Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 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 O O O O O O N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 1 1 1 1 1 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 342.19839999999976 AuxInfo=1/0/N:18,25,26,23,24,16,13,15,22,14,10,12,20,21,11,17,19,8,9,7,3,5,6,2,4,1/E:(2,3)(13,14)(18,19)(22,23)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.2,19.2,20.2,21.1/rA:45nOOO1OOON2N2N2C3C3C3C3C3C3C3C3CC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s1s11;s10;s7s10;s12;s13s15;s2s3s11;s14;s1s8s9;s5s8;s6s9;s20s21;s2;s4;s5;s6;s13;s15;s16;s18;s18;s18;s22;s23;s23;s23;s24;s24;s24;s25;s25;s25;s26;s26;s26;/rC:.4908,-.7819,-1.2108;-1.8491,1.0259,-1.4886;-.8465,1.868,.3247;-4.7499,1.5794,1.3271;4.4377,.7432,-2.7471;4.0535,-.7062,1.6483;-3.6974,.8416,.8991;2.4317,-.0244,-1.9714;2.235,-.7507,.266;-2.2408,-.9388,1.1894;-1.3342,-.461,.2335;-.3299,-1.2915,-.232;-2.0882,-2.2428,1.6523;-3.365,-.1118,1.6753;-.1883,-2.5934,.2189;-1.0766,-3.0604,1.1701;-1.3367,.9471,-.2769;-4.0296,-.4516,2.9704;1.7799,-.5129,-.9401;3.7123,.2467,-1.7599;3.5214,-.481,.4597;4.3381,.0294,-.5383;-1.8819,2.3157,-2.0999;-4.9546,2.6802,.4605;3.8104,.9982,-3.9997;3.2286,-1.2371,2.6813;-2.7762,-2.6411,2.3854;.5998,-3.2267,-.1665;-.985,-4.0733,1.5385;-3.3014,-.8048,3.6989;-4.7679,-1.245,2.8332;-4.546,.4042,3.3987;5.3839,.2473,-.3762;-2.4503,3.0281,-1.5014;-2.3753,2.1787,-3.0583;-.8764,2.7036,-2.2656;-4.1144,3.3783,.488;-5.125,2.3581,-.5693;-5.8459,3.1899,.823;4.5883,1.408,-4.6392;3.0034,1.7259,-3.9074;3.42,.0859,-4.4512;2.8209,-2.2125,2.4138;3.8778,-1.3481,3.5464;2.4097,-.5626,2.9321; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1483 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 190 Dim 1072 ENuc 2416.9858470664 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-04 Converg. threshold II (energy diff.) 1.000e-07 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 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 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.250e-06 Time for diagonalization 0.403 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.188 sec Total time needed 0.596 sec 8 8 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.19839999999976 AuxInfo=1/0/N:18,25,26,23,24,16,13,15,22,14,10,12,20,21,11,17,19,8,9,7,3,5,6,2,4,1/E:(2,3)(13,14)(18,19)(22,23)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.2,19.2,20.2,21.1/rA:45nOOO1OOON2N2N2C3C3C3C3C3C3C3C3CC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s1s11;s10;s7s10;s12;s13s15;s2s3s11;s14;s1s8s9;s5s8;s6s9;s20s21;s2;s4;s5;s6;s13;s15;s16;s18;s18;s18;s22;s23;s23;s23;s24;s24;s24;s25;s25;s25;s26;s26;s26;/rC:.4908,-.7819,-1.2108;-1.8491,1.0259,-1.4886;-.8465,1.868,.3247;-4.7499,1.5794,1.3271;4.4377,