Orca 5.0.4 RELEASE 1 2 3 4 8s4p1d 8s4p1d 8s4p1d 4s 4s2p1d 4s2p1d 4s2p1d 2s 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 N C C C C C C C F F N 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 1 2 2 2 2 2 2 2 3 3 1 2 2 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 294.21350639999986 AuxInfo=1/0/N:5,15,21,4,6,14,16,20,22,3,7,13,17,19,23,2,12,18,8,9,10,1,11/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)(20,21)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3/rA:39nNC3C3C3C3C3C3CFFNC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s8;s8;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s1;s3;s4;s5;s6;s7;s13;s14;s15;s16;s17;s19;s20;s21;s22;s23;/rC:1.2954,-1.3592,-1.0584;2.2311,-1.1696,-.0508;2.8763,-2.3,.456;3.8046,-2.1889,1.475;4.1021,-.9513,2.0264;3.4618,.1712,1.5262;2.5407,.0781,.4937;.4684,-.373,-1.6075;1.1682,.6218,-2.2138;-.2079,-.9961,-2.6307;-.3919,.219,-.6643;-.9135,1.5271,-.8649;-1.4035,1.9743,-2.0881;-1.9177,3.2574,-2.1999;-1.9695,4.0965,-1.0975;-1.494,3.646,.1252;-.9604,2.373,.2385;-1.1929,-.6542,.1361;-2.4587,-1.0239,-.3056;-3.259,-1.8403,.4768;-2.7973,-2.2995,1.7021;-1.5362,-1.9296,2.1435;-.7361,-1.1047,1.3673;1.3592,-2.2116,-1.5877;2.6364,-3.2777,.0548;4.2903,-3.0816,1.8466;4.8224,-.864,2.8281;3.6846,1.1481,1.9354;2.08,.9822,.1244;-1.3906,1.3275,-2.9546;-2.289,3.5992,-3.1571;-2.3777,5.094,-1.1897;-1.5281,4.2912,.9933;-.58,2.0215,1.1892;-2.822,-.6585,-1.2573;-4.2444,-2.1196,.1281;-3.4217,-2.9378,2.3131;-1.1724,-2.2786,3.1008;.243,-.8086,1.7195; Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 1.024500 XMuePBE 0.123457 Correlation PBE PBE beta parameter CBetaPBE 0.030000 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.420000 ScalDFX 0.580000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF RI-approximation to the Coulomb term is turned on functions 1303 RIJ-ON(X) (HFX calculated with O(N)) on functions 1303 RIJ-COSX (HFX calculated with COS-X)) on IntName C19F2H16N2_opt_orca HFTyp RHF Charge 0 Mult 1 NEL 162 Dim 377 ENuc 1923.8215269121 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-05 Converg. threshold II (energy diff.) 1.000e-08 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 COSX micro iterations for RIJONX calc off CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 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 250 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 4.004e-04 Time for diagonalization 0.019 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.014 sec Total time needed 0.034 sec Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 1.024500 XMuePBE 0.123457 Correlation PBE PBE beta parameter CBetaPBE 0.030000 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.420000 ScalDFX 0.580000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF RI-approximation to the Coulomb term is turned on functions 1303 RIJ-ON(X) (HFX calculated with O(N)) on functions 1303 RIJ-COSX (HFX calculated with COS-X)) on IntName C19F2H16N2_opt_orca HFTyp RHF Charge 0 Mult 1 NEL 162 Dim 377 ENuc 1924.5181929924 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 1 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-05 Converg. threshold II (energy diff.) 1.000e-08 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 COSX micro iterations for RIJONX calc off CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 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 250 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 4.002e-04 Time for diagonalization 0.020 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.014 sec Total time needed 0.035 sec 7 6 6 6 6 6 6 6 9 9 7 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 1 294.21350639999986 AuxInfo=1/0/N:5,15,21,4,6,14,16,20,22,3,7,13,17,19,23,2,12,18,8,9,10,1,11/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)(20,21)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3/rA:39nNC3C3C3C3C3C3CFFNC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s8;s8;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s1;s3;s4;s5;s6;s7;s13;s14;s15;s16;s17;s19;s20;s21;s22;s23;/rC:1.2953,-1.3592,-1.0584;2.2311,-1.1696,-.0508;2.8763,-2.3,.456;3.8046,-2.1889,1.475;4.1021,-.9513,2.0264;3.4618,.1712,1.5262;2.5407,.0781,.4937;.4684,-.373,-1.6075;1.1682,.6218,-2.2138;-.2079,-.9961,-2.6307;-.3919,.219,-.6643;-.9135,1.5271,-.8649;-1.4035,1.9743,-2.0881;-1.9177,3.2574,-2.1999;-1.9695,4.0965,-1.0975;-1.494,3.646,.1252;-.9604,2.373,.2385;-1.1929,-.6542,.1361;-2.4587,-1.0239,-.3056;-3.2589,-1.8403,.4768;-2.7973,-2.2995,1.7021;-1.5362,-1.9296,2.1435;-.7361,-1.1047,1.3673;1.3592,-2.2116,-1.5877;2.6364,-3.2777,.0548;4.2903,-3.0816,1.8466;4.8224,-.864,2.8281;3.6846,1.1481,1.9354;2.08,.9822,.1244;-1.3906,1.3275,-2.9546;-2.289,3.5992,-3.1571;-2.3777,5.094,-1.1897;-1.5281,4.2912,.9933;-.58,2.0215,1.1892;-2.822,-.6585,-1.2573;-4.2444,-2.1196,.1281;-3.4217,-2.9378,2.3131;-1.1724,-2.2786,3.1008;.243,-.8086,1.7195; 0 1 Opt RIJCOSX PBEh-3c output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 8 294.21350639999986 AuxInfo=1/0/N:5,15,21,4,6,14,16,20,22,3,7,13,17,19,23,2,12,18,8,9,10,1,11/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)(20,21)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3/rA:39nNC3C3C3C3C3C3CFFNC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s8;s8;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s1;s3;s4;s5;s6;s7;s13;s14;s15;s16;s17;s19;s20;s21;s22;s23;/rC:1.293,-1.3627,-1.0607;2.2284,-1.1709,-.0528;2.873,-2.2993,.4587;3.7998,-2.1846,1.4786;4.0964,-.9451,2.0262;3.4566,.1755,1.5215;2.5371,.0787,.4879;.4669,-.376,-1.6107;1.1678,.6173,-2.2183;-.2106,-.9981,-2.6334;-.3915,.2173,-.666;-.9122,1.526,-.8648;-1.3991,1.9768,-2.0879;-1.9113,3.2609,-2.1976;-1.9643,4.0974,-1.0932;-1.492,3.6432,.1294;-.9605,2.3693,.2405;-1.1924,-.6559,.1344;-2.4585,-1.0261,-.3058;-3.2575,-1.8425,.4779;-2.7944,-2.3006,1.7029;-1.5331,-1.9301,2.1431;-.7341,-1.1055,1.3654;1.3562,-2.2162,-1.5884;2.6341,-3.2785,.0603;4.2852,-3.0761,1.8539;4.8156,-.855,2.8285;3.6788,1.1537,1.9278;2.0763,.9812,.115;-1.3858,1.3326,-2.9562;-2.2803,3.6052,-3.1548;-2.3709,5.0957,-1.184;-1.5268,4.2863,.9989;-.5823,2.0151,1.1912;-2.8233,-.6608,-1.257;-4.2431,-2.1225,.1303;-3.418,-2.9388,2.3149;-1.1683,-2.278,3.1005;.2454,-.8092,1.7162; 