.946 109.6975 109.3928 110.6125 111.3514 111.7046 107.1104 109.2303 109.0426 108.3035 111.2099 106.6642 107.9263 110.7866 110.3153 109.8325 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 21 21 21 15 15 15 22 22 22 16 16 16 33 33 33 27 27 27 21 21 21 30 30 30 22 22 22 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 1 1 1 18 18 18 53 53 53 1 1 1 17 17 17 53 53 53 2 2 2 19 19 19 54 54 54 2 2 2 17 17 17 54 54 54 10 10 10 15 15 15 56 56 56 11 11 11 16 16 16 57 57 57 1 1 1 4 4 4 60 60 60 2 2 2 5 5 5 61 61 61 6 6 6 21 21 21 62 62 62 12 12 12 22 22 22 63 63 63 13 13 13 23 23 23 64 64 64 7 7 7 25 25 25 65 65 65 4 4 4 26 26 26 66 66 66 24 24 24 67 67 67 68 68 68 8 8 8 28 28 28 69 69 69 5 5 5 29 29 29 70 70 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 15 15 15 21 21 21 16 16 16 22 22 22 17 17 17 21 21 21 27 27 27 22 22 22 30 30 30 23 23 23 26 26 26 29 29 29 31 31 31 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 32 32 32 32 32 32 32 32 32 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 28 28 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 31 31 31 31 31 31 31 31 31 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 17 18 53 4 23 60 17 19 54 5 24 61 15 16 55 1 23 60 26 31 66 2 24 61 29 32 70 21 25 62 25 27 65 28 30 69 27 71 72 15 20 56 15 20 56 15 20 56 16 20 57 16 20 57 16 20 57 22 28 63 22 28 63 22 28 63 23 26 64 23 26 64 23 26 64 30 73 74 30 73 74 30 73 74 3 16 55 3 16 55 3 16 55 10 20 56 10 20 56 10 20 56 3 15 55 3 15 55 3 15 55 11 20 57 11 20 57 11 20 57 19 58 59 19 58 59 19 58 59 18 58 59 18 58 59 18 58 59 6 25 62 6 25 62 6 25 62 12 28 63 12 28 63 12 28 63 13 26 64 13 26 64 13 26 64 29 67 68 29 67 68 29 67 68 7 27 65 7 27 65 7 27 65 4 31 66 4 31 66 4 31 66 9 71 72 9 71 72 9 71 72 8 30 69 8 30 69 8 30 69 5 32 70 5 32 70 5 32 70 14 73 74 14 73 74 14 73 -158.6058 80.5773 -41.127 72.5658 -165.0376 -45.039 167.0486 -69.1279 51.382 102.447 -137.2267 -15.0796 -124.3319 113.1962 -5.5583 63.0917 -56.7055 -175.5424 57.7187 -179.0987 -61.7585 61.9573 -58.3205 -177.0488 55.9083 175.0307 -65.5283 84.2077 -156.705 -36.2636 146.6921 -96.4813 26.7049 89.0346 -149.5317 -31.772 -59.6095 62.8174 -178.7451 -169.4638 -42.745 73.6103 -46.7894 79.9293 -163.7154 71.5736 -161.7077 -45.3523 168.3644 41.6026 -75.3225 -72.329 160.9092 43.9841 46.3341 -80.4277 162.6472 -57.0603 66.0464 -173.7446 63.5786 -173.3147 -53.1057 -176.8941 -53.7873 66.4217 -78.4864 156.4295 40.1401 44.1503 -80.9337 162.7769 163.4323 38.3483 -77.9411 67.5818 -171.5191 -53.5465 -172.4488 -51.5497 66.4228 -52.98 67.9191 -174.1083 -178.6645 -63.1696 61.16 -58.7335 56.7615 -178.909 62.0119 177.5068 -58.1636 -160.7207 71.2815 -47.3085 79.922 -48.0758 -166.6659 -39.0497 -167.0476 74.3624 -172.2315 71.9665 -52.2303 62.7318 -53.0702 -177.267 -54.876 -170.6781 65.1252 153.2641 -80.9603 40.0186 -83.8586 41.917 162.8959 32.4489 158.2244 -80.7967 -83.486 46.9252 159.8321 41.5735 171.9846 -75.1085 161.7474 -67.8414 45.0654 84.1041 -46.5071 -159.9824 -38.795 -169.4062 77.1184 -160.7042 68.6846 -44.7907 50.1701 -69.2719 173.0049 173.7337 54.2917 -63.4315 -70.6388 169.9192 52.196 55.7738 -66.2934 171.3613 178.7109 56.6437 -65.7016 -66.3868 171.546 49.2007 54.3528 179.1045 -61.912 177.0224 -58.2259 60.7576 -67.0256 57.7261 176.7096 -177.0451 -56.6697 61.9544 -54.5776 65.7978 -175.578 65.8603 -173.7643 -55.1401 -54.6572 -174.7172 66.0043 179.8 59.74 -59.5385 60.0104 -60.0496 -179.3281 -172.333 69.6006 -52.2485 -56.0479 -174.1144 64.0366 63.5861 -54.4803 -176.3294 61.5159 -62.326 179.4925 -177.9758 58.1823 -59.9992 -56.2928 179.8653 61.6838 169.4277 50.6349 -69.555 49.1323 -69.6606 170.1495 -68.8946 172.3125 52.1226 -171.0443 72.2097 -49.2863 -49.5545 -166.3005 72.2035 70.7892 -45.9567 -167.4527 60.3871 -58.0586 -179.8951 -179.3745 62.1798 -59.6567 -58.6137 -177.0594 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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0.000008071 -0.000005400 -0.000003057 -0.000003913 0.000001338 -0.000000420 0.000006674 0.000004769 0.000000330 0.000014798 -0.000002301 -0.000003563 0.000009019 -0.000001880 -0.000001787 0.000003576 -0.000002718 -0.000002719 0.000003763 0.000001508 0.000001354 -0.000001296 0.000003290 0.000002920 -0.000001962 0.000001283 -0.000002467 0.000016219 -0.000002713 -0.000005328 0.000016469 0.000004806 0.000004942 -0.000007391 0.000007998 0.000006455 -0.000003534 430.22069999999974 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;10;11;12;13;14;1;2;3;4;5;6;7;8;9;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74/rA:74nO0O0O0O0O0O0O0O0O0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9674,.8418,.47;1.2911,.2798,-1.1564;-.205,3.5145,-1.8564;-3.2548,.5379,.9493;3.2399,-.6397,-.2034;-.2064,-.813,2.5311;-3.3336,-2.935,-.3325;1.4491,-3.5748,1.0782;-5.1934,.9521,-1.0219;-.5056,4.5223,.6786;2.4827,3.8012,-1.0923;1.461,-1.475,-3.3705;-1.376,-3.2087,1.6068;4.0002,-.4253,2.5143;-.9296,2.166,-.037;1.2348,1.6846,-1.4079;-.2392,2.1394,-1.4136;-.1507,3.0714,.9507;2.0666,2.5155,-.3921;1.3576,2.7725,.9489;-1.9455,.5831,1.4639;2.5297,-.3734,-1.3904;-1.559,-.7595,2.1238;2.2496,-1.7113,-2.106;-1.7887,-1.8595,1.095;-3.2415,-1.8819,.6189;-3.5361,-.5076,-.0082;1.491,-2.6803,-1.2008;2.2473,-2.8718,.1203;2.6092,-1.5185,.7543;-4.9928,-.3107,-.4097;3.6329,-1.7277,1.8598;-.6256,3.6112,-2.7225;-.1208,-.4064,3.4043;-4.2098,-3.3396,-.2779;1.5954,-4.5257,.9725;-4.9298,1.6176,-.3699;.1058,5.1719,1.1824;-.4627,4.718,-.3325;-1.4635,4.7211,.9855;2.8703,4.489,-.4395;3.2076,3.6202,-1.7944;1.677,4.2143,-1.5843;.5834,-.9829,-3.1699;1.9791,-.9175,-4.0575;1.2233,-2.3605,-3.83;-.3423,-3.3183,1.5559;-1.6841,-3.386,2.5673;-1.8076,-3.9145,.9963;3.2178,-.0261,3.0411;4.7771,-.5468,3.1705;4.2924,.2603,1.8104;-1.9471,2.5475,-.1858;1.6215,1.8817,-2.4158;-.8146,1.5127,-2.0961;-.5068,2.896,1.9654;3.0017,1.9979,-.1797;1.9069,3.5104,1.5416;1.4397,1.8352,1.5034;-1.9683,1.3777,2.2158;3.1986,.2564,-1.9856;-2.2351,-.9037,2.9755;3.207,-2.1314,-2.4192;-1.1546,-1.676,.2258;-3.9161,-2.0525,1.4678;-2.9007,-.3804,-.893;.4946,-2.28,-.9959;1.369,-3.6494,-1.6932;3.1694,-3.4326,-.0707;1.7025,-1.0491,1.1519;-5.6334,-.4401,.4754;-5.266,-1.0718,-1.1454;4.556,-2.1471,1.4582;3.2309,-2.3869,2.6276; Gaussian 