.7432,-2.7471;4.0535,-.7062,1.6483;-3.6974,.8416,.8991;2.4317,-.0244,-1.9714;2.235,-.7507,.266;-2.2408,-.9388,1.1894;-1.3342,-.461,.2335;-.3299,-1.2915,-.232;-2.0882,-2.2428,1.6523;-3.365,-.1118,1.6753;-.1883,-2.5934,.2189;-1.0766,-3.0604,1.17;-1.3367,.9471,-.2769;-4.0296,-.4516,2.9704;1.7799,-.5129,-.9401;3.7123,.2467,-1.7599;3.5214,-.481,.4597;4.3381,.0294,-.5383;-1.8819,2.3157,-2.0999;-4.9546,2.6802,.4605;3.8104,.9982,-3.9997;3.2286,-1.2371,2.6813;-2.7762,-2.6411,2.3854;.5998,-3.2267,-.1665;-.985,-4.0733,1.5385;-3.3014,-.8048,3.6989;-4.7679,-1.245,2.8332;-4.546,.4042,3.3987;5.3839,.2473,-.3762;-2.4503,3.0281,-1.5014;-2.3753,2.1787,-3.0583;-.8764,2.7036,-2.2656;-4.1144,3.3783,.488;-5.125,2.3581,-.5693;-5.8459,3.1899,.823;4.5883,1.408,-4.6392;3.0034,1.7259,-3.9074;3.42,.0859,-4.4512;2.8209,-2.2125,2.4138;3.8778,-1.3481,3.5464;2.4097,-.5626,2.9321; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 342.19839999999976 AuxInfo=1/0/N:18,25,26,23,24,16,13,15,22,14,10,12,20,21,11,17,19,8,9,7,3,5,6,2,4,1/E:(2,3)(13,14)(18,19)(22,23)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.2,19.2,20.2,21.1/rA:45nOOO1OOON2N2N2C3C3C3C3C3C3C3C3CC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s1s11;s10;s7s10;s12;s13s15;s2s3s11;s14;s1s8s9;s5s8;s6s9;s20s21;s2;s4;s5;s6;s13;s15;s16;s18;s18;s18;s22;s23;s23;s23;s24;s24;s24;s25;s25;s25;s26;s26;s26;/rC:.4908,-.7819,-1.2108;-1.8491,1.0259,-1.4886;-.8465,1.868,.3247;-4.7499,1.5794,1.3271;4.4377,.7432,-2.7471;4.0535,-.7062,1.6483;-3.6974,.8416,.8991;2.4317,-.0244,-1.9714;2.235,-.7507,.266;-2.2408,-.9388,1.1894;-1.3342,-.461,.2335;-.3299,-1.2915,-.232;-2.0882,-2.2428,1.6523;-3.365,-.1118,1.6753;-.1883,-2.5934,.2189;-1.0766,-3.0604,1.1701;-1.3367,.9471,-.2769;-4.0296,-.4516,2.9704;1.7799,-.5129,-.9401;3.7123,.2467,-1.7599;3.5214,-.481,.4597;4.3381,.0294,-.5383;-1.8819,2.3157,-2.0999;-4.9546,2.6802,.4605;3.8104,.9982,-3.9997;3.2286,-1.2371,2.6813;-2.7762,-2.6411,2.3854;.5998,-3.2267,-.1665;-.985,-4.0733,1.5385;-3.3014,-.8048,3.6989;-4.7679,-1.245,2.8332;-4.546,.4042,3.3987;5.3839,.2473,-.3762;-2.4503,3.0281,-1.5014;-2.3753,2.1787,-3.0583;-.8764,2.7036,-2.2656;-4.1144,3.3783,.488;-5.125,2.3581,-.5693;-5.8459,3.1899,.823;4.5883,1.408,-4.6392;3.0034,1.7259,-3.9074;3.42,.0859,-4.4512;2.8209,-2.2125,2.4138;3.8778,-1.3481,3.5464;2.4097,-.5626,2.9321; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2654 GEPOL Volume 2349.4375 GEPOL Surface-area 1362.0563 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -1274.93730901 2416.98584707 -3691.92315608 -6546.46345601 2854.54029994 -0.03547556 -2544.71764360 1269.78033459 2.00406131 94.999914383086 94.999914383086 189.999828766172 -119.070345145256 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 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 