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 C C F C C C C C C H H H H H H H H 1 1 2 1 1 1 1 1 1 3 3 3 3 3 3 3 3 115.0840032 AuxInfo=1/0/N:1,7,6,8,5,9,2,4,3/E:(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3/rA:17nCC3FC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s1;s1;s1;s5;s6;s7;s8;s9;/rC:2.674,.5325,-.029;1.6063,-.4434,.2049;2.0454,-1.6303,.4784;.2232,-.269,.1835;-.6363,-1.3657,.4599;-1.9958,-1.1852,.4407;-2.5234,.0737,.1485;-1.6964,1.1632,-.1258;-.3341,1.0017,-.1099;2.3193,1.5182,-.3035;3.3414,.159,-.8109;3.2872,.6136,.8745;-.2299,-2.3412,.6871;-2.6561,-2.0144,.6511;-3.5973,.2084,.134;-2.127,2.1285,-.3502;.2997,1.8503,-.3237; 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 529 RIJ-ON(X) (HFX calculated with O(N)) on functions 529 RIJ-COSX (HFX calculated with COS-X)) on IntName C8FH8_opt_orca HFTyp RHF Charge 1 Mult 1 NEL 64 Dim 151 ENuc 414.4761220230 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 4.420e-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 0.005 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 529 RIJ-ON(X) (HFX calculated with O(N)) on functions 529 RIJ-COSX (HFX calculated with COS-X)) on IntName C8FH8_opt_orca HFTyp RHF Charge 1 Mult 1 NEL 64 Dim 151 ENuc 414.4326385938 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 4.423e-04 Time for diagonalization 0.002 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 0.004 sec 6 6 9 6 6 6 6 6 6 1 1 1 1 1 1 1 1 115.0840032 AuxInfo=1/0/N:1,7,6,8,5,9,2,4,3/E:(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3/rA:17nCC3FC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s1;s1;s1;s5;s6;s7;s8;s9;/rC:2.674,.5325,-.029;1.6063,-.4434,.2049;2.0454,-1.6303,.4784;.2232,-.269,.1835;-.6363,-1.3657,.4599;-1.9958,-1.1852,.4407;-2.5234,.0737,.1485;-1.6964,1.1632,-.1258;-.3341,1.0017,-.1099;2.3193,1.5182,-.3035;3.3414,.159,-.8109;3.2872,.6136,.8745;-.2299,-2.3412,.6871;-2.6561,-2.0144,.6511;-3.5973,.2084,.134;-2.127,2.1285,-.3502;.2997,1.8503,-.3237; 1 1 Opt RIJCOSX PBEh-3c output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 8 115.0840032 AuxInfo=1/0/N:1,7,6,8,5,9,2,4,3/E:(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3/rA:17nCC3FC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s1;s1;s1;s5;s6;s7;s8;s9;/rC:2.6747,.5321,-.028;1.6067,-.4431,.205;2.0454,-1.6316,.4748;.2234,-.2683,.1835;-.6359,-1.3652,.4602;-1.9956,-1.1849,.4414;-2.5237,.0736,.1487;-1.697,1.1632,-.1266;-.3344,1.002,-.1109;2.3203,1.5188,-.3003;3.3409,.1599,-.8115;3.2876,.6115,.8758;-.2298,-2.3407,.6878;-2.6558,-2.0138,.6525;-3.5976,.2077,.1344;-2.128,2.1281,-.3517;.2988,1.8507,-.3254; 115.0840032 AuxInfo=1/0/N:1,7,6,8,5,9,2,4,3/E:(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3/rA:17nCC3FC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s1;s1;s1;s5;s6;s7;s8;s9;/rC:2.6753,.532,-.0264;1.607,-.4434,.2024;2.0452,-1.6332,.4699;.2237,-.2681,.1822;-.6354,-1.3647,.4605;-1.9953,-1.1844,.443;-2.5238,.0736,.1492;-1.6973,1.163,-.128;-.3346,1.002,-.1127;2.321,1.5199,-.2945;3.3411,.1631,-.8118;3.2868,.6079,.8786;-.2297,-2.3402,.6889;-2.6555,-2.0128,.6558;-3.5978,.2073,.1358;-2.1286,2.1274,-.3542;.298,1.8507,-.3289; -408.346866901091 -408.346866355419 -408.346863065698 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 C C F C C C C C C H H H H H H H H -0.357595 0.347119 -0.035528 -0.109374 -0.026563 -0.109668 -0.002237 -0.111927 -0.035424 0.169725 0.203036 0.204953 0.176463 0.173407 0.175727 0.172786 0.165100 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 C C F C C C C C C H H H H H H H H 6.7846 5.3856 9.1971 6.0616 6.1967 6.1973 6.1717 6.1939 6.2213 0.7136 0.6716 0.6713 0.7031 0.7032 0.6952 0.7036 0.7286 6.0000 6.0000 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 -0.7846 0.6144 -0.1971 -0.0616 -0.1967 -0.1973 -0.1717 -0.1939 -0.2213 0.2864 0.3284 0.3287 0.2969 0.2968 0.3048 0.2964 0.2714 3.6147 3.5752 1.2673 3.6388 3.7405 3.7489 3.7196 3.7647 3.7462 0.8901 0.8632 0.8621 0.8881 0.8807 0.8756 0.8806 0.8996 3.6147 3.5752 1.2673 3.6388 3.7405 3.7489 3.7196 3.7647 3.7462 0.8901 0.8632 0.8621 0.8881 0.8807 0.8756 0.8806 0.8996 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 1.0349 0.8874 0.8486 0.8455 1.1263 1.2767 1.1962 1.1907 1.4929 0.8930 1.3431 0.8902 1.3478 0.8862 1.5015 0.8903 0.9018 0 1 0 9 0 10 0 11 1 2 1 3 3 4 3 8 4 5 4 12 5 6 5 13 6 7 6 14 7 8 7 15 8 16 1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 C C F C C C C C C H H H H H H H H -0.784569 0.614423 -0.197067 -0.061558 -0.196745 -0.197329 -0.171692 -0.193884 -0.221323 0.286381 0.328369 0.328685 0.296897 0.296772 0.304838 0.296446 0.271357 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 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 -689.8070 -294.1141 -290.2493 -290.1089 -290.0005 -289.9309 -289.4276 -289.3424 -289.3122 -43.7046 -31.7944 -29.8787 -28.3239 -28.0110 -25.5824 -24.0217 -23.6077 -22.2040 -21.2641 -21.1156 -20.3356 -19.2657 -18.8611 -18.5578 -17.9984 -17.7046 -17.5974 -16.8562 -16.3537 -15.9973 -13.8170 -13.2828 -7.7718 -4.4699 -3.6128 -1.0681 -0.2995 0.0414 0.2716 0.8677 1.0362 1.4339 1.4986 1.8264 2.4818 3.1467 3.5819 4.1697 4.4551 5.1177 7.2119 7.9546 8.0582 8.7260 9.4776 9.9329 10.1131 10.5508 11.2804 11.4752 11.6818 11.8093 12.0652 12.3199 12.3810 12.8298 13.6658 14.0036 14.0963 15.1099 15.5573 15.6691 18.7870 20.4129 20.8850 21.2355 21.7511 21.7976 22.3094 22.9171 23.3047 23.4825 23.8376 24.5184 24.8151 25.7565 26.0338 26.6821 26.7472 27.2705 27.6268 29.5058 30.3042 30.3360 30.8260 31.4097 33.0107 33.1376 33.1917 34.8449 35.1750 36.2475 36.8731 37.1659 37.8992 40.9662 42.8327 44.2421 44.4268 44.9420 47.5552 49.4191 50.0259 50.8283 51.0508 51.6422 52.8185 53.0564 53.6525 54.6703 55.1780 55.3753 57.2713 57.7617 58.1044 58.6193 59.6784 61.9140 63.8598 64.1552 66.5486 66.8544 67.4892 69.1010 70.3822 70.8811 71.9977 74.7836 75.2669 78.1203 82.9963 89.3998 355.0806 363.9055 366.0242 370.5301 375.7084 379.9087 382.3893 390.5452 889.0313 115.0840032 AuxInfo=1/0/N:1,7,6,8,5,9,2,4,3/E:(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3/rA:17nCC3FC3C3C3C3C3C3HHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s1;s1;s1;s5;s6;s7;s8;s9;/rC:2.6752,.5321,-.026;1.6069,-.4436,.202;2.0451,-1.6336,.4678;.2237,-.2683,.182;-.6354,-1.3648,.4607;-1.9952,-1.1843,.4435;-2.5237,.0737,.1493;-1.6971,1.1628,-.1285;-.3345,1.0017,-.1132;2.3206,1.5203,-.2925;3.3409,.1645,-.812;3.2866,.6071,.8792;-.23,-2.3403,.6895;-2.6555,-2.0125,.6568;-3.5977,.2075,.1361;-2.1283,2.1273,-.3551;.2982,1.8503,-.3299; -408.36277756 