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 B F F F O H H H O H O H H H O H O H H O H H O H H O H H O H H 1 2 2 2 3 4 4 4 3 4 3 4 4 4 3 4 3 4 4 3 4 4 3 4 4 3 4 4 3 4 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;26;9;15;11;17;20;23;29/E:(2,3,4);;;;;;;;/CRV:1.4;1.3;;;;;;;/rA:31nB4FFFOHHHOHOHHHOHOHHOHHOHHO3HHOHH/rB:s1;s1;s1;s1;s5;;;s7;;;s11;s9;s11;s8;s15;;s17;s17;;s20;s20;;s23;s23;s10;s26;s26;;s29;s29;/rC:-.0648,-1.0516,1.4342;-1.0221,-.5724,.526;-.6846,-1.6828,2.4925;.7714,-1.9949,.7656;.7415,.098,1.8617;1.3779,-.1582,2.5349;-1.2201,3.054,1.485;-.2635,-2.2377,-2.3687;-1.3368,3.618,.6743;-.6344,3.0295,-.5331;-.5843,-3.3762,-1.2018;-1.4955,-3.3723,-.8995;-1.0555,4.5032,.9131;-.0744,-3.0609,-.4378;.0039,-1.4952,-2.9698;.0114,-1.8478,-3.862;1.8142,1.4505,-.3121;2.1228,.7054,-.8875;1.5124,1.0183,.5126;2.4108,-.7505,-1.7009;2.3901,-1.4,-.9927;1.6388,-.9688,-2.2523;-1.571,.5823,-2.037;-1.0448,-.0818,-2.5235;-1.7221,.1708,-1.1772;-.137,2.5591,-1.2924;.7409,2.093,-.8818;-.7335,1.8197,-1.6635;-.9155,2.0837,2.7685;-.2908,1.3809,2.4957;-1.6921,1.6154,3.082; 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 835 RIJ-ON(X) (HFX calculated with O(N)) on functions 835 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 122 Dim 231 ENuc 1090.8564145998 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) 3.330e-04 Converg. threshold II (energy diff.) 1.000e-06 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 off 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 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-10 Eh TCut 1.000e-11 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-06 Eh 1-El. energy change 1.000e-03 Eh TolErr 1.000e-06 Smallest eigenvalue 2.057e-02 Time for diagonalization 0.014 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.009 sec Total time needed 0.023 sec 0 1 pbeh-3c DEFGRID2 scfconv6 smallprint printgap noloewdin NOSOSCF ENGRAD MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;26;9;15;11;17;20;23;29/E:(2,3,4);;;;;;;;/CRV:1.4;1.3;;;;;;;/rA:31nB4FFFOHHHOHOHHHOHOHHOHHOHHO3HHOHH/rB:s1;s1;s1;s1;s5;;;s7;;;s11;s9;s11;s8;s15;;s17;s17;;s20;s20;;s23;s23;s10;s26;s26;;s29;s29;/rC:-.0648,-1.0516,1.4342;-1.0221,-.5724,.526;-.6846,-1.6828,2.4925;.7714,-1.9949,.7656;.7415,.098,1.8617;1.3779,-.1582,2.5349;-1.2201,3.054,1.485;-.2635,-2.2377,-2.3687;-1.3368,3.618,.6743;-.6344,3.0295,-.5331;-.5843,-3.3762,-1.2018;-1.4955,-3.3723,-.8995;-1.0555,4.5032,.9131;-.0744,-3.0609,-.4378;.0039,-1.4952,-2.9698;.0114,-1.8478,-3.862;1.8142,1.4505,-.3121;2.1228,.7054,-.8875;1.5124,1.0183,.5126;2.4108,-.7505,-1.7009;2.3901,-1.4,-.9927;1.6388,-.9688,-2.2523;-1.571,.5823,-2.037;-1.0448,-.0818,-2.5235;-1.7221,.1708,-1.1772;-.137,2.5591,-1.2924;.7409,2.093,-.8818;-.7335,1.8197,-1.6635;-.9155,2.0837,2.7685;-.2908,1.3809,2.4957;-1.6921,1.6154,3.082; -1010.56090129 