Orca 5.0.4 RELEASE 1 2 3 8s4p1d 8s4p1d 4s 4s2p1d 4s2p1d 2s 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C F F C C C C C C H H H H H H H H 1 1 2 2 1 1 1 1 1 1 3 3 3 3 3 3 3 3 134.0824064 AuxInfo=1/0/N:1,8,7,9,6,10,5,2,3,4/E:(3,4)(5,6)(9,10)/CRV:2.3,3.3,4.3,5.3,6.3,7.3/rA:18nCCFFC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s1;s1;s1;s6;s7;s8;s9;s10;/rC:2.4866,-.2112,.4461;1.5788,.3337,-.6313;1.8689,-.2848,-1.8113;1.853,1.656,-.821;.1129,.1657,-.3224;-.5783,1.1601,.3599;-1.9139,.9819,.6869;-2.5683,-.1889,.3364;-1.881,-1.183,-.3437;-.5455,-1.0079,-.6723;3.5343,-.0668,.1809;2.3055,-1.2756,.5892;2.2919,.2901,1.393;-.0803,2.0797,.6361;-2.4453,1.7631,1.2143;-3.6109,-.3262,.5914;-2.3869,-2.0973,-.6245;-.0214,-1.7883,-1.2079; 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 578 RIJ-ON(X) (HFX calculated with O(N)) on functions 578 RIJ-COSX (HFX calculated with COS-X)) on IntName C8F2H8_opt_orca HFTyp RHF Charge 0 Mult 1 NEL 74 Dim 166 ENuc 525.1334165936 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 4.189e-04 Time for diagonalization 0.003 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.002 sec Total time needed 0.006 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 578 RIJ-ON(X) (HFX calculated with O(N)) on functions 578 RIJ-COSX (HFX calculated with COS-X)) on IntName C8F2H8_opt_orca HFTyp RHF Charge 0 Mult 1 NEL 74 Dim 166 ENuc 525.1266935754 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 4.183e-04 Time for diagonalization 0.003 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.002 sec Total time needed 0.006 sec 6 6 9 9 6 6 6 6 6 6 1 1 1 1 1 1 1 1 134.0824064 AuxInfo=1/0/N:1,8,7,9,6,10,5,2,3,4/E:(3,4)(5,6)(9,10)/CRV:2.3,3.3,4.3,5.3,6.3,7.3/rA:18nCCFFC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s1;s1;s1;s6;s7;s8;s9;s10;/rC:2.4866,-.2112,.4461;1.5788,.3337,-.6313;1.8689,-.2848,-1.8113;1.853,1.656,-.821;.1129,.1657,-.3224;-.5783,1.1601,.3599;-1.9139,.9819,.6869;-2.5683,-.1889,.3364;-1.881,-1.183,-.3437;-.5455,-1.0079,-.6723;3.5343,-.0668,.1809;2.3055,-1.2756,.5892;2.2919,.2901,1.393;-.0803,2.0797,.6361;-2.4453,1.7631,1.2143;-3.6109,-.3262,.5914;-2.3869,-2.0973,-.6245;-.0214,-1.7883,-1.2079; 0 1 Opt RIJCOSX PBEh-3c output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 8 134.0824064 AuxInfo=1/0/N:1,8,7,9,6,10,5,2,3,4/E:(3,4)(5,6)(9,10)/CRV:2.3,3.3,4.3,5.3,6.3,7.3/rA:18nCCFFC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s1;s1;s1;s6;s7;s8;s9;s10;/rC:2.4866,-.2086,.4474;1.5787,.3323,-.6321;1.8699,-.2894,-1.8105;1.8525,1.6541,-.8268;.1128,.1643,-.3224;-.5771,1.1581,.3616;-1.9127,.9806,.6886;-2.5684,-.1889,.3362;-1.8821,-1.1822,-.3457;-.5466,-1.0078,-.6742;3.5342,-.0651,.1816;2.3057,-1.2724,.5947;2.2922,.296,1.3926;-.0789,2.077,.6394;-2.4429,1.7615,1.2175;-3.611,-.3255,.5911;-2.3886,-2.0956,-.628;-.0239,-1.7881,-1.2112; -508.302828443364 -508.302832451816 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C F F C C C C C C H H H H H H H H -0.364069 0.276323 -0.175219 -0.175136 -0.075325 -0.121384 -0.130147 -0.128980 -0.130142 -0.121224 0.147323 0.145444 0.145643 0.146061 0.138548 0.138201 0.138540 0.145542 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C F F C C C C C C H H H H H H H H 6.7299 