Orca 5.0.2 RELEASE 1 2 3 4 5 17s13p8d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 6s5p4d1f 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 Br Br Br Br 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 H H H H H H H H H H H H H H H H H H H 1 1 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 645.8563000000003 AuxInfo=1/0/N:13,14,30,28,29,23,21,26,27,24,20,19,18,25,22,17,10,11,12,15,9,16,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,15.3,20.3,27.1,28.1/rA:49nBrBrBrBrOO1ON1CCCCCCC3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s1s10;s9;s9;s5s6s11;s2s3s4s12;s5;s17;s8s17;s18;s18;s7s20;s21;s22s23;s7;s25;s25;s26;s27;s28s29;s10;s11;s12;s13;s13;s13;s14;s14;s14;s17;s20;s21;s23;s24;s26;s27;s28;s29;s30;/rC:4.017,-1.829,-.8183;3.3038,-.316,2.2176;.7898,-2.1756,2.5098;3.6309,-3.4437,2.1764;-2.3111,-.6639,-.1378;-.8077,.9642,.1413;-4.1869,4.7776,-1.3675;-5.4952,-1.1691,.5425;.7698,-1.01,-1.808;1.3704,-.9431,-.4381;-.1043,-1.2102,-.5804;2.2873,-2.0053,.0941;.9467,-2.2309,-2.6782;.7005,.2717,-2.6009;-1.0609,-.1752,-.1484;2.5045,-1.9697,1.6166;-3.3481,.2649,.1458;-3.5804,1.2368,-.9896;-4.5421,-.5537,.3655;-3.801,2.5729,-.6976;-3.5907,.7892,-2.3053;-4.0284,3.4745,-1.7298;-3.8051,1.7027,-3.3251;-4.0218,3.0457,-3.0511;-4.9498,5.6276,-2.1244;-4.4358,6.8925,-2.3686;-6.2159,5.2743,-2.5749;-5.1991,7.814,-3.0716;-6.9614,6.2008,-3.2892;-6.4596,7.4714,-3.54;1.6208,.0642,-.1205;-.4484,-2.2296,-.4447;1.9198,-3.0036,-.1574;1.8646,-2.1618,-3.263;.9731,-3.1645,-2.1164;.1145,-2.3037,-3.3806;.6176,1.1605,-1.9789;1.6066,.3779,-3.1999;-.149,.2577,-3.2863;-3.1484,.8084,1.0757;-3.7902,2.9213,.3284;-3.429,-.255,-2.5413;-3.8024,1.3685,-4.3542;-4.176,3.7418,-3.8655;-3.45,7.1537,-2.0047;-6.6222,4.2912,-2.3714;-4.8001,8.8029,-3.257;-7.946,5.9262,-3.6453;-7.0493,8.1901,-4.0938; 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 1715 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 322 Dim 1264 ENuc 5408.0241506600 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 6.861e-06 Time for diagonalization 0.426 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.381 sec Total time needed 0.814 sec 35 35 35 35 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.8563000000003 AuxInfo=1/0/N:13,14,30,28,29,23,21,26,27,24,20,19,18,25,22,17,10,11,12,15,9,16,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,15.3,20.3,27.1,28.1/rA:49nBrBrBrBrOO1ON1CCCCCCC3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s1s10;s9;s9;s5s6s11;s2s3s4s12;s5;s17;s8s17;s18;s18;s7s20;s21;s22s23;s7;s25;s25;s26;s27;s28s29;s10;s11;s12;s13;s13;s13;s14;s14;s14;s17;s20;s21;s23;s24;s26;s27;s28;s29;s30;/rC:4.017,-1.829,-.8183;3.3038,-.316,2.2176;.7898,-2.1756,2.5098;3.6309,-3.4437,2.1764;-2.3111,-.6639,-.1378;-.8077,.9642,.1413;-4.1869,4.7776,-1.3675;-5.4952,-1.1691,.5425;.7698,-1.01,-1.808;1.3704,-.9431,-.4381;-.1043,-1.2102,-.5804;2.2873,-2.0053,.0941;.9467,-2.2309,-2.6782;.7005,.2717,-2.6009;-1.0609,-.1752,-.1484;2.5045,-1.9697,1.6166;-3.3481,.2649,.1458;-3.5804,1.2368,-.9896;-4.5421,-.5537,.3655;