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 N C F N C C C C C C H H H H H H H H H H H H H H H H 1 2 3 1 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 131.0867032 AuxInfo=1/0/N:10,6,8,9,5,7,2,3,1,4/E:(2,3)(5,6)/CRV:7.3/rA:26nNC3FNCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s4;s7;s1;s9;s1;s5;s5;s6;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s10;/rC:1.3127,-.1185,.6694;.3009,-.5455,-.0452;.5276,-1.6117,-.7588;-.8955,-.034,-.1065;-1.9287,-.5689,-1.0167;-2.8112,-1.6027,-.3422;-1.268,1.1125,.7317;-.9152,2.4475,.0965;2.6329,-.7692,.7434;3.581,-.2947,-.3417;1.2151,.767,1.1411;-2.5142,.2906,-1.3419;-1.4569,-.9745,-1.9086;-3.5797,-1.9314,-1.0401;-2.2445,-2.4813,-.0376;-3.319,-1.1999,.534;-2.343,1.0418,.8901;-.8197,.9981,1.7207;-1.2594,3.2591,.7354;-1.3977,2.5663,-.8729;.1576,2.577,-.0501;2.4963,-1.8478,.7105;3.022,-.5366,1.7329;3.2245,-.5626,-1.3353;4.5536,-.7641,-.2028;3.728,.7842,-.3055; 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 666 RIJ-ON(X) (HFX calculated with O(N)) on functions 666 RIJ-COSX (HFX calculated with COS-X)) on IntName C7FH16N2_opt_orca HFTyp RHF Charge 1 Mult 1 NEL 80 Dim 182 ENuc 596.4084241578 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 4.766e-03 Time for diagonalization 0.005 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.003 sec Total time needed 0.009 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 666 RIJ-ON(X) (HFX calculated with O(N)) on functions 666 RIJ-COSX (HFX calculated with COS-X)) on IntName C7FH16N2_opt_orca HFTyp RHF Charge 1 Mult 1 NEL 80 Dim 182 ENuc 596.8396368210 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 4.768e-03 Time for diagonalization 0.004 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.003 sec Total time needed 0.008 sec 7 6 9 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0867032 AuxInfo=1/0/N:10,6,8,9,5,7,2,3,1,4/E:(2,3)(5,6)/CRV:7.3/rA:26nNC3FNCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s4;s7;s1;s9;s1;s5;s5;s6;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s10;/rC:1.3127,-.1185,.6694;.3009,-.5455,-.0452;.5276,-1.6117,-.7588;-.8955,-.034,-.1065;-1.9287,-.5689,-1.0166;-2.8112,-1.6027,-.3422;-1.268,1.1125,.7317;-.9152,2.4475,.0965;2.6329,-.7692,.7434;3.581,-.2947,-.3417;1.2151,.767,1.1411;-2.5142,.2906,-1.3419;-1.4569,-.9745,-1.9086;-3.5797,-1.9314,-1.0401;-2.2445,-2.4813,-.0376;-3.319,-1.1999,.534;-2.343,1.0418,.8901;-.8197,.9981,1.7207;-1.2594,3.2591,.7354;-1.3977,2.5663,-.8729;.1576,2.577,-.0501;2.4963,-1.8478,.7105;3.022,-.5366,1.7329;3.2245,-.5626,-1.3353;4.5536,-.7641,-.2028;3.728,.7842,-.3055; 1 1 Opt RIJCOSX PBEh-3c output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 16 131.0867032 AuxInfo=1/0/N:10,6,8,9,5,7,2,3,1,4/E:(2,3)(5,6)/CRV:7.3/rA:26nNC3FNCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s4;s7;s1;s9;s1;s5;s5;s6;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s10;/rC:1.3114,-.1221,.6733;.3008,-.5476,-.0437;.5283,-1.6133,-.7583;-.8954,-.0352,-.1067;-1.9283,-.5707,-1.0166;-2.8122,-1.6019,-.3411;-1.2684,1.1124,.7298;-.9101,2.446,.0958;2.6333,-.7689,.7431;3.5773,-.2902,-.3432;1.2117,.7609,1.1495;-2.5121,.2893,-1.3443;-1.4558,-.9775,-1.9077;-3.5811,-1.9299,-1.0389;-2.2474,-2.4813,-.0353;-3.3197,-1.1975,.5344;-2.3441,1.0437,.8845;-.8251,.9967,1.721;-1.2534,3.2582,.7343;-1.3899,2.5667,-.8747;.1633,2.5726,-.0481;2.4994,-1.848,.7097;3.0238,-.5363,1.7322;3.2195,-.5564,-1.3368;4.551,-.7581,-.2075;3.7229,.7887,-.305; 