294.21350639999986 AuxInfo=1/0/N:5,15,21,4,6,14,16,20,22,3,7,13,17,19,23,2,12,18,8,9,10,1,11/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)(20,21)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3/rA:39nNC3C3C3C3C3C3CFFNC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s8;s8;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s1;s3;s4;s5;s6;s7;s13;s14;s15;s16;s17;s19;s20;s21;s22;s23;/rC:1.2904,-1.3674,-1.0604;2.2284,-1.1722,-.055;2.8709,-2.2985,.4631;3.7993,-2.1793,1.4812;4.0998,-.9368,2.0199;3.4627,.182,1.5081;2.5417,.0806,.4763;.4645,-.3802,-1.6106;1.1657,.611,-2.221;-.2153,-1.0016,-2.6316;-.3915,.2152,-.6642;-.9111,1.5243,-.8617;-1.3895,1.9803,-2.0861;-1.9001,3.2654,-2.1939;-1.9598,4.0973,-1.0866;-1.4962,3.6379,.1373;-.9664,2.3632,.2467;-1.1947,-.6582,.1342;-2.4587,-1.0307,-.309;-3.2587,-1.8468,.474;-2.799,-2.3012,1.7015;-1.5398,-1.9279,2.1454;-.7395,-1.1041,1.368;1.3509,-2.223,-1.5851;2.6293,-3.2798,.0715;4.2828,-3.0694,1.8619;4.8203,-.843,2.8206;3.6884,1.1622,1.9073;2.0828,.9813,.0975;-1.3718,1.3404,-2.9574;-2.2625,3.6134,-3.1523;-2.365,5.0963,-1.1762;-1.5361,4.2773,1.0093;-.5946,2.0052,1.1985;-2.8215,-.6675,-1.2619;-4.2427,-2.1291,.1238;-3.4237,-2.9389,2.313;-1.1778,-2.2722,3.1051;.2382,-.8054,1.7212; 294.21350639999986 AuxInfo=1/0/N:5,15,21,4,6,14,16,20,22,3,7,13,17,19,23,2,12,18,8,9,10,1,11/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)(20,21)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3/rA:39nNC3C3C3C3C3C3CFFNC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s8;s8;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s1;s3;s4;s5;s6;s7;s13;s14;s15;s16;s17;s19;s20;s21;s22;s23;/rC:1.2901,-1.3664,-1.0634;2.2261,-1.1728,-.0558;2.8656,-2.3003,.4633;3.7919,-2.1832,1.4834;4.0931,-.9415,2.0235;3.4588,.1786,1.5109;2.54,.0793,.4771;.4653,-.3786,-1.6139;1.1674,.6122,-2.2241;-.2151,-.9995,-2.6346;-.3898,.2172,-.667;-.9107,1.5259,-.8641;-1.3889,1.9826,-2.0884;-1.9015,3.267,-2.1952;-1.9635,4.0977,-1.0871;-1.5001,3.6376,.1367;-.9682,2.3637,.2451;-1.191,-.6565,.133;-2.4553,-1.0309,-.3078;-3.2529,-1.8473,.4774;-2.7905,-2.3002,1.7044;-1.5308,-1.9252,2.1457;-.733,-1.1011,1.3662;1.3505,-2.2219,-1.5881;2.6233,-3.281,.0707;4.2733,-3.0742,1.8647;4.8119,-.8492,2.826;3.6852,1.1583,1.9113;2.0834,.981,.0977;-1.37,1.3437,-2.9604;-2.2637,3.6152,-3.1535;-2.3704,5.096,-1.1759;-1.5418,4.2759,1.0095;-.5967,2.0054,1.1969;-2.8202,-.6689,-1.2603;-4.2372,-2.131,.1292;-3.4134,-2.9381,2.3174;-1.1665,-2.2686,3.1049;.2454,-.8014,1.7171; -1040.619985579442 -1040.619986807557 -1040.619984836465 -1040.619984449129 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 N C C C C C C C F F N 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 -0.218230 0.034206 -0.167568 -0.122550 -0.164806 -0.122440 -0.174664 0.307781 -0.157865 -0.187019 -0.121905 0.022974 -0.143046 -0.128904 -0.139907 -0.129413 -0.131323 0.013649 -0.122701 -0.132977 -0.132231 -0.132734 -0.125444 0.270881 0.134043 0.136721 0.135164 0.137042 0.149622 0.145341 0.137563 0.136620 0.137528 0.144716 0.145724 0.137755 0.136963 0.138386 0.153049 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 N C C C C C C C F F N 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 7.8106 5.6174 6.3067 6.2117 6.2444 6.2144 6.2948 4.9516 9.3259 9.3481 7.7200 5.6897 6.2671 6.2213 6.2259 6.2173 6.2513 5.7256 6.2191 6.2236 6.2205 6.2282 6.2500 0.6312 0.7831 0.7809 0.7833 0.7786 0.7434 0.7631 0.7782 0.7795 0.7794 0.7671 0.7692 0.7779 0.7785 0.7768 0.7447 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 9.0000 9.0000 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 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 -0.8106 0.3826 -0.3067 -0.2117 -0.2444 -0.2144 -0.2948 1.0484 -0.3259 -0.3481 -0.7200 0.3103 -0.2671 -0.2213 -0.2259 -0.2173 -0.2513 0.2744 -0.2191 -0.2236 -0.2205 -0.2282 -0.2500 0.3688 0.2169 0.2191 0.2167 0.2214 0.2566 0.2369 0.2218 0.2205 0.2206 0.2329 0.2308 0.2221 0.2215 0.2232 0.2553 2.9395 3.6628 3.8191 3.8591 3.8153 3.8391 3.7965 3.9782 1.0775 1.0601 2.9283 3.7347 3.8032 3.8186 3.8154 3.8186 3.8145 3.7146 3.8007 3.8111 3.8103 3.8131 3.8166 0.8507 0.9117 0.9113 0.9131 0.9109 0.9054 0.9151 0.9110 0.9113 0.9114 0.9096 0.9118 0.9110 0.9109 0.9111 0.8970 2.9395 3.6628 3.8191 3.8591 3.8153 3.8391 3.7965 3.9782 1.0775 1.0601 2.9283 3.7347 3.8032 3.8186 3.8154 3.8186 3.8145 3.7146 3.8007 3.8111 3.8103 3.8131 3.8166 0.8507 0.9117 0.9113 0.9131 0.9109 0.9054 0.9151 0.9110 0.9113 0.9114 0.9096 0.9118 0.9110 0.9109 0.9111 0.8970 -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 0.9222 1.0308 0.8232 1.3416 1.3670 1.4659 0.9174 1.4172 0.9189 1.4292 0.9199 1.4300 0.9194 0.8942 0.9641 0.9377 1.0182 0.9020 0.8613 1.3953 1.4060 1.4146 0.9076 1.4280 0.9190 1.4211 0.9192 1.4262 0.9193 0.9097 1.4084 1.4239 1.4175 0.9117 1.4210 0.9187 1.4261 0.9190 1.4118 0.9187 0.8981 0 1 0 7 0 23 1 2 1 6 2 3 2 24 3 4 3 25 4 5 4 26 5 6 5 27 6 28 7 8 7 9 7 10 10 11 10 17 11 12 11 16 12 13 12 29 13 14 13 30 14 15 14 31 15 16 15 32 16 33 17 18 17 22 18 19 18 34 19 20 19 35 20 21 20 36 21 22 21 37 22 38 -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 N C C C C C C C F F N 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 -0.810587 0.382590 -0.306675 -0.211654 -0.244430 -0.214394 -0.294801 1.048352 -0.325866 -0.348065 -0.719983 0.310282 -0.267108 -0.221340 -0.225910 -0.217309 -0.251271 0.274427 -0.219082 -0.223579 -0.220519 -0.228192 -0.249961 0.368752 0.216883 0.219105 0.216725 0.221441 0.256561 