16 GINC-ART ANDREA NEW-compound opt 6-31G** ES64L-G16RevA.03 RB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RB3LYP/6-31G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.22069999999974 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;10;11;12;13;14;1;2;3;4;5;6;7;8;9;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74/rA:74nO0O0O0O0O0O0O0O0O0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9674,.8418,.47;1.2911,.2798,-1.1564;-.205,3.5145,-1.8564;-3.2548,.5379,.9493;3.2399,-.6397,-.2034;-.2064,-.813,2.5311;-3.3336,-2.935,-.3325;1.4491,-3.5748,1.0782;-5.1934,.9521,-1.0219;-.5056,4.5223,.6786;2.4827,3.8012,-1.0923;1.461,-1.475,-3.3705;-1.376,-3.2087,1.6068;4.0002,-.4253,2.5143;-.9296,2.166,-.037;1.2348,1.6846,-1.4079;-.2392,2.1394,-1.4136;-.1507,3.0714,.9507;2.0666,2.5155,-.3921;1.3576,2.7725,.9489;-1.9455,.5831,1.4639;2.5297,-.3734,-1.3904;-1.559,-.7595,2.1238;2.2496,-1.7113,-2.106;-1.7887,-1.8595,1.095;-3.2415,-1.8819,.6189;-3.5361,-.5076,-.0082;1.491,-2.6803,-1.2008;2.2473,-2.8718,.1203;2.6092,-1.5185,.7543;-4.9928,-.3107,-.4097;3.6329,-1.7277,1.8598;-.6256,3.6112,-2.7225;-.1208,-.4064,3.4043;-4.2098,-3.3396,-.2779;1.5954,-4.5257,.9725;-4.9298,1.6176,-.3699;.1058,5.1719,1.1824;-.4627,4.718,-.3325;-1.4635,4.7211,.9855;2.8703,4.489,-.4395;3.2076,3.6202,-1.7944;1.677,4.2143,-1.5843;.5834,-.9829,-3.1699;1.9791,-.9175,-4.0575;1.2233,-2.3605,-3.83;-.3423,-3.3183,1.5559;-1.6841,-3.386,2.5673;-1.8076,-3.9145,.9963;3.2178,-.0261,3.0411;4.7771,-.5468,3.1705;4.2924,.2603,1.8104;-1.9471,2.5475,-.1858;1.6215,1.8817,-2.4158;-.8146,1.5127,-2.0961;-.5068,2.896,1.9654;3.0017,1.9979,-.1797;1.9069,3.5104,1.5416;1.4397,1.8352,1.5034;-1.9683,1.3777,2.2158;3.1986,.2564,-1.9856;-2.2351,-.9037,2.9755;3.207,-2.1314,-2.4192;-1.1546,-1.676,.2258;-3.9161,-2.0525,1.4678;-2.9007,-.3804,-.893;.4946,-2.28,-.9959;1.369,-3.6494,-1.6932;3.1694,-3.4326,-.0707;1.7025,-1.0491,1.1519;-5.6334,-.4401,.4754;-5.266,-1.0718,-1.1454;4.556,-2.1471,1.4582;3.2309,-2.3869,2.6276; NEW-compound opt 6-31G** Redundant internal coordinates found in file. (old form). Charge = 5 Multiplicity = 1 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 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 16 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 28 29 29 30 30 31 31 32 32 15 21 16 22 17 33 21 27 22 30 23 34 26 35 29 36 31 37 18 38 39 40 19 41 42 43 24 44 45 46 25 47 48 49 32 50 51 52 17 18 53 17 19 54 55 20 56 20 57 58 59 23 60 24 61 25 62 28 63 26 64 27 65 31 66 29 67 68 30 69 32 70 71 72 73 74 1.4184 1.4183 1.4283 1.4197 1.4451 0.9677 1.4075 1.4453 1.4087 1.4448 1.4136 0.967 1.4222 0.9666 1.4314 0.9678 1.4177 0.9682 1.5182 1.0245 1.0308 1.0253 1.5219 1.0244 1.0253 1.0305 1.5089 1.0259 1.0253 1.0255 1.5008 1.0407 1.0241 1.0282 1.5032 1.0242 1.0241 1.0251 1.5402 1.5498 1.0968 1.5426 1.5538 1.0974 1.0907 1.5376 1.0896 1.5385 1.0897 1.0943 1.0922 1.5451 1.0942 1.5429 1.0946 1.5235 1.0969 1.5277 1.0913 1.529 1.0915 1.5391 1.0976 1.5238 1.0968 1.5343 1.0932 1.0939 1.5375 1.096 1.5212 1.0957 1.1002 1.0932 1.0906 1.0889 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 15 16 17 21 22 23 26 29 31 18 18 18 38 38 39 19 19 19 41 41 42 24 24 24 44 44 45 25 25 25 47 47 48 32 32 32 50 50 51 1 1 1 17 17 18 2 2 2 17 17 19 3 3 3 15 15 16 10 10 10 15 15 20 11 11 11 16 16 20 18 18 18 19 19 58 1 1 1 4 4 23 2 2 2 5 5 24 6 6 6 21 21 25 12 12 12 22 22 28 13 13 13 23 23 26 7 7 7 25 25 27 4 4 4 26 26 31 24 24 24 29 29 67 8 8 8 28 28 30 5 5 5 29 29 32 9 9 9 27 27 71 14 14 14 30 30 73 1 2 3 4 5 6 7 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 21 22 33 27 30 34 35 36 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 47 48 49 48 49 49 50 51 52 51 52 52 17 18 53 18 53 53 17 19 54 19 54 54 15 16 55 16 55 55 15 20 56 20 56 56 16 20 57 20 57 57 19 58 59 58 59 59 4 23 60 23 60 60 5 24 61 24 61 61 21 25 62 25 62 62 22 28 63 28 63 63 23 26 64 26 64 64 25 27 65 27 65 65 26 31 66 31 66 66 29 67 68 67 68 68 28 30 69 30 69 69 29 32 70 32 70 70 27 71 72 71 72 72 30 73 74 73 74 74 116.0491 117.2457 111.0478 116.5166 116.9665 109.2033 109.3214 108.977 106.4363 112.2289 110.3336 110.4948 109.7029 106.7038 107.1932 112.1797 111.0496 110.1548 106.7038 109.3279 107.2464 111.0001 112.4911 111.1844 107.6077 107.671 106.6391 110.5567 113.1243 107.4081 109.0564 108.3917 108.1626 112.0224 111.1949 110.4926 107.2293 108.0753 107.6424 108.3767 109.3329 110.397 110.7559 107.491 110.4524 109.1624 112.9396 108.9399 110.8716 106.2867 108.4041 105.5522 105.0125 111.5568 115.4756 109.4375 109.6921 109.0667 114.509 104.1411 112.2505 109.5858 106.8787 107.2994 112.6958 104.8538 114.3579 109.4419 107.7515 119.0496 111.1436 103.8842 110.6965 105.3409 105.4186 113.0271 106.5759 111.3066 111.1617 104.7835 110.0468 112.8231 108.4828 110.9802 108.5673 105.0022 110.9581 113.2849 108.1479 111.1698 107.5301 106.9545 109.6626 110.3485 109.6542 106.1604 111.4274 107.9164 111.1926 112.1664 110.7495 105.2443 111.3522 109.2004 107.8455 106.3007 112.103 111.2477 107.1999 110.2054 109.6516 109.7996 105.496 109.7409 113.9373 108.7455 109.0459 110.1573 109.3571 110.5248 109.4897 109.3893 107.8831 111.2623 106.7127 109.538 111.1738 109.1791 108.919 111.3945 105.7566 109.946 109.6975 109.3928 110.6125 111.3514 111.7046 107.1104 109.2303 109.0426 108.3035 111.2099 106.6642 107.9263 110.7866 110.3153 109.8325 