1090.85641460 -2101.41731589 -3574.50757415 1473.09025827 -2015.00707845 1004.44617716 2.00608766 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-11.7841 -11.2958 -11.0907 -10.8764 -10.7177 -10.6564 -10.4792 -10.4507 -10.3663 -10.2334 -10.1481 2.2172 2.9906 3.6039 3.7490 4.0574 4.3834 4.5484 5.8284 6.5851 6.8655 7.2001 7.6301 7.7790 7.8893 8.6088 8.7436 8.9978 9.2722 9.8409 10.0830 10.4033 10.9359 12.5817 13.0048 13.5693 15.2102 20.3056 21.1774 22.1419 22.1873 22.6148 22.9438 23.3253 23.3980 23.6911 23.8331 24.3593 24.9017 25.1520 25.5222 25.7679 25.9933 26.2485 26.6492 26.7270 27.2795 27.5074 27.6203 28.2027 28.2905 28.5844 28.9176 29.1872 29.3512 30.1769 30.5987 31.1063 31.2730 31.3806 31.5478 31.8694 32.1463 32.2476 32.2909 32.5750 32.8564 33.0613 33.1411 33.4370 33.5690 34.0240 34.4555 35.1517 35.2947 35.3789 36.0689 36.3591 36.8622 37.4460 37.6415 37.6792 38.0824 38.6742 39.4221 39.9826 41.0827 41.5435 42.1005 45.7675 46.1632 46.4784 46.7385 46.8657 47.1814 47.3286 47.5219 47.6754 47.7558 47.7922 47.8486 47.9948 48.0227 48.0913 48.1490 48.2071 48.2787 48.3455 48.4164 48.6336 48.7677 49.0963 49.1489 49.2514 49.3901 49.6346 49.8381 50.0205 50.1845 51.2783 51.5805 51.9406 52.5569 52.7756 53.2123 53.3766 53.5776 53.7041 54.5144 56.3066 56.5308 62.4773 65.9645 66.8192 67.1840 67.4315 67.6978 67.8326 68.4924 68.9459 69.0905 70.4695 71.3351 72.8410 73.3137 73.4530 73.6894 73.9252 74.4828 75.2426 75.6944 76.1009 78.2678 80.2542 83.7345 87.7257 88.8181 89.4243 270.7485 687.7484 689.1414 690.5071 692.5592 693.7413 694.5857 695.3066 696.1047 698.3484 890.1479 891.3930 899.3293 -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 B F F F O H H H O H O H H H O H O H H O H H O H H O H H O H H 0.703253 -0.406876 -0.365999 -0.423585 -0.760652 0.446722 0.472059 0.467568 -0.879172 0.493157 -0.858356 0.438290 0.433956 0.477477 -0.881643 0.438413 -0.913239 0.470531 0.470448 -0.861607 0.432848 0.451736 -0.881132 0.461527 0.451469 -0.903116 0.495431 0.490582 -0.874250 0.478782 0.435377 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 B F F F O H H H O H O H H H O H O H H O H H O H H O H H O H H 4.2967 9.4069 9.3660 9.4236 8.7607 0.5533 0.5279 0.5324 8.8792 0.5068 8.8584 0.5617 0.5660 0.5225 8.8816 0.5616 8.9132 0.5295 0.5296 8.8616 0.5672 0.5483 8.8811 0.5385 0.5485 8.9031 0.5046 0.5094 8.8743 0.5212 0.5646 5.0000 9.0000 9.0000 9.0000 8.0000 1.0000 1.0000 1.0000 8.0000 1.0000 8.0000 1.0000 1.0000 1.0000 8.