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 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -525.0050 -524.7833 -524.6900 -524.6521 -524.6429 -523.1760 -393.8051 -392.4488 -392.4061 -283.5771 -283.4687 -282.7738 -282.7563 -281.8323 -281.0572 -280.8521 -280.8288 -280.8168 -280.6276 -280.5748 -280.4779 -280.0268 -280.0091 -279.9600 -279.6137 -279.5245 -33.9090 -33.6816 -33.4293 -33.1491 -33.0752 -31.2100 -30.0588 -27.8387 -27.6638 -26.8381 -25.1144 -24.5536 -24.2138 -23.2971 -23.0909 -22.8814 -22.0773 -21.8089 -21.5422 -20.5998 -20.1741 -19.6642 -18.9235 -18.4528 -18.1928 -17.8812 -17.5601 -17.1374 -16.9538 -16.5161 -16.4188 -16.2500 -16.1675 -15.8858 -15.7940 -15.7733 -15.7063 -15.6317 -15.5595 -14.9562 -14.6156 -14.5286 -14.3815 -14.2131 -14.0995 -13.8885 -13.5761 -13.3830 -13.3417 -13.0915 -12.8592 -12.6462 -12.6363 -12.5803 -12.4679 -12.4212 -12.2993 -12.2439 -11.6148 -11.2327 -11.1226 -10.7660 -10.4036 -10.2067 -10.1481 -10.0815 -9.4266 -8.9137 -8.6393 0.5877 1.3714 1.8073 1.8696 2.4320 3.1173 3.1985 3.5727 3.6502 4.0058 4.1146 4.3435 4.6298 4.6557 4.8337 4.8793 4.9957 5.0542 5.2327 5.2839 5.4171 5.4984 5.6060 5.6167 5.7073 5.8164 5.8726 5.8864 6.0862 6.2942 6.3503 6.4115 6.5711 6.6228 6.8520 7.1263 7.2289 7.3209 7.4814 7.6610 7.7275 7.9363 7.9685 8.1283 8.1871 8.2380 8.2934 8.4457 8.5998 8.6577 8.8297 8.8900 8.9282 9.0684 9.1787 9.2047 9.4994 9.6594 9.9854 10.0711 10.1824 10.2750 10.4339 10.4708 10.5608 10.6327 10.6921 10.7640 10.9717 11.0426 11.1058 11.2785 11.3150 11.3720 11.6210 11.7653 11.8023 11.9252 12.1293 12.2898 12.3786 12.5489 12.6474 12.7651 12.9439 12.9600 13.0820 13.1765 13.2531 13.3182 13.3500 13.4667 13.6908 13.8055 13.8914 13.9423 13.9776 14.0353 14.1395 14.2955 14.3425 14.4551 14.5385 14.5639 14.6331 14.8061 14.8933 14.9555 15.0185 15.1528 15.3445 15.3614 15.5123 15.6370 15.6559 15.8410 15.9958 16.1263 16.1770 16.2992 16.4938 16.6565 16.7286 16.8425 16.9409 17.2591 17.3250 17.4288 17.5818 17.7180 17.7407 17.8723 17.9273 18.1356 18.1868 18.4907 18.5942 18.6832 18.7867 19.0069 19.1001 19.2452 19.4118 19.5146 19.5422 19.7764 19.7925 19.8902 20.2375 20.3584 20.4600 20.5728 20.6906 20.8708 20.8877 21.1835 21.2629 21.4011 21.5938 21.6734 21.7687 21.8437 21.9859 22.1400 22.3466 22.4692 22.7564 22.7738 23.2299 23.3397 23.3577 23.6047 23.9281 24.0352 24.1298 24.2020 24.4215 24.6188 24.7908 24.9263 25.0305 25.1509 25.2166 25.2975 25.5216 25.6712 25.7692 25.9627 26.0286 26.3088 26.5817 26.6499 26.9677 27.0024 27.1716 27.2568 27.4043 27.4721 27.6372 27.7679 27.8604 27.9168 28.1052 28.2074 28.2472 28.4565 28.5823 28.6952 28.8447 29.0529 29.1697 29.4686 29.6499 29.6958 29.9351 30.0304 30.1819 30.2815 30.4383 30.6080 30.7676 30.8685 30.9391 31.0204 31.2275 31.3005 31.4830 31.5325 31.7239 31.7505 