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 21 21 21 15 15 15 22 22 22 16 16 16 33 33 33 27 27 27 21 21 21 30 30 30 22 22 22 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 1 1 1 18 18 18 53 53 53 1 1 1 17 17 17 53 53 53 2 2 2 19 19 19 54 54 54 2 2 2 17 17 17 54 54 54 10 10 10 15 15 15 56 56 56 11 11 11 16 16 16 57 57 57 1 1 1 4 4 4 60 60 60 2 2 2 5 5 5 61 61 61 6 6 6 21 21 21 62 62 62 12 12 12 22 22 22 63 63 63 13 13 13 23 23 23 64 64 64 7 7 7 25 25 25 65 65 65 4 4 4 26 26 26 66 66 66 24 24 24 67 67 67 68 68 68 8 8 8 28 28 28 69 69 69 5 5 5 29 29 29 70 70 70 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 15 15 15 21 21 21 16 16 16 22 22 22 17 17 17 21 21 21 27 27 27 22 22 22 30 30 30 23 23 23 26 26 26 29 29 29 31 31 31 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 32 32 32 32 32 32 32 32 32 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 28 28 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 31 31 31 31 31 31 31 31 31 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 17 18 53 4 23 60 17 19 54 5 24 61 15 16 55 1 23 60 26 31 66 2 24 61 29 32 70 21 25 62 25 27 65 28 30 69 27 71 72 15 20 56 15 20 56 15 20 56 16 20 57 16 20 57 16 20 57 22 28 63 22 28 63 22 28 63 23 26 64 23 26 64 23 26 64 30 73 74 30 73 74 30 73 74 3 16 55 3 16 55 3 16 55 10 20 56 10 20 56 10 20 56 3 15 55 3 15 55 3 15 55 11 20 57 11 20 57 11 20 57 19 58 59 19 58 59 19 58 59 18 58 59 18 58 59 18 58 59 6 25 62 6 25 62 6 25 62 12 28 63 12 28 63 12 28 63 13 26 64 13 26 64 13 26 64 29 67 68 29 67 68 29 67 68 7 27 65 7 27 65 7 27 65 4 31 66 4 31 66 4 31 66 9 71 72 9 71 72 9 71 72 8 30 69 8 30 69 8 30 69 5 32 70 5 32 70 5 32 70 14 73 74 14 73 74 14 73 74 -158.6058 80.5773 -41.127 72.5658 -165.0376 -45.039 167.0486 -69.1279 51.382 102.447 -137.2267 -15.0796 -124.3319 113.1962 -5.5583 63.0917 -56.7055 -175.5424 57.7187 -179.0987 -61.7585 61.9573 -58.3205 -177.0488 55.9083 175.0307 -65.5283 84.2077 -156.705 -36.2636 146.6921 -96.4813 26.7049 89.0346 -149.5317 -31.772 -59.6095 62.8174 -178.7451 -169.4638 -42.745 73.6103 -46.7894 79.9293 -163.7154 71.5736 -161.7077 -45.3523 168.3644 41.6026 -75.3225 -72.329 160.9092 43.9841 46.3341 -80.4277 162.6472 -57.0603 66.0464 -173.7446 63.5786 -173.3147 -53.1057 -176.8941 -53.7873 66.4217 -78.4864 156.4295 40.1401 44.1503 -80.9337 162.7769 163.4323 38.3483 -77.9411 67.5818 -171.5191 -53.5465 -172.4488 -51.5497 66.4228 -52.98 67.9191 -174.1083 -178.6645 -63.1696 61.16 -58.7335 56.7615 -178.909 62.0119 177.5068 -58.1636 -160.7207 71.2815 -47.3085 79.922 -48.0758 -166.6659 -39.0497 -167.0476 74.3624 -172.2315 71.9665 -52.2303 62.7318 -53.0702 -177.267 -54.876 -170.6781 65.1252 153.2641 -80.9603 40.0186 -83.8586 41.917 162.8959 32.4489 158.2244 -80.7967 -83.486 46.9252 159.8321 41.5735 171.9846 -75.1085 161.7474 -67.8414 45.0654 84.1041 -46.5071 -159.9824 -38.795 -169.4062 77.1184 -160.7042 68.6846 -44.7907 50.1701 -69.2719 173.0049 173.7337 54.2917 -63.4315 -70.6388 169.9192 52.196 55.7738 -66.2934 171.3613 178.7109 56.6437 -65.7016 -66.3868 171.546 49.2007 54.3528 179.1045 -61.912 177.0224 -58.2259 60.7576 -67.0256 57.7261 176.7096 -177.0451 -56.6697 61.9544 -54.5776 65.7978 -175.578 65.8603 -173.7643 -55.1401 -54.6572 -174.7172 66.0043 179.8 59.74 -59.5385 60.0104 -60.0496 -179.3281 -172.333 69.6006 -52.2485 -56.0479 -174.1144 64.0366 63.5861 -54.4803 -176.3294 61.5159 -62.326 179.4925 -177.9758 58.1823 -59.9992 -56.2928 179.8653 61.6838 169.4277 50.6349 -69.555 49.1323 -69.6606 170.1495 -68.8946 172.3125 52.1226 -171.0443 72.2097 -49.2863 -49.5545 -166.3005 72.2035 70.7892 -45.9567 -167.4527 60.3871 -58.0586 -179.8951 -179.3745 62.1798 -59.6567 -58.6137 -177.0594 61.1041 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00129 0.00164 0.00169 0.00261 0.00302 0.00312 0.00363 0.00381 0.00440 0.00450 0.00538 0.00560 0.00625 0.00673 0.00728 0.00764 0.00808 0.00957 0.01070 0.01099 0.01463 0.01879 0.02037 0.02161 0.02422 0.02635 0.02713 0.02832 0.03146 0.03518 0.03640 0.03744 0.03837 0.03964 0.03973 0.04240 0.04256 0.04318 0.04330 0.04436 0.04466 0.04518 0.04554 0.04583 0.04641 0.04657 0.04810 0.04844 0.04932 0.04973 0.05006 0.05074 0.05103 0.05136 0.05141 0.05222 0.05245 0.05325 0.05363 0.05379 0.05483 0.05586 0.05610 0.05703 0.05820 0.05888 0.05997 0.06051 0.06105 0.06282 0.06431 0.06707 0.06789 0.06834 0.06959 0.07152 0.07253 0.07321 0.07388 0.07465 0.07686 0.07857 0.08306 0.08467 0.08739 0.09031 0.09324 0.09611 0.09796 0.10005 0.10491 0.10642 0.11204 0.11659 0.11772 0.12155 0.12336 0.12626 0.12675 0.12790 0.12835 0.12862 0.13009 0.13371 0.13941 0.14111 0.14368 0.14590 0.14664 0.14747 0.14936 0.15173 0.15573 0.15976 0.16203 0.16336 0.16500 0.16558 0.16717 0.16894 0.17014 0.17669 0.17982 0.18313 0.18506 0.19092 0.19193 0.19396 0.19610 0.20288 0.20816 0.20932 0.21854 0.22419 0.22603 0.23210 0.23281 0.23764 0.24287 0.24532 0.24705 0.25351 0.25492 0.26396 0.26534 0.26840 0.27235 0.27379 0.27911 0.28090 0.28467 0.28668 0.29027 0.29488 0.29722 0.30004 0.30217 0.31096 0.31604 0.32057 0.32342 0.32655 0.32766 0.32827 0.32975 0.33049 0.33319 0.33445 0.33486 0.33824 0.33864 0.33956 0.34110 0.34198 0.34476 0.34648 0.34778 0.34802 0.34942 0.35102 0.35183 0.35208 0.35613 0.35787 0.36648 0.37021 0.37498 0.37915 0.38689 0.39407 0.39977 0.40702 0.40848 0.41301 0.41997 0.42091 0.42813 0.42983 0.43090 0.43217 0.43339 0.43482 0.43514 0.43611 0.43670 0.43704 0.44090 0.46339 0.51966 0.52211 0.52463 0.52628 0.52679 0.59643 0.83144 4.05123 Angle between quadratic step and forces= 79.64 degrees. 