131.0867032 AuxInfo=1/0/N:10,6,8,9,5,7,2,3,1,4/E:(2,3)(5,6)/CRV:7.3/rA:26nNC3FNCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s4;s7;s1;s9;s1;s5;s5;s6;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s10;/rC:1.3043,-.1377,.6903;.2994,-.5564,-.0385;.5312,-1.6184,-.7578;-.895,-.04,-.1091;-1.9275,-.5788,-1.0173;-2.8178,-1.5995,-.3366;-1.2683,1.112,.7212;-.8872,2.4405,.0931;2.635,-.7675,.7425;3.562,-.2702,-.3486;1.1941,.7326,1.1871;-2.5049,.2817,-1.3555;-1.4535,-.9928,-1.9044;-3.5886,-1.9256,-1.0333;-2.2606,-2.4816,-.0252;-3.3238,-1.1872,.5362;-2.3467,1.0527,.8615;-.8448,.9911,1.7209;-1.2257,3.2556,.7305;-1.3562,2.5701,-.8815;.1889,2.5546,-.0409;2.514,-1.8483,.7061;3.0311,-.5356,1.7296;3.1991,-.5296,-1.3421;4.5412,-.7308,-.2267;3.7004,.8093,-.3017; 131.0867032 AuxInfo=1/0/N:10,6,8,9,5,7,2,3,1,4/E:(2,3)(5,6)/CRV:7.3/rA:26nNC3FNCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s4;s7;s1;s9;s1;s5;s5;s6;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s10;/rC:1.3016,-.1424,.6963;.2989,-.5585,-.0371;.5328,-1.6184,-.7584;-.8949,-.0412,-.1103;-1.9274,-.5814,-1.0181;-2.8195,-1.5992,-.3354;-1.2681,1.1119,.7186;-.8794,2.4394,.0927;2.6351,-.7672,.7428;3.5567,-.2643,-.3505;1.1879,.7235,1.1998;-2.5033,.2789,-1.3593;-1.4531,-.9985,-1.9035;-3.5904,-1.9261,-1.0316;-2.2635,-2.4813,-.0216;-3.3254,-1.1842,.5362;-2.3473,1.0564,.8538;-.8501,.9892,1.7205;-1.2167,3.2555,.7297;-1.3448,2.5715,-.8832;.1976,2.5492,-.0376;2.5185,-1.8484,.7053;3.0336,-.5351,1.7288;3.1914,-.5226,-1.3435;4.5379,-.722,-.2332;3.6918,.8156,-.3015; -484.482224238569 -484.482237166514 -484.482259564396 -484.482261334781 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 N C F N C C C C C C H H H H H H H H H H H H H H H H -0.168730 0.296190 -0.060947 -0.058337 -0.137152 -0.364709 -0.147246 -0.367228 -0.143572 -0.367981 0.290033 0.148571 0.153305 0.159672 0.142688 0.139759 0.158928 0.138765 0.161216 0.148858 0.130922 0.153441 0.151907 0.141499 0.159493 0.140656 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 N C F N C C C C C C H H H H H H H H H H H H H H H H 7.6508 5.0267 9.2364 7.4495 6.3509 6.6403 6.3816 6.6398 6.3321 6.6445 0.5801 0.7262 0.7166 0.7280 0.7557 0.7612 0.7024 0.7425 0.7236 0.7431 0.7781 0.7199 0.7220 0.7582 0.7286 0.7615 7.0000 6.0000 9.0000 7.0000 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 -0.6508 0.9733 -0.2364 -0.4495 -0.3509 -0.6403 -0.3816 -0.6398 -0.3321 -0.6445 0.4199 0.2738 0.2834 0.2720 0.2443 0.2388 0.2976 0.2575 0.2764 0.2569 0.2219 0.2801 0.2780 0.2418 0.2714 0.2385 3.0906 3.6998 1.1946 3.1963 3.6347 3.6745 3.6354 3.6668 3.6325 3.6780 0.8039 0.8847 0.8865 0.8939 0.9052 0.9065 0.8793 0.8941 0.8912 0.9005 0.9139 0.8865 0.8838 0.9065 0.8947 0.9056 3.0906 3.6998 1.1946 3.1963 3.6347 3.6745 3.6354 3.6668 3.6325 3.6780 0.8039 0.8847 0.8865 0.8939 0.9052 0.9065 0.8793 0.8941 0.8912 0.9005 0.9139 0.8865 0.8838 0.9065 0.8947 0.9056 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.2964 0.8656 0.7811 1.0499 1.3544 0.8651 0.8802 0.9775 0.8929 0.8927 0.9012 0.9152 