31.8350 31.9571 32.2693 32.4041 32.4239 32.6140 32.7712 32.8834 32.9729 33.0714 33.1196 33.4899 33.5939 33.7114 33.9839 34.0138 34.2954 34.6427 34.8171 35.0013 35.0512 35.0858 35.3590 35.6508 35.7430 35.8300 36.0561 36.1969 36.3412 36.6115 36.8049 36.8911 37.0470 37.2735 37.5510 37.9500 38.1222 38.3026 38.5337 38.6533 38.7772 38.8688 38.9646 39.1613 39.2981 39.6003 39.7083 39.8373 39.9601 40.0911 40.2613 40.6059 40.6459 40.8726 41.0554 41.0890 41.2720 41.4773 41.6700 41.7880 41.8039 41.9948 42.0368 42.2296 42.2839 42.3395 42.4447 42.5806 42.6803 42.7023 42.7852 42.9914 43.1187 43.1609 43.3401 43.4575 43.7907 43.8500 44.0490 44.1884 44.3523 44.5946 44.6728 44.7924 44.9718 45.1124 45.2343 45.4888 45.6305 45.8163 45.8802 45.9871 46.1150 46.2647 46.5847 46.9497 47.0682 47.1056 47.3929 47.6184 47.7687 47.7979 48.1013 48.1518 48.4353 48.5458 48.8028 49.1295 49.1415 49.2187 49.4887 49.7579 49.9595 50.2337 50.4265 50.5218 50.9032 51.1513 51.4152 51.6682 51.8887 52.2359 52.3705 52.5430 52.6734 52.8904 52.9884 53.0882 53.4661 53.5255 54.0759 54.2202 54.4016 54.9639 55.2616 55.6154 55.6614 55.9088 56.1627 56.7606 56.8845 57.1196 57.2140 57.3629 57.6277 57.8077 57.9830 58.3251 58.4135 58.6768 58.8681 59.3934 59.5462 59.7149 59.7452 59.9970 60.0968 60.1987 60.6257 60.8319 61.1291 61.2013 61.4433 61.7538 61.8878 61.9380 62.4367 62.5535 62.6609 62.8171 63.0545 63.4613 63.7818 64.0998 64.3467 64.7259 64.9284 65.4941 65.8547 66.0882 66.1726 66.2233 66.7937 67.0157 67.2164 67.6636 67.8158 68.0528 68.3096 68.4579 68.6073 68.6374 69.1343 69.4019 69.4632 69.6545 69.8415 70.2549 70.2673 70.5453 70.9503 71.5711 71.7421 72.3809 72.4118 72.4505 72.6814 72.7372 72.9627 73.1158 73.1564 73.2888 73.8330 74.3870 74.5696 74.6415 75.0262 75.2688 75.5977 75.7657 75.9248 76.2868 76.4458 76.5072 76.8646 77.0523 77.3363 77.3985 77.4771 77.5019 77.8778 78.0270 78.0907 78.1464 78.2984 78.4734 78.7914 78.8658 78.9206 78.9972 79.0402 79.2428 79.3515 79.3716 79.4774 79.8154 79.8551 80.0908 80.3589 80.3811 80.5634 80.6087 80.9316 81.0572 81.0752 81.1411 81.4305 81.7623 81.9753 82.0203 82.0583 82.1559 82.3348 82.4853 82.5518 82.8487 82.9218 82.9840 83.1486 83.1916 83.3820 83.4607 83.5888 83.7992 83.8244 83.9296 84.0535 84.1408 84.2560 84.4089 84.5802 84.6644 84.7109 84.9263 85.1155 85.2421 85.4410 85.6802 85.6916 85.9062 86.0912 86.1554 86.4047 86.4746 86.7048 86.7863 86.9468 87.0864 87.2285 87.3572 87.4856 87.6632 87.6743 87.8173 87.9578 88.0821 88.1931 88.3738 88.6071 88.7636 88.9207 88.9531 89.0759 89.4295 89.5959 89.6706 89.8045 90.0398 90.3364 90.4324 90.6550 90.7293 90.8826 91.1524 91.3168 91.3741 91.5833 91.8807 92.0103 92.4022 92.5457 92.6154 92.6725 92.8174 92.8510 92.9712 93.0301 93.2237 93.2897 93.4050 93.4811 93.6286 93.9487 94.1031 94.2514 94.4509 