1 2 0.00000840 0.00000000 0.00000000 0.00000000 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 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 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 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 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 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 2.68034 2.68028 2.69909 2.68293 2.73079 1.82862 2.65980 2.73131 2.66197 2.73028 2.67137 1.82745 2.68766 1.82670 2.70504 1.82894 2.67902 1.82960 2.86897 1.93605 1.94793 1.93749 2.87607 1.93584 1.93751 1.94736 2.85139 1.93868 1.93749 1.93796 2.83618 1.96669 1.93534 1.94305 2.84055 1.93540 1.93530 1.93716 2.91062 2.92869 2.07269 2.91511 2.93623 2.07371 2.06113 2.90572 2.05906 2.90741 2.05923 2.06795 2.06388 2.91990 2.06777 2.91568 2.06856 2.87902 2.07277 2.88690 2.06231 2.88943 2.06259 2.90840 2.07423 2.87956 2.07261 2.89935 2.06581 2.06716 2.90554 2.07108 2.87465 2.07055 2.07907 2.06585 2.06086 2.05774 2.02544 2.04632 1.93815 2.03360 2.04145 1.90596 1.90802 1.90201 1.85766 1.95876 1.92569 1.92850 1.91468 1.86233 1.87087 1.95790 1.93818 1.92256 1.86233 1.90813 1.87180 1.93732 1.96334 1.94053 1.87811 1.87921 1.86120 1.92958 1.97439 1.87463 1.90339 1.89179 1.88779 1.95516 1.94072 1.92846 1.87150 1.88627 1.87871 1.89153 1.90822 1.92679 1.93305 1.87607 1.92776 1.90524 1.97117 1.90136 1.93507 1.85505 1.89201 1.84223 1.83281 1.94703 2.01543 1.91004 1.91449 1.90357 1.99856 1.81760 1.95914 1.91263 1.86539 1.87273 1.96691 1.83004 1.99592 1.91012 1.88062 2.07781 1.93982 1.81312 1.93202 1.83855 1.83990 1.97269 1.86010 1.94267 1.94014 1.82882 1.92068 1.96913 1.89338 1.93697 1.89486 1.83263 1.93658 1.97719 1.88754 1.94028 1.87675 1.86671 1.91397 1.92595 1.91383 1.85285 1.94478 1.88350 1.94068 1.95767 1.93294 1.83686 1.94346 1.90591 1.88226 1.85530 1.95657 1.94164 1.87099 1.92345 1.91378 1.91636 1.84125 1.91534 1.98858 1.89797 1.90321 1.92261 1.90864 1.92902 1.91096 1.90920 1.88292 1.94189 1.86249 1.91180 1.94035 1.90553 1.90099 1.94420 1.84580 1.91892 1.91458 1.90927 1.93055 1.94345 1.94961 1.86943 1.90643 1.90315 1.89025 1.94098 1.86164 1.88367 1.93359 1.92537 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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 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 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 0.00001 0.00000 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 -0.00001 -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 -0.00000 -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 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 2.68034 2.68027 2.69909 2.68293 2.73079 1.82862 2.65980 2.73131 2.66197 2.73028 2.67137 1.82745 2.68766 1.82669 2.70504 1.82894 2.67902 1.82959 2.86897 1.93605 1.94793 1.93749 2.87607 1.93584 1.93751 1.94736 2.85139 1.93868 1.93749 1.93796 2.83618 1.96669 1.93534 1.94305 2.84055 1.93540 1.93530 1.93716 2.91062 2.92869 2.07269 2.91511 2.93623 2.07371 2.06113 2.90573 2.05906 2.90741 2.05923 2.06795 2.06388 2.91989 2.06777 2.91568 2.06856 2.87902 2.07277 2.88690 2.06231 2.88943 2.06259 2.90840 2.07423 2.87956 2.07261 2.89935 2.06581 2.06716 2.90554 2.07108 2.87465 2.07055 2.07907 2.06585 2.06086 2.05774 2.02544 2.04632 1.93815 2.03360 2.04145 1.90596 1.90802 1.90201 1.85766 1.95876 1.92568 1.92850 1.91468 1.86233 1.87087 1.95791 1.93818 1.92256 1.86233 1.90813 1.87180 1.93732 1.96334 1.94053 1.87811 1.87921 1.86120 1.92958 1.97439 1.87463 1.90339 1.89179 1.88779 1.95516 1.94072 1.92846 1.87150 1.88627 1.87872 1.89153 1.90822 1.92679 1.93305 1.87607 1.92776 1.90524 1.97117 1.90136 1.93507 1.85505 1.89201 1.84223 1.83281 1.94703 2.01543 1.91005 1.91449 1.90357 1.99856 1.81761 1.95914 1.91263 1.86539 1.87273 1.96691 1.83004 1.99592 1.91012 1.88062 2.07781 1.93982 1.81312 1.93202 1.83855 1.83990 1.97269 1.86010 1.94267 1.94014 1.82882 1.92068 1.96913 1.89338 1.93697 1.89485 1.83263 1.93658 1.97720 1.88753 1.94028 1.87676 1.86671 1.91397 1.92595 1.91383 1.85285 1.94478 1.88350 1.94068 1.95767 1.93294 1.83686 1.94346 1.90591 1.88226 1.85530 1.95657 1.94164 1.87099 1.92345 1.91378 1.91636 1.84125 1.91534 1.98858 1.89797 1.90321 1.92261 1.90864 1.92902 1.91096 1.90920 1.88292 1.94189 1.86249 1.91180 1.94035 1.90553 1.90099 1.94420 1.84580 1.91892 1.91458 1.90927 1.93055 1.94345 1.94961 1.86943 1.90643 1.90315 1.89025 1.94098 1.86164 1.88367 1.93359 1.92537 1.91694 -2.76820 1.40634 -0.71781 1.26651 -2.88045 -0.78608 2.91555 -1.20651 0.89678 1.78805 -2.39505 -0.26318 -2.16997 1.97568 -0.09698 1.10115 -0.98970 -3.06379 1.00739 -3.12586 -1.07788 1.08135 -1.01789 -3.09009 0.97579 3.05487 -1.14368 1.46967 -2.73506 -0.63296 2.56027 -1.68391 0.46610 1.55392 -2.60984 -0.55455 -1.04039 1.09637 -3.11969 -2.95770 -0.74604 1.28474 -0.81663 1.39503 -2.85738 1.24919 -2.82233 -0.79155 2.93851 0.72610 -1.31463 -1.26238 2.80839 0.76766 0.80868 -1.40373 2.83873 -0.99590 1.15272 -3.03243 1.10965 -3.02492 -0.92688 -3.08740 -0.93878 1.15927 -1.36985 2.73021 0.70058 0.77057 -1.41256 2.84099 2.85243 0.66930 -1.36033 1.17954 -2.99356 -0.93455 -3.00979 -0.89970 1.15931 -0.92466 1.18542 -3.03875 -3.11829 -1.10252 1.06744 -1.02509 0.99067 -3.12255 1.08231 3.09808 -1.01515 -2.80510 1.24410 -0.82569 1.39490 -0.83908 -2.90887 -0.68154 -2.91553 1.29787 -3.00601 1.25605 -0.91160 1.09487 -0.92625 -3.09390 -0.95777 -2.97890 1.13665 2.67497 -1.41302 0.69846 -1.46361 0.73159 2.84307 0.56634 2.76154 -1.41017 -1.45711 0.81900 2.78959 0.72559 3.00169 -1.31090 2.82302 -1.18406 0.78653 1.46790 -0.81170 -2.79222 -0.67710 -2.95669 1.34597 -2.80482 1.19877 -0.78174 0.87563 -1.20902 3.01951 3.03223 0.94757 -1.10709 -1.23288 2.96565 0.91099 0.97344 -1.15703 2.99082 3.11910 0.98862 -1.14670 -1.15866 2.99404 0.85872 0.94864 3.12596 -1.08057 3.08962 -1.01623 1.06042 -1.16982 1.00751 3.08417 -3.09003 -0.98908 1.08130 -0.95256 1.14839 -3.06442 1.14948 -3.03276 -0.96238 -0.95395 -3.04939 1.15199 3.13810 1.04266 -1.03914 1.04738 -1.04807 -3.12987 -3.00778 1.21476 -0.91191 -0.97822 -3.03887 1.11765 