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 0.7033 -0.4069 -0.3660 -0.4236 -0.7607 0.4467 0.4721 0.4676 -0.8792 0.4932 -0.8584 0.4383 0.4340 0.4775 -0.8816 0.4384 -0.9132 0.4705 0.4704 -0.8616 0.4328 0.4517 -0.8811 0.4615 0.4515 -0.9031 0.4954 0.4906 -0.8743 0.4788 0.4354 3.6542 0.9960 1.0489 0.9852 1.8843 0.7794 0.8032 0.8061 1.6688 0.7842 1.6953 0.7899 0.7931 0.7880 1.6883 0.7902 1.6613 0.8056 0.7995 1.6854 0.8047 0.8144 1.6871 0.8071 0.8034 1.6721 0.7736 0.7883 1.6747 0.7917 0.7920 3.6542 0.9960 1.0489 0.9852 1.8843 0.7794 0.8032 0.8061 1.6688 0.7842 1.6953 0.7899 0.7931 0.7880 1.6883 0.7902 1.6613 0.8056 0.7995 1.6854 0.8047 0.8144 1.6871 0.8071 0.8034 1.6721 0.7736 0.7883 1.6747 0.7917 0.7920 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.8892 1.0181 0.8173 0.8111 0.1005 0.7705 0.1260 0.1319 0.6205 0.1806 0.1770 0.6243 0.2224 0.7916 0.5594 0.7897 0.6824 0.7874 0.1154 0.1223 0.6372 0.6669 0.2876 0.1681 0.7786 0.6982 0.6842 0.7349 0.2226 0.4820 0.5639 0.6531 0.7917 0 1 0 2 0 3 0 4 3 13 4 5 4 18 4 29 6 8 6 28 7 10 7 14 8 9 8 12 9 25 10 11 10 13 14 15 14 21 14 23 16 17 16 18 16 26 17 19 19 20 19 21 22 23 22 24 22 27 25 26 25 27 28 29 28 30 -0.013161404 -1010.464609802337 1.22527 -1.57220 -0.34692 11.23539 -11.20198 0.03341 -12.38249 12.00087 -0.38161 0.51682 1.31365 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 B F F F O H H H O H O H H H O H O H H O H H O H H O H H O H H 1 2 2 2 3 4 4 4 3 4 3 4 4 4 3 4 3 4 4 3 4 4 3 4 4 3 4 4 3 4 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;26;9;15;11;17;20;23;29/E:(2,3,4);;;;;;;;/CRV:1.4;1.3;;;;;;;/rA:31nB4FFFOHHHOHOHHHOHOHHOHHOHHO3HHOHH/rB:s1;s1;s1;s1;s5;;;s7;;;s11;s9;s11;s8;s15;;s17;s17;;s20;s20;;s23;s23;s10;s26;s26;;s29;s29;/rC:-.0646,-1.0516,1.4343;-1.0219,-.5727,.5259;-.6844,-1.6829,2.4926;.7719,-1.9947,.7659;.7414,.0983,1.8618;1.3775,-.1576,2.5353;-1.2209,3.0539,1.4846;-.2621,-2.2385,-2.369;-1.3364,3.6186,.6743;-.634,3.0295,-.5329;-.5837,-3.3761,-1.2017;-1.495,-3.3739,-.8996;-1.0531,4.503,.9137;-.0745,-3.0604,-.4374;.0032,-1.4949,-2.9699;.011,-1.8469,-3.8622;1.8143,1.4504,-.3122;2.1225,.7052,-.8876;1.5126,1.0183,.5127;2.4109,-.7507,-1.7011;2.3896,-1.4004,-.9931;1.6384,-.9679,-2.2525;-1.5713,.5823,-2.0366;-1.045,-.0816,-2.5231;-1.7225,.1707,-1.177;-.1369,2.5591,-1.2924;.7408,2.0922,-.8824;-.7339,1.82,-1.6635;-.916,2.0838,2.7682;-.2913,1.3806,2.4962;-1.6932,1.6158,3.0809; 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 835 RIJ-ON(X) (HFX calculated with O(N)) on functions 835 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 122 Dim 231 ENuc 1090.8508011370 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) 3.330e-04 Converg. threshold II (energy diff.) 