-3.801,2.5729,-.6976;-3.5907,.7892,-2.3053;-4.0284,3.4745,-1.7298;-3.8051,1.7027,-3.3251;-4.0218,3.0457,-3.0511;-4.9498,5.6276,-2.1244;-4.4358,6.8925,-2.3686;-6.2159,5.2743,-2.5749;-5.1991,7.814,-3.0716;-6.9614,6.2008,-3.2892;-6.4596,7.4714,-3.54;1.6208,.0642,-.1205;-.4484,-2.2296,-.4447;1.9198,-3.0036,-.1574;1.8646,-2.1618,-3.263;.9731,-3.1645,-2.1164;.1145,-2.3037,-3.3806;.6176,1.1605,-1.9789;1.6066,.3779,-3.1999;-.149,.2577,-3.2863;-3.1484,.8084,1.0757;-3.7902,2.9213,.3284;-3.429,-.255,-2.5413;-3.8024,1.3685,-4.3542;-4.176,3.7418,-3.8655;-3.45,7.1537,-2.0047;-6.6222,4.2912,-2.3714;-4.8001,8.8029,-3.257;-7.946,5.9262,-3.6453;-7.0493,8.1901,-4.0938; 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 "1-OCTANOL" 645.8563000000003 AuxInfo=1/0/N:13,14,30,28,29,23,21,26,27,24,20,19,18,25,22,17,10,11,12,15,9,16,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,15.3,20.3,27.1,28.1/rA:49nBrBrBrBrOO1ON1CCCCCCC3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s1s10;s9;s9;s5s6s11;s2s3s4s12;s5;s17;s8s17;s18;s18;s7s20;s21;s22s23;s7;s25;s25;s26;s27;s28s29;s10;s11;s12;s13;s13;s13;s14;s14;s14;s17;s20;s21;s23;s24;s26;s27;s28;s29;s30;/rC:4.017,-1.829,-.8183;3.3038,-.316,2.2176;.7898,-2.1756,2.5098;3.6309,-3.4437,2.1764;-2.3111,-.6639,-.1378;-.8077,.9642,.1413;-4.1869,4.7776,-1.3675;-5.4952,-1.1691,.5425;.7698,-1.01,-1.808;1.3704,-.9431,-.4381;-.1043,-1.2102,-.5804;2.2873,-2.0053,.0941;.9467,-2.2309,-2.6782;.7005,.2717,-2.6009;-1.0609,-.1752,-.1484;2.5045,-1.9697,1.6166;-3.3481,.2649,.1458;-3.5804,1.2368,-.9896;-4.5421,-.5537,.3655;-3.801,2.5729,-.6976;-3.5907,.7892,-2.3053;-4.0284,3.4745,-1.7298;-3.8051,1.7027,-3.3251;-4.0218,3.0457,-3.0511;-4.9498,5.6276,-2.1244;-4.4358,6.8925,-2.3686;-6.2159,5.2743,-2.5749;-5.1991,7.814,-3.0716;-6.9614,6.2008,-3.2892;-6.4596,7.4714,-3.54;1.6208,.0642,-.1205;-.4484,-2.2296,-.4447;1.9198,-3.0036,-.1574;1.8646,-2.1618,-3.263;.9731,-3.1645,-2.1164;.1145,-2.3037,-3.3806;.6176,1.1605,-1.9789;1.6066,.3779,-3.1999;-.149,.2577,-3.2863;-3.1484,.8084,1.0757;-3.7902,2.9213,.3284;-3.429,-.255,-2.5413;-3.8024,1.3685,-4.3542;-4.176,3.7418,-3.8655;-3.45,7.1537,-2.0047;-6.6222,4.2912,-2.3714;-4.8001,8.8029,-3.257;-7.946,5.9262,-3.6453;-7.0493,8.1901,-4.0938; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br O N C H 3.0600 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2614 GEPOL Volume 4375.5599 GEPOL Surface-area 1990.0166 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.4s -11427.14555990 5408.02415066 -16835.16971056 -26646.80388684 9811.63417628 -0.03159255 -22834.80962717 11407.66406728 2.00170775 161.000128140686 161.000128140686 322.000256281372 -389.800168048640 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 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715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 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1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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106.3789 106.4756 106.6435 106.6990 106.8866 107.0151 