0.9149 0.9685 0.8861 0.8968 0.8993 0.9097 0.9210 0.9788 0.8959 0.8962 0.9162 0.9020 0.9172 0 1 0 8 0 10 1 2 1 3 3 4 3 6 4 5 4 11 4 12 5 13 5 14 5 15 6 7 6 16 6 17 7 18 7 19 7 20 8 9 8 21 8 22 9 23 9 24 9 25 1.0000000 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 N C F N C C C C C C H H H H H H H H H H H H H H H H -0.650754 0.973278 -0.236389 -0.449536 -0.350864 -0.640284 -0.381561 -0.639833 -0.332052 -0.644497 0.419926 0.273760 0.283437 0.272012 0.244256 0.238830 0.297640 0.257535 0.276426 0.256851 0.221924 0.280084 0.278047 0.241845 0.271435 0.238486 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -689.3393 -404.8651 -404.6982 -294.4553 -289.8761 -289.5823 -289.5815 -288.0079 -287.6249 -287.5693 -43.3641 -35.2293 -33.4483 -28.2210 -28.0655 -27.0344 -25.1096 -24.2512 -24.0416 -23.5083 -22.3299 -21.2272 -20.9894 -19.7414 -19.1084 -19.0011 -18.3129 -18.0608 -17.7760 -17.5396 -17.2248 -16.4230 -16.0456 -15.6809 -15.5824 -15.4211 -15.1556 -15.0482 -15.0305 -13.0222 -3.7278 -1.7288 -0.8748 -0.1732 0.3570 0.5460 0.7158 0.7815 1.2311 1.4520 1.4854 1.6244 1.7425 1.9536 2.1476 2.2559 2.4278 2.6061 2.6842 2.9940 3.3884 3.3967 3.7241 3.9515 5.6954 7.5935 7.9204 8.3978 8.7846 9.2409 9.8184 10.4154 10.5428 10.6735 10.8782 11.2661 11.5241 11.7062 12.3787 12.5126 12.6021 13.6623 14.2858 14.3957 15.7065 16.8649 17.2489 17.4527 19.4487 20.8671 21.7077 21.9801 22.3347 22.9333 23.0732 23.1261 23.5016 23.5255 23.7272 23.8949 24.4102 24.6166 24.9929 25.1268 25.3102 25.5777 25.8459 26.1587 26.3331 26.7694 27.4040 27.8454 28.6186 28.8577 29.5327 30.1715 30.8743 31.6690 32.2100 33.8797 34.9171 36.1906 36.4228 37.8322 39.4236 40.0669 40.3464 42.2110 42.6335 43.8504 44.5429 45.1041 45.5654 46.3281 47.0094 48.5518 49.5874 49.6629 50.1539 50.5381 51.0812 51.3494 51.8533 52.1618 52.6909 54.8141 55.3508 55.7444 56.8733 57.9671 59.6116 59.7022 60.1955 60.5756 60.8947 61.5309 61.7484 61.9427 62.8682 63.1852 63.3347 66.3402 66.7194 67.9086 69.2717 69.8045 70.4288 70.5679 72.4073 77.3036 81.7013 83.2067 366.3972 367.6982 368.0868 374.4729 375.9660 377.7297 378.8685 520.3604 523.7913 889.0609 131.0867032 AuxInfo=1/0/N:10,6,8,9,5,7,2,3,1,4/E:(2,3)(5,6)/CRV:7.3/rA:26nNC3FNCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s4;s7;s1;s9;s1;s5;s5;s6;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s10;/rC:1.2985,-.1469,.7029;.2985,-.5599,-.0359;.5352,-1.6172,-.7597;-.8949,-.0422,-.1121;-1.9271,-.5838,-1.0194;-2.8207,-1.5991,-.3343;-1.268,1.1116,.7161;-.8709,2.4386,.0932;2.6348,-.7668,.7436;3.5507,-.2588,-.3529;1.1811,.7143,1.2136;-2.5021,.2759,-1.3632;-1.4526,-1.005,-1.9027;-3.5912,-1.9283,-1.03;-2.2648,-2.4801,-.0172;-3.3272,-1.181,.5355;-2.3481,1.0608,.8449;-.8554,.987,1.7199;-1.2077,3.2556,.7292;-1.3316,2.573,-.8846;.2071,2.5436,-.0322;2.5228,-1.8483,.7053;3.0363,-.5337,1.7279;3.1821,-.5174,-1.3447;4.534,-.7129,-.2405;3.681,.8216,-.3028; -484.51800300 596.40842416 -1080.92642716 -1827.52977472 746.60334756 -965.41198396 480.89398095 2.00753601 40.000140443163 40.000140443163 80.000280886326 -36.285729971265 -3.483865153246 -39.769595124511 -0.013419905 -0.013422502 -0.013430298 -0.013432758 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 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