1.000e-06 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 off 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 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-10 Eh TCut 1.000e-11 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-06 Eh 1-El. energy change 1.000e-03 Eh TolErr 1.000e-06 Smallest eigenvalue 2.057e-02 Time for diagonalization 0.014 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.011 sec Total time needed 0.026 sec 0 1 pbeh-3c DEFGRID2 scfconv6 smallprint printgap noloewdin NOSOSCF ENGRAD MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;26;9;15;11;17;20;23;29/E:(2,3,4);;;;;;;;/CRV:1.4;1.3;;;;;;;/rA:31nB4FFFOHHHOHOHHHOHOHHOHHOHHO3HHOHH/rB:s1;s1;s1;s1;s5;;;s7;;;s11;s9;s11;s8;s15;;s17;s17;;s20;s20;;s23;s23;s10;s26;s26;;s29;s29;/rC:-.0646,-1.0516,1.4343;-1.0219,-.5727,.5259;-.6844,-1.6829,2.4926;.7719,-1.9947,.7659;.7414,.0983,1.8618;1.3775,-.1576,2.5353;-1.2209,3.0539,1.4846;-.2621,-2.2385,-2.369;-1.3364,3.6186,.6743;-.634,3.0295,-.5329;-.5837,-3.3761,-1.2017;-1.495,-3.3739,-.8996;-1.0531,4.503,.9137;-.0745,-3.0604,-.4374;.0032,-1.4949,-2.9699;.011,-1.8469,-3.8622;1.8143,1.4504,-.3122;2.1225,.7052,-.8876;1.5126,1.0183,.5127;2.4109,-.7507,-1.7011;2.3896,-1.4004,-.9931;1.6384,-.9679,-2.2525;-1.5713,.5823,-2.0366;-1.045,-.0816,-2.5231;-1.7225,.1707,-1.177;-.1369,2.5591,-1.2924;.7408,2.0922,-.8824;-.7339,1.82,-1.6635;-.916,2.0838,2.7682;-.2913,1.3806,2.4962;-1.6932,1.6158,3.0809; -1010.56090161 1090.85080114 -2101.41170275 -3574.49601566 1473.08431291 -2015.00725518 1004.44635356 2.00608748 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14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 B F F F O H H H O H O H H H O H O H H O H H O H H O H H O H H 1 2 2 2 3 4 4 4 3 4 3 4 4 4 3 4 3 4 4 3 4 4 3 4 4 3 4 4 3 4 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;26;9;15;11;17;20;23;29/E:(2,3,4);;;;;;;;/CRV:1.4;1.3;;;;;;;/rA:31nB4FFFOHHHOHOHHHOHOHHOHHOHHO3HHOHH/rB:s1;s1;s1;s1;s5;;;s7;;;s11;s9;s11;s8;s15;;s17;s17;;s20;s20;;s23;s23;s10;s26;s26;;s29;s29;/rC:-.0646,-1.0516,1.4343;-1.0219,-.5727,.5259;-.6844,-1.6829,2.4926;.7719,-1.9947,.7659;.7414,.0983,1.8618;1.3775,-.1576,2.5353;-1.2209,3.0539,1.4846;-.2621,-2.2385,-2.369;-1.3364,3.6186,.6743;-.634,3.0295,-.5329;-.5837,-3.3761,-1.2017;-1.495,-3.3739,-.8996;-1.0531,4.503,.9137;-.0745,-3.0604,-.4374;.0032,-1.4949,-2.9699;.011,-1.8469,-3.8622;1.8143,1.4504,-.3122;2.1225,.7052,-.8876;1.5126,1.0183,.5127;2.4109,-.7507,-1.7011;2.3896,-1.4004,-.9931;1.6384,-.9679,-2.2525;-1.5713,.5823,-2.0366;-1.045,-.0816,-2.5231;-1.7225,.1707,-1.177;-.1369,2.5591,-1.2924;.7408,2.0922,-.8824;-.7339,1.82,-1.6635;-.916,2.0838,2.7682;-.2913,1.3806,2.4962;-1.6932,1.6158,3.0809; 