107.3261 107.5106 107.5522 107.6611 107.8139 108.0721 108.1054 108.2544 108.4008 108.8376 108.8786 109.2980 109.3797 109.5723 109.6819 109.8530 109.8758 110.0847 110.3052 110.3439 110.4765 110.7415 110.9043 111.0468 111.1140 111.2760 111.4169 111.5154 111.7413 111.9368 112.3363 112.5118 112.6009 112.8112 112.8725 112.9312 113.0874 113.2255 113.3582 113.3935 113.6049 113.6953 113.8331 113.9790 114.0208 114.2859 114.3122 114.4530 114.6810 114.8224 114.9520 115.0874 115.2235 115.3007 115.4855 115.6905 115.7515 115.8074 115.9692 116.1408 116.1982 116.4395 116.5565 116.6237 116.7286 116.9145 117.1360 117.2332 117.3862 117.3997 117.6190 117.6914 117.8135 117.8549 118.0002 118.1189 118.2790 118.3260 118.4923 118.4968 118.5966 118.7936 118.8604 119.1975 119.2537 119.4135 119.5536 119.6367 119.7768 120.0131 120.1174 120.3427 120.3917 120.4865 120.7008 120.7840 120.8466 120.9527 121.2178 121.3772 121.4939 121.7830 121.8180 122.0524 122.1608 122.5737 122.8791 123.0431 123.1238 123.4227 123.7308 124.0036 124.1860 124.5226 124.7935 124.8172 125.0479 125.6628 125.7540 125.9900 126.1841 126.3955 126.5146 126.8706 127.0498 127.4787 127.6332 127.8685 128.0696 128.2968 128.7337 128.9735 129.1185 129.2044 129.4679 129.5103 129.5931 129.7486 129.9217 130.1852 130.2882 130.4067 130.6342 130.7559 130.8254 131.0112 131.3278 131.3747 131.5733 131.9374 132.1242 132.1840 132.3677 132.4820 132.6372 132.8308 133.0915 133.1885 133.6480 134.0733 134.2015 134.4653 134.7115 134.8998 135.0287 135.5107 135.5499 135.7608 136.0912 136.3924 136.5395 137.0663 137.1302 138.0450 138.1101 138.2677 138.5193 138.8087 139.0967 139.2887 139.4807 139.5767 139.6605 140.4598 140.6003 141.1437 141.3570 141.7829 142.0043 142.2638 142.9143 142.9784 143.3467 143.7188 144.0309 144.2360 144.2904 144.3924 144.6211 144.7167 145.1409 145.5604 145.7271 145.9053 146.0888 146.3812 146.5529 146.8850 147.2684 147.3526 147.5466 147.7972 148.1344 148.2537 148.5297 148.6987 149.0158 149.4721 149.8819 150.0267 150.0576 150.2981 150.7064 150.9880 151.1549 151.6914 152.2751 152.3970 152.4457 152.8894 153.2625 154.0155 154.6425 154.8709 154.9140 155.6729 155.7823 155.9021 156.4719 156.6012 157.0642 157.2724 157.4553 157.8589 158.0731 158.9505 159.4402 159.5356 159.7414 159.7899 160.3310 160.7337 160.9214 161.4973 162.0595 162.2415 162.5690 164.0405 164.6610 165.5713 166.8340 167.8757 169.2614 170.2921 171.9494 172.2868 172.8866 173.0805 174.0440 175.5325 177.7081 177.9204 179.1105 180.9511 182.5341 184.9791 186.4880 187.0667 187.3329 189.1329 189.6341 192.0311 192.3655 193.2922 195.4678 196.3193 199.1158 202.1023 205.0096 206.6750 207.0179 209.7952 211.3012 211.7198 212.8221 605.0816 617.9996 621.1170 625.6551 627.2522 631.1335 631.4715 631.8999 632.5760 633.6579 634.3259 635.1535 636.6309 636.7213 637.5434 639.7606 642.3597 643.1190 648.1158 650.8683 657.3149 658.0165 876.1756 1200.6737 1212.9745 1214.9130 -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 Br Br Br Br 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 H H H H