0.236853 0.221761 0.220517 0.220627 0.232947 0.230773 0.222113 0.221504 0.223202 0.255315 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 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 2.0000 2.0000 2.0000 2.0000 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 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 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 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 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -683.1664 -683.1607 -399.0918 -399.0502 -290.4316 -285.6902 -285.4746 -285.4257 -284.3900 -284.3768 -284.3607 -284.3576 -284.3496 -284.3457 -284.3455 -284.3084 -284.3050 -284.3021 -284.2844 -284.2750 -284.2599 -284.1678 -284.0708 -37.8305 -35.9060 -29.6148 -28.4604 -26.1878 -25.9435 -25.6882 -23.1800 -23.0790 -22.9446 -22.8886 -22.8468 -22.3556 -20.5515 -19.2832 -19.0787 -18.9393 -18.7780 -18.5204 -18.1075 -17.3534 -17.2581 -16.9708 -16.4143 -15.9654 -15.5065 -15.1934 -14.7814 -14.5376 -14.1639 -13.9723 -13.8865 -13.7452 -13.6810 -13.5314 -13.3304 -13.1909 -13.1417 -13.1264 -12.9055 -12.6999 -12.1166 -11.7641 -11.5614 -11.4448 -11.3313 -11.2343 -11.1391 -10.9076 -10.8459 -10.1102 -9.1331 -8.3625 -8.0910 -8.0785 -8.0153 -7.2676 -6.9635 0.0345 0.3437 0.4321 0.5634 0.7213 0.9420 3.4586 3.7560 3.9367 4.0372 4.8998 4.9736 5.1542 5.4656 5.5368 5.5600 5.6129 5.6837 5.7378 5.8243 6.0543 6.2983 6.5204 6.6057 6.7595 6.8536 7.1095 7.2358 7.7334 7.9109 8.1684 8.4115 8.7373 8.8562 8.8764 9.1460 9.4238 9.5384 9.9446 10.1453 10.4220 10.6843 11.2074 11.5029 12.2074 12.6063 12.9023 13.2804 13.5867 14.1221 14.2563 14.5036 14.6606 14.9126 15.2676 15.5459 15.6261 15.7456 15.9054 16.1244 16.2559 16.3231 16.6046 16.6230 16.6522 16.8116 16.9219 16.9360 16.9713 17.0580 17.1005 17.1687 17.2754 17.4269 17.4763 17.6253 17.8426 17.9670 18.1200 18.3868 18.5050 18.8780 19.1936 19.4005 19.5845 19.8091 19.8716 20.0704 20.3085 20.6651 21.4412 21.9810 22.3503 22.4691 24.1659 24.6421 24.7060 25.1521 25.4983 25.6440 25.7785 25.9249 26.0187 26.2354 26.3206 26.3381 26.7119 26.8335 27.0635 27.1153 27.3399 27.3830 27.5617 27.8272 28.1118 28.2294 28.5723 28.6783 28.7726 28.9091 28.9424 29.2672 29.3430 29.5599 29.7175 30.0824 30.1535 30.3556 30.6523 31.1385 31.4173 31.6138 31.8122 31.9118 32.2819 32.5492 32.7623 33.4874 33.7428 34.2634 34.3737 34.4045 34.6294 34.9645 35.2912 35.5401 35.8025 35.8449 36.0478 36.3188 36.8556 37.2740 37.7816 38.0805 38.3859 39.0501 39.5213 40.1357 40.5108 40.5560 40.9294 41.3159 41.5902 41.9739 42.0545 42.1144 42.2371 42.2878 42.5099 42.6970 42.7381 43.0854 43.4589 43.9266 44.5619 45.6568 46.4811 46.8246 48.5808 48.7120 49.6250 50.0962 50.5700 50.7338 51.1628 51.4809 51.6580 51.8042 52.0153 52.2132 52.5282 52.8254 53.0013 53.8247 54.4474 54.7746 55.0314 55.2847 56.2423 56.5035 56.6694 57.5734 57.9793 58.2746 58.2942 58.5483 58.9124 59.4478 59.7103 59.8827 59.9141 60.1226 60.1356 60.2270 60.4120 60.5656 