Orca 5.0.4 RELEASE 1 2 3 4 14s10p6d 10s7p1d 8s4p1d 4s 5s4p3d 4s3p1d 4s2p1d 2s 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Se P C C C C H H H H H H H H H H H 1 2 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 157.97656099999995 AuxInfo=1/0/N:4,6,3,5,2,1/E:(1,2)(3,4)/rA:17nSePCCCCHHHHHHHHHHH/rB:s1;s2;s3;s2;s5;s1;s3;s3;s4;s4;s4;s5;s5;s6;s6;s6;/rC:.3426,2.4194,.8149;.0403,.5997,-.1874;-1.4903,.1646,-1.0162;-2.3185,-.7619,-.0844;1.3895,-.5701,-.0514;2.5767,-.1268,.7967;-.9513,2.9726,.3925;-1.1987,-.3574,-1.9365;-2.0351,1.0713,-1.2889;-1.8098,-1.6925,.1575;-3.2138,-1.0213,-.6526;-2.6354,-.2627,.8279;.9277,-1.5026,.3112;1.6754,-.781,-1.0965;3.0801,.7514,.3937;2.313,.0323,1.8414;3.3076,-.9352,.7778; 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 426 RIJ-ON(X) (HFX calculated with O(N)) on functions 426 RIJ-COSX (HFX calculated with COS-X)) on IntName C4H11PSe_opt_orca HFTyp RHF Charge 2 Mult 1 NEL 82 Dim 132 ENuc 540.9072452569 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 7.475e-03 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 0.001 sec Total time needed 0.004 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 426 RIJ-ON(X) (HFX calculated with O(N)) on functions 426 RIJ-COSX (HFX calculated with COS-X)) on IntName C4H11PSe_opt_orca HFTyp RHF Charge 2 Mult 1 NEL 82 Dim 132 ENuc 541.0058017780 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 7.466e-03 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 0.001 sec Total time needed 0.004 sec 34 15 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 157.97656099999995 AuxInfo=1/0/N:4,6,3,5,2,1/E:(1,2)(3,4)/rA:17nSePCCCCHHHHHHHHHHH/rB:s1;s2;s3;s2;s5;s1;s3;s3;s4;s4;s4;s5;s5;s6;s6;s6;/rC:.3426,2.4194,.8149;.0403,.5997,-.1874;-1.4903,.1646,-1.0162;-2.3185,-.7619,-.0844;1.3895,-.5701,-.0514;2.5767,-.1268,.7967;-.9513,2.9726,.3925;-1.1987,-.3574,-1.9365;-2.0351,1.0713,-1.2889;-1.8098,-1.6925,.1575;-3.2138,-1.0213,-.6526;-2.6354,-.2627,.8279;.9277,-1.5026,.3112;1.6754,-.781,-1.0965;3.0801,.7514,.3937;2.313,.0323,1.8414;3.3076,-.9352,.7778; 2 1 Opt RIJCOSX PBEh-3c output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 8 157.97656099999995 AuxInfo=1/0/N:4,6,3,5,2,1/E:(1,2)(3,4)/rA:17nSePCCCCHHHHHHHHHHH/rB:s1;s2;s3;s2;s5;s1;s3;s3;s4;s4;s4;s5;s5;s6;s6;s6;/rC:.3439,2.4209,.8091;.0426,.6024,-.1955;-1.4906,.165,-1.0182;-2.3146,-.7614,-.082;1.3897,-.5689,-.0548;2.5737,-.1279,.7991;-.9546,2.9698,.395;-1.2018,-.3579,-1.9388;-2.0371,1.0708,-1.2899;-1.8053,-1.6928,.1555;-3.2137,-1.0191,-.6449;-2.6261,-.2635,.833;.9249,-1.5008,.306;1.6791,-.7802,-1.0988;3.0799,.7503,.3995;2.3059,.03,1.8429;3.3038,-.9371,.7827; 