Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 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 Cl Cl F O O O N C C C C C C C C C C 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 1 1 2 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:.8476,.5169,2.1628;7.397,-.8071,.293;-3.2941,-4.2866,-.373;-3.0589,1.9167,.1322;-3.2132,1.3841,-2.0304;-1.2452,-2.7126,.3823;-4.8607,1.7646,2.8844;-.6586,3.6512,-.7056;-.2498,2.3645,-.0508;-1.1936,2.3417,-1.2481;.3063,4.3743,-1.6145;-1.5374,4.5955,.0788;1.0969,1.8006,-.169;-2.575,1.8491,-1.1183;1.713,1.0336,.7351;-4.233,1.1748,.4177;3.108,.575,.6485;-4.0025,-.3142,.2786;3.5599,-.5524,1.335;4.0259,1.2714,-.1426;-4.5685,1.5173,1.8001;4.8717,-.9834,1.2272;5.3376,.8479,-.2648;-2.7381,-.8384,.5039;-5.0409,-1.143,-.1192;5.7535,-.2808,.4241;-2.495,-2.1769,.2547;-4.8173,-2.4981,-.3067;-3.5414,-2.9959,-.1405;-.2586,-2.2848,-.4777;-.4966,-1.483,-1.5875;1.0268,-2.7249,-.1867;.5723,-1.114,-2.3958;2.0772,-2.3598,-1.0133;1.8599,-1.5462,-2.1178;-.7355,2.1844,.8999;-.7576,2.0405,-2.1938;-.2376,5.0638,-2.2617;.8735,3.704,-2.2587;1.0155,4.9604,-1.028;-2.1301,4.1043,.8464;-2.2164,5.1338,-.5846;-.9112,5.3362,.5787;1.6566,2.0358,-1.0667;-5.073,1.4866,-.212;2.8886,-1.1248,1.9593;3.7323,2.1747,-.66;-1.9147,-.2157,.8336;5.194,-1.8635,1.7664;6.029,1.4084,-.8789;-6.0272,-.7347,-.2969;-5.6184,-3.1551,-.6173;-1.49,-1.1386,-1.8412;1.1998,-3.3521,.6784;.3835,-.4826,-3.2542;3.0752,-2.709,-.7847;2.6856,-1.253,-2.752; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1961 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 264 Dim 1415 ENuc 4081.0101845051 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.166e-06 Time for diagonalization 0.354 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.341 sec Total time needed 0.702 sec 17 17 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:.8476,.5169,2.1628;7.397,-.8071,.293;-3.2941,-4.2866,-.373;-3.0589,1.9167,.1322;-3.2132,1.3841,-2.0304;-1.2452,-2.7126,.3823;-4.8607,1.7646,2.8844;-.6586,3.6512,-.7056;-.2498,2.3645,-.0508;-1.1936,2.3417,-1.2481;.3063,4.3743,-1.6145;-1.5374,4.5955,.0788;1.0969,1.8006,-.169;-2.575,1.8491,-1.1183;1.713,1.0336,.7351;-4.233,1.1748,.4177;3.108,.575,.6485;-4.0025,-.3142,.2786;3.5599,-.5524,1.335;4.0259,1.2714,-.1426;-4.5685,1.5173,1.8001;4.8717,-.9834,1.2272;5.3376,.8479,-.2648;-2.7381,-.8384,.5039;-5.041,-1.143,-.1192;5.7535,-.2808,.4241;-2.495,-2.1769,.2547;-4.8173,-2.4981,-.3067;-3.5414,-2.9959,-.1405;-.2586,-2.2848,-.4777;-.4966,-1.483,-1.5875;1.0268,-2.7249,-.1867;.5723,-1.114,-2.3958;2.0772,-2.3598,-1.0133;1.8599,-1.5462,-2.1178;-.7355,2.1844,.8999;-.7576,2.0405,-2.1938;-.2376,5.0638,-2.2617;.8735,3.704,-2.2587;1.0155,4.9604,-1.028;-2.1301,4.1043,.8464;-2.2164,5.1338,-.5846;-.9112,5.3362,.5787;1.6566,2.0358,-1.0667;-5.073,1.4866,-.212;2.8886,-1.1248,1.9593;3.7323,2.1747,-.66;-1.9147,-.2157,.8336;5.194,-1.8635,1.7664;6.029,1.4084,-.8789;-6.0272,-.7347,-.2969;-5.6184,-3.1551,-.6173;-1.49,-1.1386,-1.8412;1.1998,-3.3521,.6784;.3835,-.4826,-3.2542;3.0752,-2.709,-.7847;2.6856,-1.253,-2.752; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:.8476,.5169,2.1628;7.397,-.8071,.293;-3.2941,-4.2866,-.373;-3.0589,1.9167,.1322;-3.2132,1.3841,-2.0304;-1.2452,-2.7126,.3823;-4.8607,1.7646,2.8844;-.6586,3.6512,-.7056;-.2498,2.3645,-.0508;-1.1936,2.3417,-1.2481;.3063,4.3743,-1.6145;-1.5374,4.5955,.0788;1.0969,1.8006,-.169;-2.575,1.8491,-1.1183;1.713,1.0336,.7351;-4.233,1.1748,.4177;3.108,.575,.6485;-4.0025,-.3142,.2786;3.5599,-.5524,1.335;4.0259,1.2714,-.1426;-4.5685,1.5173,1.8001;4.8717,-.9834,1.2272;5.3376,.8479,-.2648;-2.7381,-.8384,.5039;-5.0409,-1.143,-.1192;5.7535,-.2808,.4241;-2.495,-2.1769,.2547;-4.8173,-2.4981,-.3067;-3.5414,-2.9959,-.1405;-.2586,-2.2848,-.4777;-.4966,-1.483,-1.5875;1.0268,-2.7249,-.1867;.5723,-1.114,-2.3958;2.0772,-2.3598,-1.0133;1.8599,-1.5462,-2.1178;-.7355,2.1844,.8999;-.7576,2.0405,-2.1938;-.2376,5.0638,-2.2617;.8735,3.704,-2.2587;1.0155,4.9604,-1.028;-2.1301,4.1043,.8464;-2.2164,5.1338,-.5846;-.9112,5.3362,.5787;1.6566,2.0358,-1.0667;-5.073,1.4866,-.212;2.8886,-1.1248,1.9593;3.7323,2.1747,-.66;-1.9147,-.2157,.8336;5.194,-1.8635,1.7664;6.029,1.4084,-.8789;-6.0272,-.7347,-.2969;-5.6184,-3.1551,-.6173;-1.49,-1.1386,-1.8412;1.1998,-3.3521,.6784;.3835,-.4826,-3.2542;3.0752,-2.709,-.7847;2.6856,-1.253,-2.752; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3302 GEPOL Volume 3528.5046 GEPOL Surface-area 1897.4173 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2380.99344558 4081.01018451 -6462.00363008 -11381.13457965 4919.13094956 -0.04486373 -4754.47610815 2373.48266257 2.00316446 131.999880943556 131.999880943556 263.999761887112 -182.590818504024 0 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 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86.7567 86.8297 86.9875 87.1052 87.1973 87.2851 87.4939 87.6752 87.7387 87.9088 88.0145 88.0554 88.0819 88.2039 88.3686 88.6242 88.6743 88.7636 88.9179 89.0408 89.2017 89.2691 89.3386 89.4098 89.5156 89.5897 89.6996 89.7553 89.8948 89.9253 90.0934 90.1974 90.2872 90.3337 90.4678 90.5728 90.6316 90.9082 91.0645 91.0901 91.1683 91.2467 91.3773 91.4282 91.5705 91.6711 91.7767 91.8869 91.9576 92.0347 92.1645 92.3973 92.4241 92.4776 92.5883 92.7906 92.8493 92.9187 92.9938 93.1580 93.2515 93.3387 93.4025 93.4238 93.5692 93.6499 93.7238 93.8176 93.8935 93.9768 94.1051 94.1248 94.2865 94.4354 94.5034 94.5436 94.7069 94.7779 94.8737 95.1018 95.2099 95.3133 95.3821 95.4083 95.6000 95.6319 95.8877 95.9016 95.9912 96.2222 96.5161 96.5387 96.6596 96.7431 96.8564 97.0013 97.1311 97.3108 97.3484 97.5298 97.6110 97.7277 97.8681 97.9921 98.0506 98.2258 98.3629 98.4460 98.4997 98.6647 98.7640 98.9535 99.0140 99.0468 99.1818 99.3198 99.4349 99.5200 99.6059 99.6613 99.8893 100.1135 100.1678 100.2298 100.4796 100.5697 100.7680 100.8564 100.9610 101.2105 101.3053 101.4450 101.5536 101.6939 101.9196 101.9851 102.0640 102.3443 102.4348 102.8007 102.9386 103.0642 103.1614 103.3257 103.3821 103.5126 103.6015 103.8422 103.9285 104.1289 104.3683 104.4920 104.5974 104.7978 104.9392 105.0783 105.1718 105.2833 105.3180 105.5144 105.5731 105.8440 105.8810 105.9747 106.1567 