60.6267 60.9907 61.5914 62.1235 62.5808 63.1310 63.2950 63.9348 64.4658 64.6017 64.6329 64.8786 64.9810 65.3698 66.2726 66.5152 67.2744 68.0653 69.0384 69.3829 70.2194 71.3213 71.9127 72.0038 72.1507 72.5585 73.4761 73.6429 74.2996 74.5065 74.6945 74.9611 75.0566 75.4481 75.6392 75.9702 76.1581 76.3290 76.4194 77.0066 77.1236 77.8951 78.3195 78.7522 79.5859 80.8054 81.7454 82.3497 84.0439 85.3492 86.8140 87.6161 89.8815 90.6082 94.9469 95.0760 95.2766 360.0592 360.8800 361.4121 371.8090 372.1509 372.2990 372.4331 373.1877 373.8493 383.8875 384.8180 385.2331 385.3924 385.6690 385.8675 386.8247 396.7117 396.8202 397.4013 531.2584 532.7317 896.4118 902.2330 294.21350639999986 AuxInfo=1/0/N:5,15,21,4,6,14,16,20,22,3,7,13,17,19,23,2,12,18,8,9,10,1,11/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)(20,21)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3/rA:39nNC3C3C3C3C3C3CFFNC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s8;s8;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s1;s3;s4;s5;s6;s7;s13;s14;s15;s16;s17;s19;s20;s21;s22;s23;/rC:1.2907,-1.3653,-1.0643;2.2261,-1.173,-.0561;2.8639,-2.3016,.4629;3.7903,-2.1859,1.4833;4.0929,-.9447,2.0237;3.4601,.1764,1.5113;2.5415,.0785,.4772;.4659,-.3772,-1.6141;1.1682,.6138,-2.2238;-.2145,-.9977,-2.6351;-.389,.2184,-.6671;-.9109,1.5266,-.8646;-1.388,1.9833,-2.0892;-1.902,3.2672,-2.1962;-1.9668,4.0973,-1.0878;-1.5044,3.6373,.1364;-.971,2.364,.245;-1.1896,-.6554,.1335;-2.4534,-1.0311,-.3076;-3.2508,-1.8474,.478;-2.7885,-2.2991,1.7055;-1.5292,-1.9228,2.147;-.7317,-1.0987,1.3672;1.3508,-2.2206,-1.5894;2.6202,-3.2818,.0702;4.2702,-3.0777,1.8645;4.8116,-.8536,2.8264;3.6876,1.1556,1.912;2.0862,.981,.0979;-1.3672,1.345,-2.9616;-2.2633,3.6154,-3.1548;-2.3748,5.0952,-1.1768;-1.548,4.2751,1.0094;-.6003,2.0059,1.1971;-2.8182,-.6702,-1.2605;-4.2348,-2.1321,.1296;-3.4112,-2.9369,2.3188;-1.165,-2.2654,3.1065;.2463,-.7979,1.7181; -1040.66280559 1923.82152691 -2964.48433251 -5242.70457945 2278.22024695 -2073.73127189 1033.06846630 2.00735124 81.000342438454 81.000342438454 162.000684876909 -76.845656399669 -7.161238636820 -84.006895036489 -0.030910436 -0.030925445 -0.030916391 -0.030931684 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 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 2.0000 2.0000 2.0000 2.0000 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 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 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 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 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -683.1770 -683.1646 -399.0964 -399.0491 -290.4356 -285.6877 -285.4761 -285.4256 -284.3920 -284.3788 -284.3635 -284.3592 -284.3447 -284.3444 -284.3405 -284.3056 -284.3024 -284.3004 -284.2784 -284.2674 -284.2584 -284.1651 -284.0704 -37.8418 -35.9137 -29.6161 -28.4533 -26.1869 -25.9426 -25.6863 -23.1769 -23.0785 -22.9460 -22.8855 -22.8440 -22.3537 -20.5519 -19.2820 -19.0770 -18.9390 -18.7769 -18.5179 -18.1116 -17.3571 -17.2602 -16.9693 -16.4133 -15.9677 -15.5057 -15.1931 -14.7808 -14.5356 -14.1647 -13.9734 -13.8881 -13.7499 -13.6815 -13.5326 -13.3287 -13.1951 -13.1393 -13.1262 -12.9063 -12.7006 -12.1135 -11.7652 -11.5609 -11.4424 -11.3302 -11.2312 -11.1371 -10.9071 -10.8432 -10.1055 -9.1508 -8.3576 -8.0921 -8.0759 -8.0114 -7.2587 -6.9647 0.0365 0.3460 0.4317 0.5662 0.7252 0.9425 3.4633 3.7630 3.9376 4.0356 4.8998 4.9824 5.1570 5.4668 5.5444 5.5662 5.6085 5.6819 5.7421 5.8238 6.0573 6.3033 6.5166 6.6036 6.7642 6.8516 7.1037 7.2396 7.7291 7.9165 8.1632 8.4191 8.7406 8.8535 8.8765 9.1300 9.4234 9.5380 9.9510 10.1408 10.4190 10.6842 11.2102 11.4925 12.2165 12.5995 12.9074 13.2715 13.5913 14.1207 14.2589 14.5058 14.6653 14.9210 15.2673 15.5324 15.6256 15.7534 15.9101 16.1249 16.2579 16.3337 16.6087 16.6248 16.6566 16.8128 16.9243 16.9393 16.9683 17.0613 17.1044 17.1710 17.2746 17.4274 17.4813 17.6305 17.8537 17.9844 18.1177 18.3944 18.5152 18.8870 19.2028 19.3881 19.5615 19.7772 19.8796 20.0804 20.3142 20.6776 21.4418 21.9956 22.3391 22.4734 24.1624 24.6451 24.7071 25.1562 25.4968 25.6540 25.7819 25.9382 26.0235 26.2338 26.3215 26.3436 26.7233 26.8550 27.0641 27.1059 27.3452 27.3818 27.5649 27.8251 28.0983 28.2367 28.5811 28.6807 28.7852 28.9170 28.9424 29.2617 29.3412 29.5740 29.7459 30.0754 30.1516 30.3755 30.6551 31.1405 31.4097 31.6027 31.8161 31.8889 32.2738 32.5299 32.7625 33.4963 33.7315 34.2591 34.3574 34.4004 34.6562 34.9471 35.2883 35.5381 35.8067 35.8542 36.0364 36.3099 36.9049 37.2560 37.7880 38.1039 38.4471 39.0437 39.4931 40.1375 40.5091 40.5618 40.9437 41.3266 41.5927 41.9784 42.0542 42.1179 42.2456 42.2944 42.5004 42.7051 42.7404 43.0902 43.4260 43.9257 44.5618 45.6448 46.4380 46.8271 48.5795 48.7234 49.6246 50.0929 50.5761 50.7307 51.1797 51.4891 51.6456 51.8097 52.0145 52.2312 52.5315 52.8404 53.0271 53.8283 54.4406 54.7762 55.0292 55.2937 56.2522 56.5075 56.6720 57.5856 57.9859 58.2757 58.2947 58.5540 58.9007 59.4649 59.7179 59.8869 59.9224 60.1237 60.1381 60.2296 60.4082 60.5694 60.6368 61.0001 61.6075 62.1178 62.5735 63.1309 63.2893 63.9354 64.4730 64.5985 64.6471 64.8739 64.9805 65.3562 66.2483 66.5187 67.2872 68.0571 69.0340 69.3732 70.2269 71.3136 71.9206 72.0173 72.1564 72.5591 73.4868 73.6477 74.3046 74.5010 74.6875 74.9659 75.0622 75.4550 75.6517 75.9727 76.1648 76.3361 76.4254 77.0038 77.1244 77.8488 78.3255 78.7529 79.5953 80.8047 81.7458 82.3312 84.0554 85.3268 86.8417 87.6066 89.9131 90.5952 94.9471 95.0831 95.2763 360.0638 360.8874 361.4106 371.8104 372.1552 372.3033 372.4417 373.1902 373.8348 383.8939 384.8189 385.2342 385.3968 385.6640 385.8677 386.8399 396.7163 396.8219 397.3999 531.2716 532.7598 896.4418 902.2484 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 N C C C C C C C F F N 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 -0.810830 0.381675 -0.306070 -0.211880 -0.244330 -0.214583 -0.294352 1.048495 -0.326030 -0.347400 -0.719522 0.311390 -0.268567 -0.220778 -0.226652 -0.216877 -0.251514 0.272972 -0.219283 -0.223448 -0.220566 -0.228260 -0.249391 0.368606 0.216891 0.219107 0.216717 0.221518 0.256765 0.236951 0.221736 0.220343 0.220570 0.233342 0.230808 0.222176 0.221484 0.223250 0.255535 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 N C C C C C C C F F N 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 -0.218638 0.034126 -0.167474 -0.122704 -0.164694 -0.122634 -0.174279 0.307699 -0.157836 -0.186066 -0.121870 0.023131 -0.143531 -0.128886 -0.140321 -0.129393 -0.131588 0.013474 -0.122665 -0.132983 -0.132164 -0.132781 -0.125359 0.270816 0.134073 0.136708 0.135147 0.137077 0.149779 0.145332 0.137521 0.136554 0.137509 0.144825 0.145823 0.137783 0.136954 0.138418 0.153115 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 N C C C C C C C F F N 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 7.8108 5.6183 6.3061 6.2119 6.2443 6.2146 6.2944 4.9515 9.3260 9.3474 7.7195 5.6886 6.2686 6.2208 6.2267 6.2169 6.2515 5.7270 6.2193 6.2234 6.2206 6.2283 6.2494 0.6314 0.7831 0.7809 0.7833 0.7785 0.7432 0.7630 0.7783 0.7797 0.7794 0.7667 0.7692 0.7778 0.7785 0.7768 0.7445 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 9.0000 9.0000 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 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 -0.8108 0.3817 -0.3061 -0.2119 -0.2443 -0.2146 -0.2944 1.0485 -0.3260 -0.3474 -0.7195 0.3114 -0.2686 -0.2208 -0.2267 -0.2169 -0.2515 0.2730 -0.2193 -0.2234 -0.2206 -0.2283 -0.2494 0.3686 0.2169 0.2191 0.2167 0.2215 0.2568 0.2370 0.2217 0.2203 0.2206 0.2333 0.2308 0.2222 0.2215 0.2232 0.2555 2.9384 3.6632 3.8191 3.8588 3.8154 3.8388 3.7966 3.9780 1.0771 1.0608 2.9289 3.7336 3.8037 3.8190 3.8155 3.8189 3.8136 3.7154 3.8008 3.8110 3.8103 3.8129 3.8164 0.8508 0.9117 0.9113 0.9131 0.9108 0.9056 0.9150 0.9110 0.9114 0.9114 0.9094 0.9119 0.9110 0.9109 0.9111 0.8970 2.9384 3.6632 3.8191 3.8588 3.8154 3.8388 3.7966 3.9780 1.0771 1.0608 2.9289 3.7336 3.8037 3.8190 3.8155 3.8189 3.8136 3.7154 3.8008 3.8110 3.8103 3.8129 3.8164 0.8508 0.9117 0.9113 0.9131 0.9108 0.9056 0.9150 0.9110 0.9114 0.9114 0.9094 0.9119 0.9110 0.9109 0.9111 0.8970 -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 0.9216 1.0304 0.8234 1.3428 1.3668 1.4651 0.9174 1.4177 0.9189 1.4288 0.9199 1.4304 0.9194 0.8939 0.9631 0.9385 1.0178 0.9029 0.8615 1.3951 1.4044 1.4146 0.9076 1.4285 0.9190 1.4205 0.9193 1.4274 0.9193 0.9093 1.4091 1.4236 1.4167 0.9118 1.4215 0.9186 1.4256 0.9191 1.4122 0.9187 0.8980 0 1 0 7 0 23 1 2 1 6 2 3 2 24 3 4 3 25 4 5 4 26 5 6 5 27 6 28 7 8 7 9 7 10 10 11 10 17 11 12 11 16 12 13 12 29 13 14 13 30 14 15 14 31 15 16 15 32 16 33 17 18 17 22 18 19 18 34 19 20 19 35 20 21 20 36 21 22 21 37 22 38 -0.030931143 -1040.619985701032 -2.23509 1.88177 -0.35332 0.89335 -1.25947 -0.36612 12.89092 -12.40535 0.48558 0.70332 1.78771