5.2374 9.3332 9.3332 6.0609 6.2720 6.2039 6.2253 6.2042 6.2702 0.7498 0.7623 0.7616 0.7642 0.7755 0.7756 0.7755 0.7653 6.0000 6.0000 9.0000 9.0000 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 -0.7299 0.7626 -0.3332 -0.3332 -0.0609 -0.2720 -0.2039 -0.2253 -0.2042 -0.2702 0.2502 0.2377 0.2384 0.2358 0.2245 0.2244 0.2245 0.2347 3.6905 3.8567 1.0716 1.0731 3.6984 3.8193 3.8077 3.8170 3.8090 3.8176 0.9064 0.9065 0.9062 0.9151 0.9097 0.9102 0.9097 0.9149 3.6905 3.8567 1.0716 1.0731 3.6984 3.8193 3.8077 3.8170 3.8090 3.8176 0.9064 0.9065 0.9062 0.9151 0.9097 0.9102 0.9097 0.9149 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.9741 0.9104 0.9122 0.9123 0.9776 0.9771 0.9583 1.3880 1.3834 1.4216 0.9156 1.4245 0.9189 1.4227 0.9186 1.4246 0.9189 0.9163 0 1 0 10 0 11 0 12 1 2 1 3 1 4 4 5 4 9 5 6 5 13 6 7 6 14 7 8 7 15 8 9 8 16 9 17 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C F F C C C C C C H H H H H H H H -0.729927 0.762582 -0.333217 -0.333184 -0.060879 -0.272046 -0.203897 -0.225332 -0.204212 -0.270234 0.250226 0.237744 0.238446 0.235837 0.224490 0.224411 0.224472 0.234720 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 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 -682.9580 -682.9486 -288.7649 -284.7711 -284.5698 -284.5619 -284.5278 -284.5148 -284.5047 -284.1754 -37.3915 -35.6720 -26.4470 -24.1632 -23.0727 -22.6879 -20.0648 -18.9159 -18.4217 -16.9717 -16.6735 -15.7384 -15.2963 -14.3045 -14.1708 -13.5668 -13.4355 -13.2569 -12.6373 -12.4338 -12.2209 -11.7317 -11.6570 -11.0892 -10.4748 -8.2470 -8.2181 0.1167 0.2964 3.7936 4.2926 4.4124 4.8264 5.3652 5.5754 5.7944 5.8628 6.5406 6.6026 7.1304 7.6240 7.8643 8.6997 8.9548 9.6815 10.4418 12.8310 13.0524 13.8698 14.2414 14.4880 15.0208 15.6328 15.7015 15.8653 16.3199 16.8170 16.9124 17.1925 17.4604 17.7707 18.4408 18.8281 19.5156 19.7595 20.5230 20.7066 20.9858 25.1998 25.4096 25.7216 25.9024 26.4391 26.8559 27.1268 27.3987 28.1169 28.5721 28.6769 28.9332 29.5822 29.6244 30.5331 31.1609 31.5572 32.5281 32.6998 33.7725 34.1594 34.7248 34.8553 35.2726 35.7124 35.8350 36.2363 36.9856 39.0595 39.1253 40.3039 40.8071 41.5444 41.8247 42.2062 42.4292 43.7533 45.9325 47.5491 48.1656 48.8578 50.3359 50.9786 51.6291 53.3965 54.6831 55.8081 55.8236 56.2141 57.2042 57.4237 58.1268 59.8416 59.8633 60.3345 60.8631 61.7106 62.1167 62.9740 63.8533 64.7120 65.2241 67.7471 69.9384 70.0577 71.5416 72.3862 74.4252 74.5447 75.7310 76.0899 76.9340 77.8828 79.7221 84.6467 85.3610 85.9388 94.6446 360.3855 370.6940 371.5243 375.8827 384.5997 384.7474 385.9218 396.2921 894.8109 899.5486 134.0824064 AuxInfo=1/0/N:1,8,7,9,6,10,5,2,3,4/E:(3,4)(5,6)(9,10)/CRV:2.3,3.3,4.3,5.3,6.3,7.3/rA:18nCCFFC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s1;s1;s1;s6;s7;s8;s9;s10;/rC:2.4861,-.2024,.4505;1.5785,.3289,-.6339;1.8724,-.3006,-1.8078;1.8509,1.6498,-.8389;.113,.1614,-.3236;-.5742,1.1536,.3648;-1.9097,.9778,.6926;-2.5684,-.1889,.3363;-1.8846,-1.1807,-.3503;-.5492,-1.0077,-.6795;3.5337,-.0607,.184;2.3058,-1.265,.6069;2.2915,.3096,1.3916;-.075,2.0711,.6461;-2.4372,1.7579,1.2252;-3.611,-.3243,.5916;-2.3928,-2.0921,-.6359;-.0297,-1.7876,-1.22; -508.32730262 525.13341659 -1033.46071921 -1737.46599614 704.00527693 -1013.15929971 504.83199709 2.00692370 37.000082936799 37.000082936799 74.000165873598 -36.003048411315 -3.278309195913 -39.281357607228 -0.009971409 -0.009971262 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 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 -682.9507 -682.9475 -288.7659 -284.7720 -284.5675 -284.5629 -284.5274 -284.5138 -284.5044 -284.1749 -37.3834 -35.6610 -26.4525 -24.1664 -23.0761 -22.6889 -20.0649 -18.9158 -18.4232 -16.9736 -16.6650 -15.7359 -15.2966 -14.3042 -14.1716 -13.5621 -13.4348 -13.2586 -12.6317 -12.4359 -12.2176 -11.7335 -11.6603 -11.0923 -10.4762 -8.2488 -8.2207 0.1167 0.2970 3.7928 4.2952 4.3985 4.8277 5.3631 5.5729 5.7953 5.8647 6.5408 6.6039 7.1267 7.6284 7.8656 8.6996 8.9557 9.6845 10.4404 12.8245 13.0518 13.8684 14.2431 14.4887 15.0228 15.6339 15.7003 15.8631 16.3224 16.8213 16.9129 17.1923 17.4613 17.7721 18.4461 18.8353 19.5148 19.7586 20.5276 20.7039 20.9891 25.1959 25.4121 25.7274 25.9003 26.4429 26.8558 27.1288 27.4007 28.1174 28.5753 28.6812 28.9384 29.5885 29.6162 30.5342 31.1729 31.5582 32.5234 32.7053 33.7699 34.1673 34.7262 34.8530 35.2790 35.7163 35.8266 36.2406 36.9752 39.0605 39.1260 40.2945 40.7960 41.5379 41.8239 42.2042 42.4305 43.7579 45.9261 47.5567 48.1534 48.8681 50.3456 50.9829 51.6193 53.3945 54.6737 55.8124 55.8198 56.2159 57.2120 57.4243 58.1340 59.8467 59.8626 60.3427 60.8623 61.7037 62.1043 62.9770 63.8591 64.7196 65.2142 67.7593 69.9359 70.0390 71.5506 72.3837 74.4415 74.5319 75.7421 76.0910 76.9484 77.8932 79.7346 84.6727 85.3757 85.9148 94.6657 360.3864 370.6953 371.5275 375.8819 384.6043 384.7599 385.9202 396.3148 894.8172 899.5304 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C F F C C C C C C H H H H H H H H -0.730214 0.762561 -0.333315 -0.333407 -0.060961 -0.271230 -0.203882 -0.225584 -0.204015 -0.270670 0.250310 0.238099 0.238346 0.235523 0.224516 0.224404 0.224511 0.235005 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C F F C C C C C C H H H H H H H H -0.364148 0.276805 -0.175512 -0.175501 -0.075370 -0.121254 -0.130124 -0.128949 -0.130103 -0.121241 0.147338 0.145564 0.145584 0.145932 0.138530 0.138217 0.138525 0.145709 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 C C F F C C C C C C H H H H H H H H 6.7302 5.2374 9.3333 9.3334 6.0610 6.2712 6.2039 6.2256 6.2040 6.2707 0.7497 0.7619 0.7617 0.7645 0.7755 0.7756 0.7755 0.7650 6.0000 6.0000 9.0000 9.0000 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 -0.7302 0.7626 -0.3333 -0.3334 -0.0610 -0.2712 -0.2039 -0.2256 -0.2040 -0.2707 0.2503 0.2381 0.2383 0.2355 0.2245 0.2244 0.2245 0.2350 3.6903 3.8564 1.0718 1.0722 3.6983 3.8192 3.8083 3.8170 3.8088 3.8184 0.9063 0.9063 0.9062 0.9150 0.9096 0.9102 0.9096 0.9149 3.6903 3.8564 1.0718 1.0722 3.6983 3.8192 3.8083 3.8170 3.8088 3.8184 0.9063 0.9063 0.9062 0.9150 0.9096 0.9102 0.9096 0.9149 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.9741 0.9104 0.9121 0.9122 0.9775 0.9770 0.9584 1.3867 1.3848 1.4227 0.9159 1.4240 0.9189 1.4231 0.9186 1.4240 0.9189 0.9162 0 1 0 10 0 11 0 12 1 2 1 3 1 4 4 5 4 9 5 6 5 13 6 7 6 14 7 8 7 15 8 9 8 16 9 17 -0.009971356 -508.302836993784 -5.05470 4.70800 -0.34671 -3.53866 3.15957 -0.37909 7.02528 -6.26708 0.75819 0.91585 2.32790