94.5540 94.6443 94.6968 94.7475 94.9925 95.3153 95.4542 95.5604 95.7059 96.0456 96.0667 96.1283 96.3248 96.4251 96.7754 96.8160 96.8860 97.1432 97.2997 97.4677 97.5383 97.6820 97.7173 97.8100 97.9003 97.9414 98.0340 98.3555 98.4685 98.7115 98.7501 98.9291 99.1192 99.2359 99.3359 99.6492 99.7772 99.8887 100.1004 100.3494 100.4644 100.8118 100.9689 101.2161 101.5499 101.6335 101.7896 102.0959 102.1262 102.3782 102.6553 102.7483 102.9448 103.0102 103.1513 103.4140 103.5613 103.9304 104.2512 104.4128 104.5130 104.6712 104.9189 104.9782 105.0787 105.2266 105.3031 105.7857 105.8320 106.1084 106.2857 106.4951 106.5137 106.6587 106.6898 106.8171 106.9211 107.1059 107.1579 107.6214 107.7637 107.7982 107.9018 108.0808 108.3418 108.6909 108.9215 109.1768 109.2905 109.6425 109.8013 109.9039 110.0910 110.2415 110.4660 110.6373 110.8918 111.0726 111.3210 111.4300 111.4798 111.6640 111.8324 112.0377 112.3340 112.5641 112.6208 112.9806 113.1239 113.3564 113.5263 113.6768 113.8979 114.0113 114.1379 114.2458 114.3874 114.4842 114.6967 114.8479 114.9494 115.1575 115.2230 115.3498 115.6872 115.7896 115.9241 116.1887 116.2320 116.8370 116.8926 117.1566 117.1761 117.5154 117.5995 117.9285 117.9645 118.2051 118.2321 118.3114 118.4044 118.5439 118.8377 119.1767 119.2197 119.4125 119.6285 119.8259 120.1016 120.3872 120.5463 120.8611 120.9290 121.2199 121.3834 122.1474 122.4160 122.7054 122.8849 123.0978 123.3166 123.6796 123.9759 124.1762 124.4047 124.5249 124.6428 125.1818 125.4987 125.6351 126.0938 126.2868 126.5123 126.6047 126.7455 126.8546 126.9969 127.1339 127.2081 127.4135 127.6459 128.5684 128.6529 128.8046 129.3803 129.7574 129.8445 129.9110 130.0183 130.4970 130.6899 131.0413 131.6225 131.9682 132.2401 132.5102 132.5777 133.1389 133.6175 133.9244 134.2956 134.5524 134.6050 134.8257 135.1665 135.2362 135.3622 135.4490 135.7857 136.0344 136.3346 136.5637 136.9102 137.2999 137.5680 138.2461 138.3723 138.4494 138.5194 138.6758 139.2320 139.4622 139.8757 140.0634 140.4001 140.5097 140.6037 140.7787 140.8581 141.1101 141.5087 141.5153 141.6922 141.7791 141.9555 142.4156 142.7046 142.8432 142.9917 143.2027 143.3962 143.4703 143.6521 144.1582 144.2258 144.3659 144.4945 144.5589 144.6552 144.8540 145.2497 145.2975 145.6740 145.8937 146.1809 146.2603 146.4609 146.5352 146.5923 147.2383 147.2581 147.5666 147.7366 147.9478 148.1298 148.2363 148.6575 148.8122 148.9942 149.2939 149.4372 149.7821 150.0006 150.4839 150.5470 150.7166 150.8324 151.3112 151.3986 151.7957 151.9924 152.4818 152.7890 153.1062 153.6770 153.9696 154.1275 154.1948 154.4411 154.4977 154.7393 155.1923 155.2888 155.4366 155.5619 155.6521 155.8575 156.4318 156.7447 157.1120 157.1664 157.7576 158.0717 158.5371 159.4869 159.6706 160.3332 160.5660 161.2432 162.2921 162.4882 162.7164 