Orca 5.0.3 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 H H O H O H H H O H O H O H O H H O H H O H H 1 2 2 2 3 4 4 4 4 4 3 4 3 4 4 4 3 4 3 4 3 4 3 4 4 3 4 4 3 4 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;19;17;21;11;13;23;26;29/E:(2,3,4);;;;;;;;/CRV:1.4,5.3;;;;;;;;/rA:31nB4FFFO3HHHHHOHOHHHOHOHOHOHHOHHOHH/rB:s1;s1;s1;s1;s5;s5;;;;;s11;;s13;s11;s13;s9;s17;s8;s19;s10;s21;;s23;s23;;s26;s26;;s29;s29;/rC:-.1766,-1.8868,-.0449;.5873,-3.0128,.0814;-1.5336,-2.1291,-.0059;.1426,-.975,1.0276;.1611,-1.2255,-1.3417;-.2956,-.3156,-1.543;1.1536,-1.2667,-1.6322;-1.1149,-.1948,1.8833;3.3659,.8665,-.1033;-.631,3.0387,.5284;2.5715,-1.3787,-1.9865;3.1397,-.6763,-1.5661;-1.0054,.9486,-1.7298;-1.8729,.846,-1.282;2.8908,-2.2225,-1.6567;-.5613,1.6906,-1.2791;3.9656,.4808,-.7867;4.268,1.2103,-1.3297;-1.8852,.2895,2.2357;-2.2064,-.2195,2.9826;.1068,2.9405,-.127;.3083,3.8206,-.4509;-1.9334,2.9888,1.5552;-1.8918,2.1254,2.0023;-2.7559,2.9665,1.0594;-3.2716,.4551,-.2494;-2.8964,.2764,.6284;-3.5216,-.4111,-.5811;2.169,1.3595,.9782;1.5089,1.9695,.6069;1.6753,.5644,1.2002; 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 1079.3947289690 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 1.950e-02 Time for diagonalization 0.016 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.048 sec Total time needed 0.064 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;19;17;21;11;13;23;26;29/E:(2,3,4);;;;;;;;/CRV:1.4,5.3;;;;;;;;/rA:31nB4FFFO3HHHHHOHOHHHOHOHOHOHHOHHOHH/rB:s1;s1;s1;s1;s5;s5;;;;;s11;;s13;s11;s13;s9;s17;s8;s19;s10;s21;;s23;s23;;s26;s26;;s29;s29;/rC:-.1766,-1.8868,-.0449;.5873,-3.0128,.0814;-1.5336,-2.1291,-.0059;.1426,-.975,1.0276;.1611,-1.2255,-1.3417;-.2956,-.3156,-1.543;1.1536,-1.2667,-1.6322;-1.1149,-.1948,1.8833;3.3659,.8665,-.1033;-.631,3.0387,.5284;2.5715,-1.3787,-1.9865;3.1397,-.6763,-1.5661;-1.0054,.9486,-1.7298;-1.8729,.846,-1.282;2.8908,-2.2225,-1.6567;-.5613,1.6906,-1.2791;3.9656,.4808,-.7867;4.268,1.2103,-1.3297;-1.8852,.2895,2.2357;-2.2064,-.2195,2.9826;.1068,2.9405,-.127;.3083,3.8206,-.4509;-1.9334,2.9888,1.5552;-1.8918,2.1254,2.0023;-2.7559,2.9665,1.0594;-3.2716,.4551,-.2494;-2.8964,.2764,.6284;-3.5216,-.4111,-.5811;2.169,1.3595,.9782;1.5089,1.9695,.6069;1.6753,.5644,1.2002; -1010.55193202 1079.39472897 -2089.94666099 -3551.54794856 1461.60128756 -2015.01072629 1004.45879427 2.00606609 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-11.5686 -11.3674 -11.1978 -11.1545 -10.9340 -10.7493 -10.4861 -10.3611 -10.2692 -10.1906 -10.0059 1.9756 3.0110 3.3163 3.7182 4.2036 4.3403 4.5872 5.6945 6.3917 6.7675 7.1472 7.3802 7.5602 7.9678 8.3001 