1.10979 -0.95086 -3.07753 1.07366 -1.08779 3.13274 -3.10626 1.01547 -1.04718 -0.98249 3.13924 1.07659 2.95707 0.88375 -1.21396 0.85752 -1.21581 2.96967 -1.20244 3.00742 0.90971 -2.98529 1.26030 -0.86021 -0.86489 -2.90249 1.26019 1.23550 -0.80210 -2.92260 1.05395 -1.01332 -3.13977 -3.13069 1.08523 -1.04121 -1.02301 -3.09028 1.06646 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000001 0.000000 0.000057 0.000008 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -2.754163e-11 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 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 16 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 28 29 29 30 30 31 31 32 32 15 21 16 22 17 33 21 27 22 30 23 34 26 35 29 36 31 37 18 38 39 40 19 41 42 43 24 44 45 46 25 47 48 49 32 50 51 52 17 18 53 17 19 54 55 20 56 20 57 58 59 23 60 24 61 25 62 28 63 26 64 27 65 31 66 29 67 68 30 69 32 70 71 72 73 74 1.4184 1.4183 1.4283 1.4197 1.4451 0.9677 1.4075 1.4453 1.4087 1.4448 1.4136 0.967 1.4222 0.9666 1.4314 0.9678 1.4177 0.9682 1.5182 1.0245 1.0308 1.0253 1.5219 1.0244 1.0253 1.0305 1.5089 1.0259 1.0253 1.0255 1.5008 1.0407 1.0241 1.0282 1.5032 1.0242 1.0241 1.0251 1.5402 1.5498 1.0968 1.5426 1.5538 1.0974 1.0907 1.5376 1.0896 1.5385 1.0897 1.0943 1.0922 1.5451 1.0942 1.5429 1.0946 1.5235 1.0969 1.5277 1.0913 1.529 1.0915 1.5391 1.0976 1.5238 1.0968 1.5343 1.0932 1.0939 1.5375 1.096 1.5212 1.0957 1.1002 1.0932 1.0906 1.0889 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 15 16 17 21 22 23 26 29 31 18 18 18 38 38 39 19 19 19 41 41 42 24 24 24 44 44 45 25 25 25 47 47 48 32 32 32 50 50 51 1 1 1 17 17 18 2 2 2 17 17 19 3 3 3 15 15 16 10 10 10 15 15 20 11 11 11 16 16 20 18 18 18 19 19 58 1 1 1 4 4 23 2 2 2 5 5 24 6 6 6 21 21 25 12 12 12 22 22 28 13 13 13 23 23 26 7 7 7 25 25 27 4 4 4 26 26 31 24 24 24 29 29 67 8 8 8 28 28 30 5 5 5 29 29 32 9 9 9 27 27 71 14 14 14 30 30 73 1 2 3 4 5 6 7 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 21 22 33 27 30 34 35 36 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 47 48 49 48 49 49 50 51 52 51 52 52 17 18 53 18 53 53 17 19 54 19 54 54 15 16 55 16 55 55 15 20 56 20 56 56 16 20 57 20 57 57 19 58 59 58 59 59 4 23 60 23 60 60 5 24 61 24 61 61 21 25 62 25 62 62 22 28 63 28 63 63 23 26 64 26 64 64 25 27 65 27 65 65 26 31 66 31 66 66 29 67 68 67 68 68 28 30 69 30 69 69 29 32 70 32 70 70 27 71 72 71 72 72 30 73 74 73 74 74 116.0491 117.2457 111.0478 116.5166 116.9665 109.2033 109.3214 108.977 106.4363 112.2289 110.3336 110.4948 109.7029 106.7038 107.1932 112.1797 111.0496 110.1548 106.7038 109.3279 107.2464 111.0001 112.4911 111.1844 107.6077 107.671 106.6391 110.5567 113.1243 107.4081 109.0564 108.3917 108.1626 112.0224 111.1949 110.4926 107.2293 108.0753 107.6424 108.3767 109.3329 110.397 110.7559 107.491 110.4524 109.1624 112.9396 108.9399 110.8716 106.2867 108.4041 105.5522 105.0125 111.5568 115.4756 109.4375 109.6921 109.0667 114.509 104.1411 112.2505 109.5858 106.8787 107.2994 112.6958 104.8538 114.3579 109.4419 107.7515 119.0496 111.1436 103.8842 110.6965 105.3409 105.4186 113.0271 106.5759 111.3066 111.1617 104.7835 110.0468 112.8231 108.4828 110.9802 108.5673 105.0022 110.9581 113.2849 108.1479 111.1698 107.5301 106.9545 109.6626 110.3485 109.6542 106.1604 111.4274 107.9164 111.1926 112.1664 110.7495 105.2443 111.3522 109.2004 107.8455 106.3007 112.103 111.2477 107.1999 110.2054 109.6516 109.7996 105.496 109.7409 113.9373 108.7455 109.0459 110.1573 109.3571 110.5248 109.4897 109.3893 107.8831 111.2623 106.7127 109.538 111.1738 109.1791 108.919 111.3945 105.7566 109.946 109.6975 109.3928 110.6125 111.3514 111.7046 107.1104 109.2303 109.0426 108.3035 111.2099 106.6642 107.9263 110.7866 110.3153 109.8325 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 21 21 21 15 15 15 22 22 22 16 16 16 33 33 33 27 27 27 21 21 21 30 30 30 22 22 22 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 1 1 1 18 18 18 53 53 53 1 1 1 17 17 17 53 53 53 2 2 2 19 19 19 54 54 54 2 2 2 17 17 17 54 54 54 10 10 10 15 15 15 56 56 56 11 11 11 16 16 16 57 57 57 1 1 1 4 4 4 60 60 60 2 2 2 5 5 5 61 61 61 6 6 6 21 21 21 62 62 62 12 12 12 22 22 22 63 63 63 13 13 13 23 23 23 64 64 64 7 7 7 25 25 25 65 65 65 4 4 4 26 26 26 66 66 66 24 24 24 67 67 67 68 68 68 8 8 8 28 28 28 69 69 69 5 5 5 29 29 29 70 70 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 15 15 15 21 21 21 16 16 16 22 22 22 17 17 17 21 21 21 27 27 27 22 22 22 30 30 30 23 23 23 26 26 26 29 29 29 31 31 31 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 32 32 32 32 32 32 32 32 32 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 28 28 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 31 31 31 31 31 31 31 31 31 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 17 18 53 4 23 60 17 19 54 5 24 61 15 16 55 1 23 60 26 31 66 2 24 61 29 32 70 21 25 62 25 27 65 28 30 69 27 71 72 15 20 56 15 20 56 15 20 56 16 20 57 16 20 57 16 20 57 22 28 63 22 28 63 22 28 63 23 26 64 23 26 64 23 26 64 30 73 74 30 73 74 30 73 74 3 16 55 3 16 55 3 16 55 10 20 56 10 20 56 10 20 56 3 15 55 3 15 55 3 15 55 11 20 57 11 20 57 11 20 57 19 58 59 19 58 59 19 58 59 18 58 59 18 58 59 18 58 59 6 25 62 6 25 62 6 25 62 12 28 63 12 28 63 12 28 63 13 26 64 13 26 64 13 26 64 29 67 68 29 67 68 29 67 68 7 27 65 7 27 65 7 27 65 4 31 66 4 31 66 4 31 66 9 71 72 9 71 72 9 71 72 8 30 69 8 30 69 8 30 69 5 32 70 5 32 70 5 32 70 14 73 74 14 73 74 14 73 -158.6058 80.5773 -41.127 72.5658 -165.0376 -45.039 167.0486 -69.1279 51.382 102.447 -137.2267 -15.0796 -124.3319 113.1962 -5.5583 63.0917 -56.7055 -175.5424 57.7187 -179.0987 -61.7585 61.9573 -58.3205 -177.0488 55.9083 175.0307 -65.5283 84.2077 -156.705 -36.2636 146.6921 -96.4813 26.7049 89.0346 -149.5317 -31.772 -59.6095 62.8174 -178.7451 -169.4638 -42.745 73.6103 -46.7894 