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 835 RIJ-ON(X) (HFX calculated with O(N)) on functions 835 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 122 Dim 231 ENuc 1090.8508011370 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) 3.330e-04 Converg. threshold II (energy diff.) 1.000e-06 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 off 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 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-10 Eh TCut 1.000e-11 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-06 Eh 1-El. energy change 1.000e-03 Eh TolErr 1.000e-06 Smallest eigenvalue 2.057e-02 Time for diagonalization 0.014 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.013 sec Total time needed 0.028 sec 0 1 pbeh-3c DEFGRID2 scfconv6 smallprint printgap noloewdin NOSOSCF ENGRAD MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 211.8008096 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H O H H H O H O H H O H H O H H O H H O H H 4.2967 9.4069 9.3660 9.4236 8.7607 0.5533 0.5280 0.5324 8.8791 0.5069 8.8584 0.5617 0.5660 0.5225 8.8817 0.5616 8.9132 0.5295 0.5295 8.8616 0.5671 0.5483 8.8812 0.5384 0.5485 8.9031 0.5046 0.5094 8.8742 0.5212 0.5647 5.0000 9.0000 9.0000 9.0000 8.0000 1.0000 1.0000 1.0000 8.0000 1.0000 8.0000 1.0000 1.0000 1.0000 8.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 0.7033 -0.4069 -0.3660 -0.4236 -0.7607 0.4467 0.4720 0.4676 -0.8791 0.4931 -0.8584 0.4383 0.4340 0.4775 -0.8817 0.4384 -0.9132 0.4705 0.4705 -0.8616 0.4329 0.4517 -0.8812 0.4616 0.4515 -0.9031 0.4954 0.4906 -0.8742 0.4788 0.4353 3.6543 0.9960 1.0489 0.9852 1.8843 0.7795 0.8033 0.8060 1.6689 0.7842 1.6951 0.7899 0.7931 0.7879 1.6883 0.7902 1.6614 0.8056 0.7995 1.6855 0.8047 0.8145 1.6871 0.8070 0.8033 1.6720 0.7736 0.7883 1.6748 0.7917 0.7920 3.6543 0.9960 1.0489 0.9852 1.8843 0.7795 0.8033 0.8060 1.6689 0.7842 1.6951 0.7899 0.7931 0.7879 1.6883 0.7902 1.6614 0.8056 0.7995 1.6855 0.8047 0.8145 1.6871 0.8070 0.8033 1.6720 0.7736 0.7883 1.6748 0.7917 0.7920 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.8892 1.0181 0.8173 0.8111 0.1005 0.7705 0.1260 0.1319 0.6206 0.1807 0.1769 0.6243 0.2225 0.7916 0.5594 0.7897 0.6824 0.7874 0.1154 0.1223 0.6372 0.6669 0.2876 0.1681 0.7785 0.6983 0.6842 0.7350 0.2226 0.4820 0.5638 0.6531 0.7918 0 1 0 2 0 3 0 4 3 13 4 5 4 18 4 29 6 8 6 28 7 10 7 14 8 9 8 12 9 25 10 11 10 13 14 15 14 21 14 23 16 17 16 18 16 26 17 19 19 20 19 21 22 23 22 24 22 27 25 26 25 27 28 29 28 30 -0.013161198 -1010.464610034041 1.22302 -1.56998 -0.34696 11.23383 -11.20278 0.03105 -12.38394 12.00192 -0.38202 0.51700 1.31410