H H H H H H H H H H H H H H H -0.080682 -0.011372 -0.011359 -0.002038 -0.272988 -0.422482 -0.323966 -0.086133 0.099622 -0.088244 -0.148347 -0.158909 -0.262222 -0.261464 0.371796 0.035939 0.407979 0.046399 -0.227551 -0.240434 -0.246724 0.276234 -0.132354 -0.179746 0.276701 -0.241192 -0.193242 -0.124599 -0.143254 -0.179252 0.116483 0.119793 0.168074 0.098564 0.092420 0.108643 0.096985 0.102431 0.099127 0.141159 0.133469 0.147868 0.160303 0.157489 0.146634 0.159188 0.157990 0.159162 0.158098 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 Br Br Br Br 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 H H H H H H H H H H H H H H H H H H H 35.0807 35.0114 35.0114 35.0020 8.2730 8.4225 8.3240 7.0861 5.9004 6.0882 6.1483 6.1589 6.2622 6.2615 5.6282 5.9641 5.5920 5.9536 6.2276 6.2404 6.2467 5.7238 6.1324 6.1797 5.7233 6.2412 6.1932 6.1246 6.1433 6.1793 0.8835 0.8802 0.8319 0.9014 0.9076 0.8914 0.9030 0.8976 0.9009 0.8588 0.8665 0.8521 0.8397 0.8425 0.8534 0.8408 0.8420 0.8408 0.8419 35.0000 35.0000 35.0000 35.0000 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 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 -0.0807 -0.0114 -0.0114 -0.0020 -0.2730 -0.4225 -0.3240 -0.0861 0.0996 -0.0882 -0.1483 -0.1589 -0.2622 -0.2615 0.3718 0.0359 0.4080 0.0464 -0.2276 -0.2404 -0.2467 0.2762 -0.1324 -0.1797 0.2767 -0.2412 -0.1932 -0.1246 -0.1433 -0.1793 0.1165 0.1198 0.1681 0.0986 0.0924 0.1086 0.0970 0.1024 0.0991 0.1412 0.1335 0.1479 0.1603 0.1575 0.1466 0.1592 0.1580 0.1592 0.1581 1.1840 1.2228 1.2264 1.2301 2.1250 2.0914 2.0816 3.1129 3.8713 3.7461 3.8636 4.0658 3.8981 3.8969 4.1998 4.3513 3.7142 3.5994 4.0775 4.0875 3.9631 3.7616 3.9112 3.9146 3.6895 4.0100 3.9203 3.8856 3.8899 3.9023 1.0458 1.0234 0.9943 1.0061 1.0040 1.0027 1.0167 1.0039 1.0020 1.0175 1.0191 1.0129 0.9906 0.9959 1.0076 0.9957 0.9893 0.9903 0.9904 1.1840 1.2228 1.2264 1.2301 2.1250 2.0914 2.0816 3.1129 3.8713 3.7461 3.8636 4.0658 3.8981 3.8969 4.1998 4.3513 3.7142 3.5994 4.0775 4.0875 3.9631 3.7616 3.9112 3.9146 3.6895 4.0100 3.9203 3.8856 3.8899 3.9023 1.0458 1.0234 0.9943 1.0061 1.0040 1.0027 1.0167 1.0039 1.0020 1.0175 1.0191 1.0129 0.9906 0.9959 1.0076 0.9957 0.9893 0.9903 0.9904 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 1.0523 1.0952 1.0876 1.1188 1.1503 0.8575 1.9494 0.9700 0.9182 3.0575 0.9609 0.8556 0.9489 0.9455 0.9445 0.8922 0.9643 1.0010 1.0159 0.9796 0.9954 0.9936 0.9865 0.9868 0.9848 0.9867 0.9934 0.8872 0.9350 0.9857 1.4240 1.3084 1.4062 0.9723 1.4469 1.0004 1.3555 1.4138 0.9773 0.9647 1.3908 1.3548 1.4285 0.9829 1.4202 0.9708 1.4071 0.9780 1.4108 0.9761 0.9811 0 11 1 15 2 15 3 15 4 14 4 16 5 14 6 21 6 24 7 18 8 9 8 10 8 12 8 13 9 10 9 11 9 30 10 14 10 31 11 15 11 32 12 33 12 34 12 35 13 36 13 37 13 38 16 17 16 18 16 39 17 19 17 20 19 21 19 40 20 22 20 41 21 23 22 23 22 42 23 43 24 25 24 26 25 27 25 44 26 28 26 45 27 29 27 46 28 29 28 47 29 48 -0.029236290 -11427.174796186424 -146.39917 146.53244 0.13326 101.77382 -101.38284 0.39098 -96.34477 94.29637 -2.04840 2.08964 5.31144