79.9293 -163.7154 71.5736 -161.7077 -45.3523 168.3644 41.6026 -75.3225 -72.329 160.9092 43.9841 46.3341 -80.4277 162.6472 -57.0603 66.0464 -173.7446 63.5786 -173.3147 -53.1057 -176.8941 -53.7873 66.4217 -78.4864 156.4295 40.1401 44.1503 -80.9337 162.7769 163.4323 38.3483 -77.9411 67.5818 -171.5191 -53.5465 -172.4488 -51.5497 66.4228 -52.98 67.9191 -174.1083 -178.6645 -63.1696 61.16 -58.7335 56.7615 -178.909 62.0119 177.5068 -58.1636 -160.7207 71.2815 -47.3085 79.922 -48.0758 -166.6659 -39.0497 -167.0476 74.3624 -172.2315 71.9665 -52.2303 62.7318 -53.0702 -177.267 -54.876 -170.6781 65.1252 153.2641 -80.9603 40.0186 -83.8586 41.917 162.8959 32.4489 158.2244 -80.7967 -83.486 46.9252 159.8321 41.5735 171.9846 -75.1085 161.7474 -67.8414 45.0654 84.1041 -46.5071 -159.9824 -38.795 -169.4062 77.1184 -160.7042 68.6846 -44.7907 50.1701 -69.2719 173.0049 173.7337 54.2917 -63.4315 -70.6388 169.9192 52.196 55.7738 -66.2934 171.3613 178.7109 56.6437 -65.7016 -66.3868 171.546 49.2007 54.3528 179.1045 -61.912 177.0224 -58.2259 60.7576 -67.0256 57.7261 176.7096 -177.0451 -56.6697 61.9544 -54.5776 65.7978 -175.578 65.8603 -173.7643 -55.1401 -54.6572 -174.7172 66.0043 179.8 59.74 -59.5385 60.0104 -60.0496 -179.3281 -172.333 69.6006 -52.2485 -56.0479 -174.1144 64.0366 63.5861 -54.4803 -176.3294 61.5159 -62.326 179.4925 -177.9758 58.1823 -59.9992 -56.2928 179.8653 61.6838 169.4277 50.6349 -69.555 49.1323 -69.6606 170.1495 -68.8946 172.3125 52.1226 -171.0443 72.2097 -49.2863 -49.5545 -166.3005 72.2035 70.7892 -45.9567 -167.4527 60.3871 -58.0586 -179.8951 -179.3745 62.1798 -59.6567 -58.6137 -177.0594 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-31G(d,p) (6D, 7F) 74 74 74 1.00e+00 60 T 0.1488531 0.1284264 0.0935604 1 -1661.25599700 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 225 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 223 vectors produced by pass 0 Test12= 7.11D-14 1.00D-09 XBig12= 1.41D+02 1.03D+00. AX will form 72 AO Fock derivatives at one time. 222 vectors produced by pass 1 Test12= 7.11D-14 1.00D-09 XBig12= 1.16D+01 2.10D-01. 222 vectors produced by pass 2 Test12= 7.11D-14 1.00D-09 XBig12= 1.05D-01 1.72D-02. 222 vectors produced by pass 3 Test12= 7.11D-14 1.00D-09 XBig12= 3.48D-04 1.48D-03. 222 vectors produced by pass 4 Test12= 7.11D-14 1.00D-09 XBig12= 4.80D-07 3.42D-05. 105 vectors produced by pass 5 Test12= 7.11D-14 1.00D-09 XBig12= 4.25D-10 1.01D-06. 3 vectors produced by pass 6 Test12= 7.11D-14 1.00D-09 XBig12= 3.26D-13 2.54D-08. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 1219 with 225 vectors. Isotropic polarizability for W= 0.000000 307.04 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT34547.200S 2019-06-29T20:53:53.000 -19.19502 -19.19005 -19.18898 -19.15805 -14.49404 -14.48948 -14.48833 -14.48611 -14.46837 -10.34723 -10.32351 -10.30586 -10.30397 -10.29979 -10.29836 -10.29816 -10.29683 -10.28842 -10.28782 -10.28502 -10.28085 -10.28056 -10.28040 -10.26342 -10.25147 -10.24674 -10.23468 -1.12960 -1.11668 -1.09143 -1.07612 -1.06819 -1.06716 -1.06416 -1.05444 -1.03946 -1.03653 -1.03201 -1.03088 -1.02752 -1.01323 -0.87545 -0.84649 -0.83830 -0.83209 -0.81546 -0.80163 -0.78782 -0.75294 -0.72351 -0.70762 -0.69652 -0.69212 -0.68289 -0.67992 -0.65485 -0.64913 -0.63665 -0.63173 -0.62090 -0.61570 -0.61386 -0.60936 -0.60831 -0.60536 -0.60251 -0.59584 -0.58931 -0.57998 -0.57742 -0.57459 -0.57029 -0.56479 -0.56408 -0.55996 -0.54766 -0.54442 -0.53867 -0.53470 -0.53086 -0.52412 -0.51738 -0.51534 -0.50212 -0.49924 -0.49435 -0.48168 -0.47538 -0.46785 -0.46526 -0.45833 -0.45257 -0.44625 -0.44343 -0.44018 -0.43547 -0.43446 -0.43258 -0.42824 -0.42619 -0.41662 -0.41504 -0.41245 -0.40874 -0.39630 -0.38954 -0.38519 -0.38027 -0.37390 -0.36652 -0.35601 -0.35072 -0.34558 -0.33511 -0.32828 -0.32570 -0.32001 -0.31538 -0.31134 -0.29499 -0.28377 -0.01019 0.00345 0.00610 0.01729 0.02215 0.02933 0.03843 0.04090 0.04179 0.04914 0.05146 0.05729 0.05883 0.06456 0.06572 0.07447 0.07661 0.07925 0.08129 0.08679 0.08947 0.09147 0.09363 0.09909 0.10053 0.10331 0.10518 0.10897 0.11631 0.11858 0.12023 0.12085 0.12368 0.12958 0.13400 0.13924 0.14121 0.14360 0.14523 0.14751 0.15138 0.15371 0.15885 0.15981 0.16386 0.16497 0.16822 0.17003 0.17267 0.17828 0.18028 0.18220 0.18341 0.18898 0.19183 0.19348 0.20089 0.20579 0.21113 0.21737 0.21990 0.22331 0.22636 0.23034 0.23375 0.23781 0.24353 0.24737 0.25687 0.26253 0.26294 0.26839 0.27907 0.29017 0.31347 0.31580 0.41081 0.43864 0.44507 0.45752 0.46024 0.46903 0.46942 0.47293 0.48571 0.48909 0.49328 0.49547 0.50232 0.50842 0.51748 0.51991 0.52097 0.52826 0.53697 0.54203 0.54561 0.55198 0.55781 0.56016 0.56335 0.56815 0.57309 0.58156 0.58738 0.59211 0.59505 0.59915 0.60539 0.61458 0.62073 0.63095 0.63663 0.63855 0.64552 0.65049 0.65310 0.65910 0.66359 0.67145 0.67298 0.68060 0.68750 0.69529 0.70644 0.71308 0.71592 0.71916 0.72176 0.73071 0.73523 0.74200 0.74334 0.74751 0.75042 0.75502 0.75651 0.75734 0.76317 0.76669 0.76805 0.77016 0.77196 0.77595 0.78012 0.78889 0.79182 0.79434 0.79651 0.80568 0.80868 0.81225 0.81495 0.81816 0.82111 0.82534 0.83070 0.83172 0.83550 0.83712 0.84293 0.85124 0.85764 0.85944 0.86664 0.87019 0.87514 0.87980 0.88513 0.88970 0.89409 0.90051 0.90288 0.90498 0.91092 0.92170 0.92355 0.92720 0.93877 0.95154 0.95369 0.95669 0.96637 0.97235 0.97876 0.98742 0.99335 0.99858 1.01263 1.02117 1.03354 1.03693 1.04601 1.05877 1.06043 1.06733 1.06799 1.07247 1.07724 1.08351 1.09566 1.10209 1.12566 1.13186 1.13836 1.14440 1.14534 1.15219 1.16331 1.16397 1.17513 1.17722 1.19304 1.20156 1.20561 1.21690 1.23357 1.23976 1.24049 1.25990 1.26513 1.28294 1.28878 1.30309 1.30860 1.32340 1.33040 1.34388 1.35715 1.35877 1.36864 1.38937 1.39748 1.41056 1.41425 1.42466 1.43974 1.44161 1.44777 1.45903 1.46214 