8.4709 8.6836 8.8933 9.1853 9.7742 10.3898 10.8218 11.8556 12.5959 14.7120 15.1939 21.1204 21.7876 21.9642 22.5759 22.8461 22.8809 23.5368 23.6451 23.7614 24.3638 24.5569 24.8015 25.0090 25.4055 25.8013 26.0581 26.1357 26.1959 26.6783 27.2234 27.3932 27.5231 28.1706 28.4887 28.6364 29.1611 29.4638 29.8718 29.9474 30.5903 30.6656 31.0075 31.0430 31.5392 31.7024 31.7452 31.8893 32.4527 32.4703 32.9456 33.2607 33.2768 33.3724 33.7133 34.0572 34.3266 34.8264 34.9450 35.1625 35.3481 35.7714 36.2570 36.9131 37.1930 37.5037 38.1373 38.2675 38.8719 40.7560 41.2411 41.8373 42.1680 45.2378 46.1586 46.2775 46.5086 47.3442 47.3571 47.4390 47.6093 47.6787 47.7854 47.8688 47.9809 48.0061 48.0625 48.1165 48.2451 48.2874 48.3531 48.3997 48.4985 48.5946 48.6320 48.8148 48.9317 49.0809 49.2416 49.4354 49.5376 49.9918 50.5452 51.6552 51.9256 52.4155 52.6330 52.9226 53.2730 53.3983 53.9329 54.2887 55.0965 55.7156 56.8842 60.6653 66.1661 66.2334 67.1100 67.6456 67.8428 68.4817 68.7571 69.1869 69.2973 69.5050 69.9230 70.4237 72.6681 73.1519 74.0319 74.6837 74.9046 75.2014 75.4711 76.4720 77.7376 80.8538 83.1216 87.8038 89.0584 89.8140 270.3739 687.1996 688.4361 689.9889 691.9487 693.5260 693.8513 695.3549 695.9116 698.6973 889.8840 892.0227 899.5040 -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 H H O H O H H H O H O H O H O H H O H H O H H 0.729992 -0.354991 -0.379515 -0.432230 -0.807592 0.518525 0.522911 0.484272 0.464988 0.469420 -0.878343 0.472051 -0.905245 0.454911 0.442351 0.454129 -0.874137 0.422629 -0.879531 0.445029 -0.881360 0.436457 -0.858238 0.464107 0.436429 -0.863773 0.446845 0.440654 -0.880938 0.450270 0.439922 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 H H O H O H H H O H O H O H O H H O H H O H H 4.2700 9.3550 9.3795 9.4322 8.8076 0.4815 0.4771 0.5157 0.5350 0.5306 8.8783 0.5279 8.9052 0.5451 0.5576 0.5459 8.8741 0.5774 8.8795 0.5550 8.8814 0.5635 8.8582 0.5359 0.5636 8.8638 0.5532 0.5593 8.8809 0.5497 0.5601 5.0000 9.0000 9.0000 9.0000 8.0000 1.0000 1.0000 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 8.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 0.7300 -0.3550 -0.3795 -0.4322 -0.8076 0.5185 0.5229 0.4843 0.4650 0.4694 -0.8783 0.4721 -0.9052 0.4549 0.4424 0.4541 -0.8741 0.4226 -0.8795 0.4450 -0.8814 0.4365 -0.8582 0.4641 0.4364 -0.8638 0.4468 0.4407 -0.8809 0.4503 0.4399 3.6154 1.0583 1.0269 0.9795 1.8209 0.7522 0.7472 0.7844 0.8076 0.8039 1.6810 0.8042 1.6615 0.8179 0.7879 0.8150 1.6622 0.8022 1.6926 0.7854 1.6876 0.7916 1.6914 0.8002 0.7937 1.6792 0.8180 0.7923 1.6609 0.8155 0.8083 3.6154 1.0583 1.0269 0.9795 1.8209 0.7522 