157.97656099999995 AuxInfo=1/0/N:4,6,3,5,2,1/E:(1,2)(3,4)/rA:17nSePCCCCHHHHHHHHHHH/rB:s1;s2;s3;s2;s5;s1;s3;s3;s4;s4;s4;s5;s5;s6;s6;s6;/rC:.3433,2.4213,.8072;.0432,.6061,-.2029;-1.4939,.1658,-1.0161;-2.3083,-.7663,-.0762;1.3905,-.5647,-.0621;2.567,-.1306,.806;-.9385,2.9848,.3611;-1.2095,-.3533,-1.9399;-2.0449,1.0709,-1.2815;-1.7978,-1.7014,.1438;-3.2163,-1.0158,-.6286;-2.6074,-.2782,.8483;.9226,-1.4988,.2891;1.686,-.7689,-1.1057;3.0752,.7524,.4197;2.2909,.0156,1.8494;3.298,-.939,.7882; 157.97656099999995 AuxInfo=1/0/N:4,6,3,5,2,1/E:(1,2)(3,4)/rA:17nSePCCCCHHHHHHHHHHH/rB:s1;s2;s3;s2;s5;s1;s3;s3;s4;s4;s4;s5;s5;s6;s6;s6;/rC:.3488,2.4262,.7972;.041,.6015,-.1933;-1.4925,.1644,-1.0152;-2.3143,-.7646,-.0789;1.3916,-.5662,-.0584;2.5711,-.1291,.8041;-.9466,2.9768,.3751;-1.2044,-.3567,-1.9369;-2.0397,1.0705,-1.2847;-1.8077,-1.701,.1443;-3.2201,-1.0117,-.6361;-2.6166,-.2749,.8436;.9275,-1.5012,.2951;1.6834,-.77,-1.1032;3.0756,.7549,.4153;2.2992,.0167,1.8487;3.3038,-.9358,.7831; 157.97656099999995 AuxInfo=1/0/N:4,6,3,5,2,1/E:(1,2)(3,4)/rA:17nSePCCCCHHHHHHHHHHH/rB:s1;s2;s3;s2;s5;s1;s3;s3;s4;s4;s4;s5;s5;s6;s6;s6;/rC:.3418,2.4192,.8127;.0414,.6005,-.1916;-1.4899,.1642,-1.0182;-2.3164,-.7609,-.0835;1.3899,-.5696,-.0524;2.5756,-.1264,.7977;-.955,2.9691,.3946;-1.1998,-.3595,-1.938;-2.0349,1.0706,-1.2915;-1.8102,-1.695,.1497;-3.2175,-1.0128,-.6458;-2.6246,-.2649,.8335;.9265,-1.501,.311;1.677,-.7827,-1.0967;3.0803,.7515,.3957;2.3097,.0327,1.8418;3.3062,-.9352,.7807; -2899.362446073082 -2899.362449783652 -2899.362442000707 -2899.362447984098 -2899.362451302744 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Se P C C C C H H H H H H H H H H H 0.399162 0.900895 -0.366015 -0.348568 -0.369983 -0.370526 0.200631 0.218495 0.205515 0.165205 0.209530 0.167019 0.222353 0.226506 0.166598 0.166466 0.206716 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Se P C C C C H H H H H H H H H H H 33.6727 14.2670 6.6905 6.6785 6.7044 6.6906 0.6948 0.6185 0.6321 0.7128 0.6342 0.7093 0.6184 0.6141 0.7135 0.7132 0.6354 34.0000 15.0000 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 0.3273 0.7330 -0.6905 -0.6785 -0.7044 -0.6906 0.3052 0.3815 0.3679 0.2872 0.3658 0.2907 0.3816 0.3859 0.2865 0.2868 0.3646 2.7386 3.8541 3.5443 3.5373 3.5689 3.5584 0.8909 0.8215 0.8337 0.8832 0.8472 0.8809 0.8202 0.8159 0.8825 0.8825 0.8494 2.7386 3.8541 3.5443 3.5373 3.5689 3.5584 0.8909 0.8215 0.8337 0.8832 0.8472 0.8809 0.8202 0.8159 0.8825 0.8825 0.8494 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 1.7060 0.8643 0.9914 1.0201 0.8726 0.8038 0.8242 0.8894 0.8431 0.8884 0.9223 0.7924 0.7875 0.8884 0.8890 0.8522 0 1 0 6 1 2 1 4 2 3 2 7 2 8 3 9 3 10 3 11 4 5 4 12 4 13 5 14 5 15 5 16 2.