1.46490 1.48303 1.49085 1.49706 1.50438 1.51335 1.51602 1.52272 1.53071 1.53968 1.55182 1.55550 1.56338 1.57211 1.57891 1.58396 1.59074 1.60066 1.60790 1.61860 1.62572 1.63329 1.63831 1.64128 1.64638 1.65930 1.67817 1.68606 1.69273 1.69800 1.70425 1.70611 1.71097 1.72324 1.72542 1.73494 1.73866 1.74121 1.74397 1.75087 1.75817 1.77333 1.77662 1.78410 1.78989 1.79226 1.79818 1.80373 1.81001 1.82018 1.82307 1.83243 1.83378 1.84711 1.85040 1.85508 1.86617 1.86931 1.87263 1.87794 1.88268 1.88646 1.89098 1.89550 1.90776 1.91297 1.92333 1.93185 1.94108 1.94432 1.95308 1.95556 1.95674 1.96076 1.96776 1.97174 1.97407 1.98142 1.98274 1.98921 1.99043 1.99873 2.00598 2.00780 2.01127 2.01695 2.02379 2.02913 2.03631 2.04052 2.05050 2.05257 2.06380 2.06886 2.07567 2.08564 2.09133 2.09357 2.09827 2.10500 2.10830 2.11406 2.11768 2.12416 2.12899 2.13001 2.13865 2.14643 2.15537 2.15767 2.16580 2.16668 2.17241 2.18217 2.18277 2.18729 2.19356 2.19505 2.20179 2.21054 2.21741 2.22504 2.22950 2.23355 2.24348 2.24563 2.25061 2.26268 2.27056 2.27613 2.28826 2.29029 2.31106 2.31330 2.31424 2.32844 2.32973 2.33198 2.33867 2.34460 2.35797 2.36688 2.37258 2.37916 2.38037 2.38892 2.39265 2.39980 2.40529 2.40789 2.41945 2.42239 2.43168 2.44296 2.45223 2.45547 2.46286 2.48683 2.49407 2.50084 2.51204 2.51723 2.52412 2.53689 2.54313 2.54463 2.55661 2.56660 2.57776 2.58635 2.59950 2.60423 2.60935 2.61109 2.61889 2.62512 2.63331 2.63596 2.63986 2.64302 2.64487 2.65284 2.65755 2.65840 2.66219 2.66909 2.67418 2.67662 2.68108 2.69059 2.69100 2.69663 2.70754 2.70792 2.71559 2.72459 2.72676 2.72842 2.73832 2.74714 2.75026 2.75208 2.76129 2.76509 2.77332 2.78016 2.78621 2.79639 2.80504 2.81261 2.81857 2.82232 2.82706 2.83581 2.84072 2.84537 2.85874 2.86215 2.86570 2.88025 2.88575 2.89229 2.89456 2.89918 2.90227 2.90725 2.91526 2.91905 2.92225 2.92495 2.93421 2.94163 2.94891 2.95651 2.96433 2.97395 2.98506 2.99357 3.00165 3.01294 3.01963 3.02666 3.03886 3.04834 3.06844 3.08686 3.10273 3.10862 3.12334 3.13545 3.13948 3.14533 3.16563 3.18461 3.22868 3.23030 3.24501 3.25560 3.26390 3.27753 3.29875 3.31064 3.31436 3.32397 3.33562 3.34083 3.35361 3.36164 3.36379 3.36471 3.37235 3.37866 3.38647 3.38983 3.40377 3.41154 3.41577 3.42394 3.43212 3.43836 3.44731 3.45100 3.45693 3.46017 3.47478 3.47698 3.49556 3.51547 3.52935 3.53352 3.54304 3.89298 3.90653 3.92267 3.92804 4.00851 4.05359 4.06548 4.11774 4.13258 4.18599 4.22339 4.23243 4.26046 4.28441 4.37929 4.39393 4.41157 4.44617 4.48053 4.51884 4.53119 4.56174 4.59390 4.66091 4.70122 4.70520 4.72959 4.78769 4.81702 4.85033 4.87896 4.91769 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 O O O O O O O O O N N N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.508030 -0.518818 -0.584748 -0.525639 -0.524223 -0.548474 -0.564795 -0.562312 -0.569135 -0.531850 -0.532593 -0.521203 -0.548830 -0.529394 0.176429 0.171048 0.101818 -0.035525 -0.037460 -0.225045 0.378221 0.397598 0.157712 -0.044320 -0.045949 0.154405 0.138550 -0.226321 0.139608 0.149579 0.045088 -0.120200 0.385221 0.355847 0.357975 0.367025 0.332489 0.384995 0.376245 0.389877 0.386488 0.391505 0.374613 0.380638 0.390766 0.391635 0.383396 0.369837 0.365240 0.386354 0.391295 0.383323 0.163040 0.167577 0.180594 0.206724 0.210997 0.183118 0.199105 0.137892 0.167826 0.156558 0.214262 0.184031 0.148684 0.128787 0.150925 0.172216 0.156517 0.173239 0.111751 0.127755 0.200992 0.207451 5.00000 Mulliken charges with hydrogens summed into heavy atoms: 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 O O O O O O O O O N N N N N C C C C C C C C C C C C C C C C C C -0.508030 -0.518818 -0.199527 -0.525639 -0.524223 -0.192628 -0.206820 -0.195286 -0.236647 0.619267 0.620014 0.641836 0.569643 0.631578 0.339469 0.338624 0.282412 0.171199 0.173538 0.157179 0.516113 0.565424 0.314270 0.169942 0.138082 0.303090 0.267337 0.096820 0.296125 0.322818 0.284594 0.288244 5.00000 303.454 5.437 320.487 7.029 -3.941 297.165 325.458 2.725 336.527 2.569 -2.645 324.132 -17.6838 -0.0005 -0.0003 0.0005 13.2138 18.7276 31.1748 43.2744 50.2170 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.4528 42.5846 50.2022 66.5544 72.5692 90.4854 98.0485 100.2079 110.3485 114.1151 127.5685 135.5014 146.3352 152.7858 161.1295 174.2259 185.2742 193.1045 202.5103 211.3914 217.2387 220.2619 231.7332 236.0474 255.1670 264.1900 267.1718 274.5185 278.2358 279.4878 297.7970 305.4413 319.4699 324.7172 327.3777 333.5944 338.4586 344.2670 351.5708 367.6965 382.4695 388.5341 396.3885 399.8834 406.7822 414.6170 419.2380 422.4418 433.9055 441.1565 464.2306 496.3253 502.8042 513.2523 533.4845 548.5825 551.1466 568.8764 593.2573 603.1117 609.8380 629.3202 668.0929 715.6994 724.8165 775.6655 810.3054 814.8318 839.7970 846.1896 876.7917 889.9837 900.5966 907.9810 927.6725 935.7411 950.4306 955.4553 969.4248 972.5015 988.1102 990.9219 1002.4805 1007.3269 1012.0668 1017.3224 1030.4398 1040.9015 1049.3305 1051.4077 1059.6797 1064.0181 1072.3398 1075.7951 1079.8198 1082.7464 1099.8891 1105.6791 1110.9056 1112.4602 1122.8341 1123.0884 1129.6507 1136.4198 1142.1731 1147.0224 1151.6780 1158.3681 1163.4303 1179.5669 1181.4560 1190.1484 1200.2212 1204.6034 1225.6228 1234.3866 1236.4586 1243.5030 1248.2879 1273.3395 1279.3035 1315.9699 1336.6455 1340.7937 1343.3100 1351.0056 1356.3228 1359.3030 1363.9656 1366.5781 1372.7313 1378.3103 1382.2272 1383.2016 1391.9604 1395.0572 1399.3641 1401.2771 1402.3279 1408.6794 1411.1310 1417.4707 1419.5463 1424.1585 1434.1663 1435.8058 1438.7573 1447.1862 1448.8421 1450.4067 1454.0409 1459.4055 1467.9713 1476.2170 1486.8209 1493.0780 1504.1893 1508.5690 1513.8611 1515.6399 1532.8912 1533.5567 1539.5969 1540.9877 1658.3615 1661.0354 1668.3506 1674.0633 1675.3983 1680.7692 1686.0689 1689.1373 1694.9492 1704.8119 3012.0393 3048.6852 