0.7472 0.7844 0.8076 0.8039 1.6810 0.8042 1.6615 0.8179 0.7879 0.8150 1.6622 0.8022 1.6926 0.7854 1.6876 0.7916 1.6914 0.8002 0.7937 1.6792 0.8180 0.7923 1.6609 0.8155 0.8083 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0210 0.9745 0.7663 0.7615 0.1205 0.5005 0.5042 0.2438 0.2348 0.6551 0.6436 0.1632 0.6240 0.1764 0.6146 0.7826 0.1870 0.6671 0.6878 0.1486 0.1236 0.8008 0.7836 0.1056 0.1068 0.7890 0.1131 0.6940 0.7876 0.7031 0.7838 0.7019 0.7564 0 1 0 2 0 3 0 4 3 7 4 5 4 6 5 12 6 10 7 18 8 16 8 28 9 20 9 22 10 11 10 14 11 16 12 13 12 15 13 25 15 20 16 17 18 19 18 23 18 26 20 21 20 29 22 23 22 24 25 26 25 27 28 29 28 30 -0.012961447 -1010.457892359851 1.56879 -2.09318 -0.52438 21.13815 -19.34987 1.78827 -1.31633 1.72989 0.41355 1.90891 4.85206 Orca 5.0.3 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 H H O H O H H H O H O H O H O H H O H H O H H 1 2 2 2 3 4 4 4 4 4 3 4 3 4 4 4 3 4 3 4 3 4 3 4 4 3 4 4 3 4 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;19;17;21;11;13;23;26;29/E:(2,3,4);;;;;;;;/CRV:1.4,5.3;;;;;;;;/rA:31nB4FFFO3HHHHHOHOHHHOHOHOHOHHOHHOHH/rB:s1;s1;s1;s1;s5;s5;;;;;s11;;s13;s11;s13;s9;s17;s8;s19;s10;s21;;s23;s23;;s26;s26;;s29;s29;/rC:-.1769,-1.8871,-.0448;.5872,-3.0132,.0811;-1.534,-2.1295,-.0058;.1422,-.9754,1.028;.1604,-1.2255,-1.3415;-.2955,-.3149,-1.5422;1.1527,-1.2673,-1.6329;-1.1156,-.1959,1.8845;3.3666,.8671,-.1029;-.6299,3.0368,.5279;2.5712,-1.3769,-1.9865;3.1401,-.676,-1.5645;-1.0058,.9487,-1.7304;-1.873,.8468,-1.2819;2.8904,-2.2218,-1.6589;-.5614,1.6911,-1.281;3.9664,.4808,-.7857;4.2706,1.2099,-1.3278;-1.8863,.2887,2.236;-2.2073,-.2188,2.9841;.107,2.9402,-.129;.3077,3.8211,-.4514;-1.9317,2.9873,1.5545;-1.8915,2.1239,2.002;-2.7547,2.9667,1.0589;-3.2713,.4551,-.2485;-2.8977,.2756,.6299;-3.5225,-.4108,-.5807;2.169,1.3604,.9769;1.5088,1.9705,.6061;1.6752,.5656,1.2004; 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 1079.3769176107 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 1.951e-02 Time for diagonalization 0.016 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.012 sec Total time needed 0.029 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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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 H H O H O H H H O H O H O H O H H O H H O H H 1 2 2 2 3 4 4 4 4 4 3 4 3 4 4 4 3 4 3 4 3 4 3 4 4 3 4 4 3 4 4 211.8008096 