414.47612202 -822.83889958 -1363.78523044 540.94633086 -813.79377253 405.43099497 2.00723127 32.000019048575 32.000019048575 64.000038097150 -30.180885623720 -2.797401619627 -32.978287243348 -0.009294160 -0.009293566 -0.009293267 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 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 -689.8000 -294.1151 -290.2529 -290.1107 -290.0019 -289.9306 -289.4283 -289.3439 -289.3121 -43.6867 -31.7935 -29.8807 -28.3229 -28.0129 -25.5796 -24.0192 -23.6031 -22.2016 -21.2543 -21.1092 -20.3345 -19.2648 -18.8609 -18.5562 -18.0085 -17.7033 -17.5949 -16.8563 -16.3543 -15.9980 -13.8180 -13.2814 -7.7743 -4.4713 -3.6147 -1.0706 -0.3048 0.0392 0.2721 0.8609 1.0359 1.4367 1.4939 1.8281 2.4837 3.1420 3.5799 4.1665 4.4541 5.1185 7.2078 7.9614 8.0496 8.7220 9.4774 9.9334 10.1132 10.5460 11.2803 11.4757 11.6779 11.8080 12.0624 12.3207 12.3813 12.8244 13.6654 14.0044 14.0895 15.1068 15.5562 15.6686 18.7908 20.4155 20.8868 21.2337 21.7647 21.7959 22.3005 22.9188 23.2997 23.4831 23.8296 24.5101 24.8158 25.7576 26.0323 26.6874 26.7478 27.2706 27.6255 29.5075 30.3018 30.3325 30.8313 31.4240 32.9941 33.1274 33.1995 34.8332 35.1738 36.2458 36.8707 37.1665 37.8985 40.9633 42.8425 44.2371 44.4182 44.9376 47.5528 49.4248 50.0132 50.8281 51.0548 51.6238 52.8049 53.0474 53.6545 54.6750 55.1705 55.3730 57.2723 57.7672 58.0980 58.6104 59.6719 61.9066 63.8462 64.1651 66.5442 66.8516 67.4807 69.0951 70.3775 70.8719 71.9937 74.7831 75.2657 78.1131 82.9880 89.3910 355.0782 363.8982 366.0246 370.5229 375.7154 379.8983 382.3813 390.5339 889.0252 1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 C C F C C C C C C H H H H H H H H -0.783846 0.614378 -0.197816 -0.061592 -0.196681 -0.197324 -0.171535 -0.193983 -0.221373 0.286294 0.328313 0.328641 0.296969 0.296788 0.304865 0.296469 0.271433 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 C C F C C C C C C H H H H H H H H -0.357397 0.347546 -0.036387 -0.109303 -0.026503 -0.109703 -0.002288 -0.111861 -0.035491 0.169753 0.203039 0.205057 0.176527 0.173369 0.175724 0.172784 0.165136 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 C C F C C C C C C H H H H H H H H 6.7838 5.3856 9.1978 6.0616 6.1967 6.1973 6.1715 6.1940 6.2214 0.7137 0.6717 0.6714 0.7030 0.7032 0.6951 0.7035 0.7286 6.0000 6.0000 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 -0.7838 0.6144 -0.1978 -0.0616 -0.1967 -0.1973 -0.1715 -0.1940 -0.2214 0.2863 0.3283 0.3286 0.2970 0.2968 0.3049 0.2965 0.2714 3.6148 3.5749 1.2663 3.6388 3.7405 3.7490 3.7196 3.7648 3.7462 0.8900 0.8633 0.8622 0.8880 0.8807 0.8755 0.8806 0.8996 3.6148 3.5749 1.2663 3.6388 3.7405 3.7490 3.7196 3.7648 3.7462 0.8900 0.8633 0.8622 0.8880 0.8807 0.8755 0.8806 0.8996 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 1.0353 0.8874 0.8487 0.8454 1.1255 1.2769 1.1962 1.1906 1.4928 0.8930 1.3433 0.8901 1.3476 0.8862 1.5016 0.8903 0.9019 0 1 0 9 0 10 0 11 1 2 1 3 3 4 3 8 4 5 4 12 5 6 5 13 6 7 6 14 7 8 7 15 8 16 -0.009293519 -408.346861725381 -1.68927 1.91405 0.22478 5.36463 -4.70019 0.66444 -1.15299 1.01188 -0.14112 0.71549 1.81863