3050.2317 3061.3953 3062.7086 3063.5917 3065.4074 3076.6688 3079.4168 3084.9817 3086.4242 3092.1734 3116.4425 3126.6444 3129.0934 3137.4694 3137.7343 3143.9295 3149.1982 3154.8872 3167.2664 3186.4887 3197.8774 3348.2007 3359.7071 3410.7447 3415.6737 3433.3869 3468.2849 3471.0594 3496.0765 3501.8183 3506.8609 3507.3239 3511.6148 3517.8887 3530.1148 3796.5308 3816.3977 3820.1432 3826.8686 3828.7115 4.8811 4.5890 6.2266 3.9436 5.0649 4.8457 4.3831 4.5278 4.7750 3.9827 4.2541 2.7773 3.5967 4.8868 3.6653 4.2063 3.1530 2.8931 3.1430 2.9758 1.7199 1.5803 1.6438 2.4894 3.1771 3.4583 2.9607 2.2891 2.3908 3.0696 1.5164 2.2820 2.5769 2.4746 1.6960 1.2998 1.2649 1.3971 2.3836 1.6573 2.5248 1.3928 2.8637 2.6701 1.5950 3.2917 3.2368 3.3902 3.2275 2.5852 3.9452 3.8422 3.3214 4.5315 3.4586 5.8258 4.3478 4.9834 4.3334 3.4257 3.7938 3.9363 4.5104 3.7261 3.2453 5.2926 2.4219 1.8474 2.2918 2.5580 2.4399 2.6640 2.3541 1.7495 3.1975 2.9889 2.7310 2.5542 2.6594 2.2934 1.8738 2.1840 2.2658 1.6746 1.7972 3.8315 2.6816 2.9116 2.3301 3.0013 4.3089 3.6031 2.1888 3.6053 3.5805 3.1319 3.1194 2.3426 2.0448 2.9104 2.3873 2.4477 3.4566 3.7131 1.7134 1.9462 2.1221 2.1384 2.1906 1.8031 1.3131 1.3635 1.3448 1.3325 1.6780 1.5524 1.3865 1.5220 1.3539 1.2927 1.2589 1.5017 1.3045 1.2862 1.3469 1.3235 1.2980 1.2514 1.3348 1.2648 1.3621 1.2284 1.5256 1.2791 1.3240 1.4717 1.3013 1.3237 1.3944 1.2626 1.2459 1.2174 1.2632 1.2321 1.2682 1.2894 1.3333 1.3917 1.3929 1.3854 1.4859 1.4957 1.3537 1.2354 1.1137 1.1957 1.0833 1.0899 1.1577 1.1539 1.1667 1.1514 1.1536 1.1646 1.0431 1.0414 1.0435 1.0390 1.0394 1.0403 1.0419 1.0426 1.0439 1.0442 1.0693 1.0858 1.0847 1.0858 1.0858 1.0863 1.0849 1.0622 1.0883 1.0811 1.0883 1.0750 1.0955 1.1027 1.0612 1.0839 1.0887 1.0905 1.0910 1.0894 1.0860 1.0678 1.1102 1.0505 1.0469 1.0319 1.0660 1.0315 1.0759 1.0769 1.0934 1.0935 1.0871 1.0938 1.0933 1.0930 1.0926 1.0658 1.0669 1.0671 1.0676 1.0674 0.0022 0.0049 0.0092 0.0103 0.0157 0.0234 0.0248 0.0268 0.0343 0.0306 0.0408 0.0300 0.0454 0.0672 0.0561 0.0752 0.0638 0.0636 0.0759 0.0783 0.0478 0.0452 0.0520 0.0817 0.1219 0.1422 0.1245 0.1016 0.1090 0.1413 0.0792 0.1254 0.1550 0.1537 0.1071 0.0852 0.0854 0.0976 0.1736 0.1320 0.2176 0.1239 0.2651 0.2516 0.1555 0.3334 0.3352 0.3565 0.3580 0.2964 0.5009 0.5577 0.4947 0.7033 0.5800 1.0330 0.7781 0.9502 0.8986 0.7342 0.8313 0.9185 1.1862 1.1245 1.0045 1.8761 0.9369 0.7227 0.9523 1.0792 1.1051 1.2432 1.1249 0.8498 1.6213 1.5420 1.4535 1.3738 1.4726 1.2779 1.0779 1.2635 1.3416 1.0011 1.0846 2.3364 1.6776 1.8587 1.5116 1.9548 2.8508 2.4034 1.4829 2.4584 2.4598 2.1633 2.2234 1.6874 1.4868 2.1221 1.7733 1.8190 2.5989 2.8253 1.3169 1.5086 1.6584 1.6906 1.7470 1.4782 1.0799 1.1379 1.1414 1.1392 1.4851 1.3937 1.2489 1.3866 1.2430 1.2349 1.2139 1.5322 1.3732 1.3623 1.4320 1.4232 1.4069 1.3623 1.4631 1.3916 1.5123 1.3750 1.7173 1.4418 1.5114 1.6875 1.5014 1.5314 1.6156 1.4762 1.4617 1.4411 1.4998 1.4723 1.5368 1.5661 1.6261 1.7173 1.7227 1.7171 1.8509 1.8769 1.7188 1.5862 1.4505 1.5706 1.4441 1.4614 1.5633 1.5617 1.6153 1.5955 1.6111 1.6294 1.6902 1.6929 1.7112 1.7156 1.7189 1.7316 1.7451 1.7526 1.7669 1.7880 5.7157 5.9460 5.9457 5.9955 6.0006 6.0068 6.0064 5.9240 6.0805 6.0621 6.1083 6.0559 6.2686 6.3513 6.1220 6.2865 6.3152 6.3509 6.3747 6.3883 6.4190 6.3878 6.6891 6.9383 6.9624 7.0725 7.3278 7.1645 7.6252 7.6445 7.8742 7.9008 7.8769 7.9275 7.9434 7.9696 8.0224 9.0514 9.1556 9.1751 9.2114 9.2188 9.8944 6.0377 13.0921 26.1771 9.7885 8.8732 1.7484 6.1269 4.4531 10.4802 19.8793 24.4305 8.3522 3.9726 31.7770 16.5750 5.2694 4.5851 5.2353 24.1793 125.9311 100.4659 105.0395 31.9853 27.5146 32.5352 3.2675 11.5604 4.0721 42.1928 104.7146 61.6002 0.6802 37.8254 11.4562 131.8169 0.9369 7.4881 28.6525 5.5413 14.8172 18.9657 12.7806 99.9545 123.4258 37.1496 43.8634 17.4043 20.0221 34.5161 31.0621 10.2976 17.2984 8.7484 23.9711 12.4290 11.1354 25.4161 10.8393 23.4628 2.9556 0.4376 6.0565 5.2432 19.3762 4.3192 13.9414 17.3313 31.3699 28.1265 12.8546 3.1401 21.1227 33.4908 3.5753 13.4342 25.7218 66.3564 41.5713 101.2667 60.8081 191.4445 124.3233 17.4219 28.1717 101.2408 44.6220 50.1395 48.3892 178.7757 567.4108 318.5848 56.1495 93.6748 263.3558 155.7007 191.5118 44.3663 11.3732 209.9264 10.9048 13.6143 56.9366 134.9801 17.0228 28.5434 41.0340 73.7238 28.5341 30.5182 28.2981 49.5243 10.8000 11.9010 24.4713 33.0453 38.0796 43.2879 51.0614 3.1581 64.2794 15.2582 10.1943 7.1077 5.5614 3.9010 5.1446 14.1528 9.3854 18.2320 7.0487 31.8832 16.7818 12.2141 3.9867 15.2508 4.9347 6.2763 12.9377 30.6764 15.3942 15.0258 7.5402 21.3826 10.2003 11.0520 12.3434 52.0867 7.6608 2.9534 6.2976 2.4370 5.4918 9.6451 32.5736 18.5329 23.5527 2.0368 6.2406 85.9318 76.2545 535.8584 203.5455 238.3919 80.6143 83.2210 52.3932 29.5795 60.6733 82.7279 84.1101 77.0789 13.3138 100.4771 62.5533 29.6170 6.7375 23.3979 35.7352 19.9879 62.3922 15.0954 51.2923 6.8532 17.3684 8.2779 34.6015 11.0240 3.2678 4.4681 12.1645 7.0243 1.6143 2.2478 1.7460 916.1443 0.7005 78.0971 234.0332 59.9620 187.7790 55.3064 232.2678 208.0481 161.9262 148.2096 137.4125 141.5364 133.4720 181.9042 139.2735 48.3579 143.5016 112.4360 228.3798 123.2099 0.02 -0.03 -0.00 0.03 -0.02 -0.01 -0.03 -0.06 -0.05 0.02 0.02 0.08 0.02 0.02 0.05 0.03 -0.09 -0.03 -0.07 0.06 -0.05 -0.02 -0.01 -0.04 -0.06 0.13 0.22 -0.06 -0.01 -0.09 -0.03 -0.01 -0.03 0.23 -0.03 -0.06 -0.03 -0.04 -0.08 -0.06 0.03 0.04 -0.02 -0.04 -0.03 0.00 -0.03 -0.01 -0.01 -0.05 -0.03 -0.05 0.00 -0.05 -0.02 0.00 -0.01 -0.04 0.02 -0.02 0.04 -0.03 0.03 0.06 0.01 0.02 0.03 -0.05 -0.02 0.13 0.01 0.01 -0.02 -0.02 -0.04 -0.03 0.02 -0.01 -0.03 0.05 0.05 0.08 0.00 -0.03 0.02 0.01 0.00 -0.02 0.01 0.02 -0.05 0.09 0.13 -0.06 0.02 0.06 -0.01 -0.09 -0.06 0.05 -0.12 -0.02 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