AuxInfo=1/0/N:1,2,3,4,5;19;17;21;11;13;23;26;29/E:(2,3,4);;;;;;;;/CRV:1.4,5.3;;;;;;;;/rA:31nB4FFFO3HHHHHOHOHHHOHOHOHOHHOHHOHH/rB:s1;s1;s1;s1;s5;s5;;;;;s11;;s13;s11;s13;s9;s17;s8;s19;s10;s21;;s23;s23;;s26;s26;;s29;s29;/rC:-.1769,-1.8871,-.0448;.5872,-3.0132,.0811;-1.534,-2.1295,-.0058;.1422,-.9754,1.028;.1604,-1.2255,-1.3415;-.2955,-.3149,-1.5422;1.1527,-1.2673,-1.6329;-1.1156,-.1959,1.8845;3.3666,.8671,-.1029;-.6299,3.0368,.5279;2.5712,-1.3769,-1.9865;3.1401,-.676,-1.5645;-1.0058,.9487,-1.7304;-1.873,.8468,-1.2819;2.8904,-2.2218,-1.6589;-.5614,1.6911,-1.281;3.9664,.4808,-.7857;4.2706,1.2099,-1.3278;-1.8863,.2887,2.236;-2.2073,-.2188,2.9841;.107,2.9402,-.129;.3077,3.8211,-.4514;-1.9317,2.9873,1.5545;-1.8915,2.1239,2.002;-2.7547,2.9667,1.0589;-3.2713,.4551,-.2485;-2.8977,.2756,.6299;-3.5225,-.4108,-.5807;2.169,1.3604,.9769;1.5088,1.9705,.6061;1.6752,.5656,1.2004; 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 1079.3769176107 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 1.951e-02 Time for diagonalization 0.016 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.014 sec Total time needed 0.031 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 O H H H O H O H O H O H H O H H O H H 4.2698 9.3550 9.3795 9.4324 8.8076 0.4815 0.4771 0.5157 0.5349 0.5306 8.8784 0.5279 8.9052 0.5451 0.5577 0.5458 8.8742 0.5773 8.8795 0.5550 8.8814 0.5636 8.8583 0.5359 0.5636 8.8639 0.5531 0.5594 8.8810 0.5497 0.5601 5.0000 9.0000 9.0000 9.0000 8.0000 1.0000 1.0000 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 8.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 0.7302 -0.3550 -0.3795 -0.4324 -0.8076 0.5185 0.5229 0.4843 0.4651 0.4694 -0.8784 0.4721 -0.9052 0.4549 0.4423 0.4542 -0.8742 0.4227 -0.8795 0.4450 -0.8814 0.4364 -0.8583 0.4641 0.4364 -0.8639 0.4469 0.4406 -0.8810 0.4503 0.4399 3.6152 1.0582 1.0268 0.9793 1.8210 0.7522 0.7472 0.7843 0.8075 0.8039 1.6808 0.8042 1.6616 0.8179 0.7880 0.8149 1.6621 0.8022 1.6927 0.7854 1.6876 0.7916 1.6914 0.8002 0.7937 1.6791 0.8179 0.7924 1.6607 0.8154 0.8083 3.6152 1.0582 1.0268 0.9793 1.8210 0.7522 0.7472 0.7843 0.8075 0.8039 1.6808 0.8042 1.6616 0.8179 0.7880 0.8149 1.6621 0.8022 1.6927 0.7854 1.6876 0.7916 1.6914 0.8002 0.7937 1.6791 0.8179 0.7924 1.6607 0.8154 0.8083 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0209 0.9745 0.7663 0.7615 0.1205 0.5004 0.5044 0.2439 0.2346 0.6551 0.6436 0.1631 0.6239 0.1765 0.6146 0.7827 0.1869 0.6672 0.6877 0.1485 0.1236 0.8008 0.7836 0.1057 0.1068 0.7890 0.1132 0.6938 0.7876 0.7030 0.7839 0.7017 0.7565 0 1 0 2 0 3 0 4 3 7 4 5 4 6 5 12 6 10 7 18 8 16 8 28 9 20 9 22 10 11 10 14 11 16 12 13 12 15 13 25 15 20 16 17 18 19 18 23 18 26 20 21 20 29 22 23 22 24 25 26 25 27 28 29 28 30 -0.012959961 -1010.457892063769 1.57110 -2.09634 -0.52524 21.14212 -19.35179 1.79033 -1.31281 1.73135 0.41854 1.91215 4.86030