106.1826 106.3675 106.5392 106.6958 106.8575 106.9130 106.9383 107.0318 107.0913 107.1745 107.3950 107.4393 107.7460 107.8621 107.9315 108.1499 108.2786 108.4337 108.6864 108.8264 108.9992 109.0746 109.2820 109.3555 109.4070 109.6627 109.8177 109.9709 110.1426 110.2955 110.3081 110.4442 110.5064 110.6421 110.7498 110.8065 110.8770 110.9304 111.2519 111.4411 111.6414 111.7914 111.9474 112.1145 112.1427 112.2433 112.3410 112.5105 112.7296 112.7706 112.9646 113.0672 113.1724 113.3375 113.6368 113.7157 113.8491 113.9279 113.9952 114.2044 114.4915 114.5003 114.5889 114.8508 115.0202 115.1137 115.2169 115.3589 115.5680 115.7171 115.7994 116.0044 116.1251 116.3269 116.4053 116.7034 116.8583 116.9899 117.0553 117.1582 117.2012 117.4126 117.4213 117.5697 117.7040 117.8188 117.8662 118.0999 118.1345 118.2155 118.2661 118.3707 118.5816 118.6358 118.7777 118.8867 119.0126 119.1532 119.2077 119.2463 119.4447 119.4924 119.6945 119.7285 119.9109 119.9734 120.1471 120.2330 120.4946 120.6362 120.7172 120.8123 120.8679 121.0603 121.3686 121.6705 121.7059 121.8169 122.0721 122.1553 122.3066 122.3524 122.5846 122.8018 122.8351 123.0121 123.2403 123.5272 123.5766 123.6812 124.1023 124.3247 124.5822 124.8201 124.8927 125.2747 125.4017 125.5201 125.6647 126.0089 126.1869 126.3779 126.5350 126.6268 126.7874 126.8328 127.0937 127.2740 127.3524 127.5009 127.6417 128.0920 128.2773 128.5318 128.8105 129.0350 129.3072 129.5338 129.6243 129.7723 130.0152 130.2069 130.2724 130.4480 130.5243 130.8579 131.0683 131.2605 131.4531 131.5334 131.6705 131.7662 131.9614 131.9769 132.1139 132.1634 132.3798 132.5096 132.6515 132.8011 133.0788 133.2065 133.2460 133.4649 133.6025 133.6957 133.7640 134.0157 134.2938 134.4076 135.0976 135.2110 135.6903 135.9021 135.9311 136.1123 136.5026 136.6195 136.9280 137.8381 138.0159 138.1218 138.3633 138.5281 138.6874 138.7684 139.0149 139.1329 139.2341 139.6542 139.7562 139.8529 139.9650 140.1998 140.5900 141.1042 141.1994 141.6455 141.8586 142.1898 142.3460 142.7415 142.8069 143.2307 143.4586 143.6698 143.8114 144.1644 144.2716 144.3999 144.6263 145.0184 145.0486 145.1148 145.2682 145.5819 146.0026 146.1222 146.2259 146.4554 146.7317 147.1509 147.4260 147.5637 147.7752 148.1332 148.3785 148.5036 148.6011 148.7083 149.0176 149.2725 149.5178 149.8979 150.0195 150.1254 150.3139 150.4266 150.6264 151.0098 151.1197 151.3010 151.8191 151.9830 152.3389 152.6419 152.9971 153.0919 153.5442 153.9699 154.2803 154.5111 154.6979 155.0829 155.1706 155.4193 155.8369 156.7048 156.9109 157.3637 157.7497 157.9189 158.0717 158.2045 158.3103 158.7590 158.9393 159.3917 159.6358 159.7725 160.1593 160.3699 160.4683 160.6025 160.8279 161.3928 161.6876 161.9364 162.2981 162.7713 163.1012 164.3018 164.7664 165.8095 166.8371 167.1934 168.0881 169.7409 170.2433 171.4741 172.2120 172.5031 173.2536 175.1146 175.9290 177.3008 177.7882 178.9113 179.5324 181.0069 181.7564 182.1136 185.8196 187.0119 188.4758 188.8595 189.2251 189.3474 189.9861 190.9188 192.6880 192.9159 194.2483 195.4239 196.1902 196.5291 198.6228 199.8881 201.3058 205.9819 206.2838 