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Se P C C C C H H H H H H H H H H H 0.327265 0.732976 -0.690520 -0.678463 -0.704400 -0.690581 0.305246 0.381455 0.367927 0.287191 0.365766 0.290726 0.381595 0.385894 0.286534 0.286800 0.364590 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -12407.5036 -2129.4105 -1610.8131 -1445.9784 -1445.9547 -1445.9341 -295.1569 -295.1019 -293.0810 -292.7665 -233.5608 -199.2921 -176.0942 -175.9851 -175.9588 -147.3904 -147.3142 -147.2676 -74.1675 -74.1234 -74.0915 -74.0044 -73.9907 -35.4114 -33.3145 -33.2036 -29.8810 -28.7844 -27.0254 -24.4430 -24.2053 -23.9203 -22.8695 -22.4158 -21.8666 -21.4942 -20.6968 -20.4405 -20.3636 -20.0622 -19.9391 -13.8291 -10.8083 -9.3775 -8.2010 -7.4045 -5.5316 -5.1917 -4.3015 -3.7322 -3.4778 -3.4466 -2.6998 -2.6788 -2.3829 -2.3056 -1.7436 -1.6278 -1.4257 0.0178 0.8401 1.5436 1.9304 2.2378 2.6499 3.7432 4.2355 4.4031 5.3427 5.5265 6.0119 6.1289 6.5414 6.8754 7.8946 8.1928 8.7442 9.3380 9.6065 10.7319 11.1400 11.7567 12.3100 12.8045 13.6025 14.2245 14.9933 17.4174 17.7396 17.8744 19.3684 19.4965 19.8069 20.2318 20.4737 20.5956 21.2395 21.4535 21.6977 22.7878 24.6719 30.0195 31.8247 33.4687 34.6895 35.8364 36.6887 43.2502 44.2052 44.3543 44.5911 45.9246 46.2079 51.8107 53.1899 53.4976 53.8150 55.2938 56.1265 56.3290 56.5989 61.1456 61.7988 73.8600 76.0025 77.2943 78.0976 82.9352 361.2166 362.7029 368.4306 369.8277 157.97656099999995 AuxInfo=1/0/N:4,6,3,5,2,1/E:(1,2)(3,4)/rA:17nSePCCCCHHHHHHHHHHH/rB:s1;s2;s3;s2;s5;s1;s3;s3;s4;s4;s4;s5;s5;s6;s6;s6;/rC:.3441,2.4218,.8069;.0415,.6017,-.1939;-1.4912,.1647,-1.0172;-2.3141,-.7631,-.0814;1.3903,-.568,-.0551;2.573,-.1275,.8009;-.9504,2.9736,.3838;-1.2028,-.3574,-1.9384;-2.0379,1.0708,-1.288;-1.8079,-1.699,.1442;-3.2191,-1.0109,-.6395;-2.6172,-.2715,.8399;.9257,-1.5004,.3045;1.6797,-.7781,-1.0993;3.0783,.7526,.4045;2.3039,.0264,1.8449;3.3042,-.9358,.7829; -2899.37549963 540.90724526 -3440.28274489 -5070.29379398 1630.01104909 -5795.29450282 2895.91900318 2.00119357 40.999940359378 40.999940359378 81.999880718756 -74.435287695614 -4.291319716263 -78.726607411877 -0.008959070 -0.008962010 -0.008964377 -0.008959610 -0.008961637 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -12407.5020 -2129.4087 -1610.8116 -1445.9769 -1445.9532 -1445.9327 -295.1591 -295.1017 -293.0854 -292.7675 -233.5594 -199.2908 -176.0926 -175.9837 -175.9573 -147.3890 -147.3129 -147.2662 -74.1661 -74.1219 -74.0899 -74.0030 -73.9893 -35.4135 -33.3151 -33.2032 -29.8815 -28.7880 -27.0240 -24.4449 -24.2066 -23.9184 -22.8663 -22.4178 -21.8705 -21.4952 -20.6995 -20.4445 -20.3641 -20.0611 -19.9395 -13.8271 -10.8059 -9.3719 -8.2043 -7.4043 -5.5318 -5.1959 -4.2954 -3.7422 -3.4720 -3.4447 -2.7145 -2.6888 -2.3797 -2.3039 -1.7467 -1.6227 -1.4233 0.0217 0.8433 1.5446 1.9254 2.2381 2.6541 3.7376 4.2388 4.4061 5.3376 5.5394 6.0119 6.1232 6.5380 6.8821 7.8932 8.1918 8.7425 9.3326 9.6136 10.7341 11.1452 11.7553 12.2931 12.8044 13.6187 14.2300 14.9891 17.4205 17.7398 17.8823 19.3723 19.5056 19.7988 20.2309 20.4703 20.5950 21.2397 21.4563 21.7000 22.7997 24.6596 30.0125 31.8221 33.4618 34.6824 35.8428 36.7038 43.2362 44.1919 44.3443 44.5804 45.9247 46.2160 51.8039 53.1811 53.4993 53.8037 55.2983 56.1290 56.3298 56.6049 61.1394 61.7933 73.8619 76.0070 77.2955 78.1058 82.9352 361.2210 362.7001 368.4180 369.8264 2.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Se P C C C C H H H H H H H H H H H 0.327266 0.733074 -0.690489 -0.679113 -0.704411 -0.690684 0.305110 0.381746 0.367742 0.287841 0.366005 0.290496 0.381214 0.386149 0.286414 0.286995 0.364645 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Se P C C C C H H H H H H H H H H H 0.399096 0.900810 -0.365974 -0.348787 -0.369964 -0.370547 0.200583 0.218586 0.205443 0.165541 0.209676 0.166883 0.222219 0.226556 0.166545 0.166595 0.206740 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Se P C C C C H H H H H H H H H H H 33.6727 14.2669 6.6905 6.6791 6.7044 6.6907 0.6949 0.6183 0.6323 0.7122 0.6340 0.7095 0.6188 0.6139 0.7136 0.7130 0.6354 34.0000 15.0000 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 0.3273 0.7331 -0.6905 -0.6791 -0.7044 -0.6907 0.3051 0.3817 0.3677 0.2878 0.3660 0.2905 0.3812 0.3861 0.2864 0.2870 0.3646 2.7386 3.8544 3.5443 3.5369 3.5690 3.5584 0.8910 0.8214 0.8338 0.8830 0.8470 0.8810 0.8203 0.8158 0.8826 0.8824 0.8494 2.7386 3.8544 3.5443 3.5369 3.5690 3.5584 0.8910 0.8214 0.8338 0.8830 0.8470 0.8810 0.8203 0.8158 0.8826 0.8824 0.8494 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 1.7060 0.8643 0.9915 1.0200 0.8723 0.8038 0.8243 0.8892 0.8428 0.8884 0.9222 0.7926 0.7874 0.8885 0.8889 0.8522 0 1 0 6 1 2 1 4 2 3 2 7 2 8 3 9 3 10 3 11 4 5 4 12 4 13 5 14 5 15 5 16 -0.008961717 -2899.362454704046 -3.93490 3.16858 -0.76631 -26.09348 24.50747 -1.58601 -8.10144 6.95520 -1.14624 2.10156 5.34174