206.6888 207.9959 212.6581 221.6365 222.9201 223.4972 223.9545 224.9411 225.4194 227.4403 228.4524 229.6220 229.7413 229.9029 235.8396 241.0969 247.8159 248.8352 294.9126 297.5313 297.7430 300.4639 312.6029 313.3152 615.9891 618.9647 621.5090 623.5660 625.9655 628.2113 629.6683 630.7470 632.3936 632.5637 633.0050 633.2354 634.9028 635.2248 635.7875 636.1893 637.3254 637.5734 637.9857 639.2054 641.9620 642.7323 644.0078 647.5253 650.9908 655.7127 656.0790 658.5308 710.5746 713.5522 876.7486 1200.7163 1212.9233 1215.2072 1563.1446 -0.0000000 0 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 Cl Cl F O O O N C C C C C C C C C C 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 -0.119481 -0.094848 -0.208962 -0.281180 -0.452018 -0.337502 -0.097670 0.071510 0.090643 -0.064607 -0.286222 -0.267320 -0.190146 0.373142 0.033025 0.378174 0.103680 -0.029940 -0.201044 -0.207530 -0.220360 -0.174141 -0.146189 -0.137231 -0.167328 0.120960 0.171926 -0.171496 0.239300 0.346459 -0.196333 -0.278805 -0.172964 -0.082520 -0.209407 0.091262 0.107420 0.101879 0.094087 0.103502 0.094523 0.102729 0.097916 0.134453 0.152796 0.139005 0.144436 0.133926 0.144884 0.144941 0.153130 0.155820 0.151546 0.142750 0.160007 0.159378 0.156035 0 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 Cl Cl F O O O N C C C C C C C C C C 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 17.1195 17.0948 9.2090 8.2812 8.4520 8.3375 7.0977 5.9285 5.9094 6.0646 6.2862 6.2673 6.1901 5.6269 5.9670 5.6218 5.8963 6.0299 6.2010 6.2075 6.2204 6.1741 6.1462 6.1372 6.1673 5.8790 5.8281 6.1715 5.7607 5.6535 6.1963 6.2788 6.1730 6.0825 6.2094 0.9087 0.8926 0.8981 0.9059 0.8965 0.9055 0.8973 0.9021 0.8655 0.8472 0.8610 0.8556 0.8661 0.8551 0.8551 0.8469 0.8442 0.8485 0.8573 0.8400 0.8406 0.8440 17.0000 17.0000 9.0000 8.0000 8.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1195 -0.0948 -0.2090 -0.2812 -0.4520 -0.3375 -0.0977 0.0715 0.0906 -0.0646 -0.2862 -0.2673 -0.1901 0.3731 0.0330 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0.9996 1.0042 1.0102 1.0235 1.0056 1.0136 1.0070 1.0058 0.9980 0.9954 1.0114 1.0124 0.9930 0.9840 0.9931 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.1170 1.0036 1.0699 1.1268 0.8910 1.8798 0.9324 0.9684 3.0505 0.9159 0.9264 0.9438 0.9482 0.8216 0.9972 1.0050 1.0185 1.0052 0.9888 0.9924 0.9937 0.9862 0.9953 0.9894 1.7824 0.9528 0.9297 0.8895 0.9411 0.9782 1.2718 1.3433 1.3471 1.3709 1.4712 0.9910 1.4742 0.9906 1.3799 0.9847 1.3623 0.9807 1.3541 0.9785 1.4002 0.9814 1.4037 1.4139 0.9821 1.3172 1.3377 1.3641 0.9748 1.4107 1.0078 1.4060 0.9965 1.3483 0.9906 1.0027 0 14 1 25 2 28 3 13 3 15 4 13 5 26 5 29 6 20 7 8 7 9 7 10 7 11 8 9 8 12 8 35 9 13 9 36 10 37 10 38 10 39 11 40 11 41 11 42 12 14 12 43 14 16 15 17 15 20 15 44 16 18 16 19 17 23 17 24 18 21 18 45 19 22 19 46 21 25 21 48 22 25 22 49 23 26 23 47 24 27 24 50 26 28 27 28 27 51 29 30 29 31 30 32 30 52 31 33 31 53 32 34 32 54 33 34 33 55 34 56 -0.040104561 -2381.033550140438 -6.82392 7.11783 0.29391 26.00729 -24.33893 1.66837 -15.65363 13.77244 -1.88119 2.53154 6.43467