163.6861 164.0221 164.2130 164.5830 164.8846 164.9987 165.6782 166.3966 167.2871 167.7261 168.3518 168.3944 168.5274 168.8940 169.8608 170.3685 170.7624 171.2522 172.2397 172.7901 172.9512 173.7684 176.6339 177.3393 179.7768 179.9425 180.8908 181.6831 182.4692 183.5372 184.9518 185.0003 185.2889 185.7113 185.7986 186.2781 186.7426 187.3261 187.4806 188.0256 188.8999 189.4940 190.1961 190.7571 190.9579 191.1452 191.5154 192.9535 194.2015 194.6406 195.5746 196.9519 198.5368 200.5830 201.0723 201.2371 203.0320 203.4593 205.7280 206.2001 206.7950 207.1957 215.3015 616.8010 629.8205 632.3486 633.3931 634.5758 634.8332 636.7667 638.4089 642.0290 642.5041 643.4655 643.7365 645.4063 646.1191 646.4458 646.4641 657.0690 883.2185 887.7227 896.6065 1201.2146 1206.3757 1207.8679 1209.6698 1211.8265 1214.6431 -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 31 32 33 34 35 36 37 38 39 40 41 42 43 44 O O O O O O N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.299920 -0.264318 -0.435371 -0.254024 -0.294923 -0.294775 -0.132811 -0.406421 -0.414801 0.045802 -0.070030 0.261452 -0.181350 0.171556 -0.209354 -0.122841 0.415511 -0.257159 0.395478 0.418915 0.398519 -0.315554 -0.138312 -0.122190 -0.115336 -0.114077 0.150197 0.147796 0.160024 0.105919 0.117497 0.103561 0.140272 0.111165 0.129672 0.123071 0.108039 0.106432 0.124296 0.129072 0.113017 0.111509 0.109904 0.130932 0.113959 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 O O O O O O N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 8.2999 8.2643 8.4354 8.2540 8.2949 8.2948 7.1328 7.4064 7.4148 5.9542 6.0700 5.7385 6.1813 5.8284 6.2094 6.1228 5.5845 6.2572 5.6045 5.5811 5.6015 6.3156 6.1383 6.1222 6.1153 6.1141 0.8498 0.8522 0.8400 0.8941 0.8825 0.8964 0.8597 0.8888 0.8703 0.8769 0.8920 0.8936 0.8757 0.8709 0.8870 0.8885 0.8901 0.8691 0.8860 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 1.0000 1.0000 1.0000 -0.2999 -0.2643 -0.4354 -0.2540 -0.2949 -0.2948 -0.1328 -0.4064 -0.4148 0.0458 -0.0700 0.2615 -0.1813 0.1716 -0.2094 -0.1228 0.4155 -0.2572 0.3955 0.4189 0.3985 -0.3156 -0.1383 -0.1222 -0.1153 -0.1141 0.1502 0.1478 0.1600 0.1059 0.1175 0.1036 0.1403 0.1112 0.1297 0.1231 0.1080 0.1064 0.1243 0.1291 0.1130 0.1115 0.1099 0.1309 0.1140 2.1046 2.1197 2.0646 1.9475 2.1238 2.1261 2.8623 2.9483 2.9274 3.7893 3.7914 3.7283 3.9320 3.8171 4.0115 3.9124 4.2044 3.9366 4.2609 4.0065 4.0492 3.9207 3.8755 3.8927 3.8527 3.8518 0.9963 1.0034 0.9899 0.9994 0.9957 1.0203 1.0174 0.9922 0.9947 0.9949 0.9897 0.9921 0.9944 0.9935 0.9960 0.9966 0.9932 0.9942 0.9957 2.1046 2.1197 2.0646 1.9475 2.1238 2.1261 2.8623 2.9483 2.9274 3.7893 3.7914 3.7283 3.9320 3.8171 4.0115 3.9124 4.2044 3.9366 4.2609 4.0065 4.0492 3.9207 3.8755 3.8927 3.8527 3.8518 0.9963 1.0034 0.9899 0.9994 0.9957 1.0203 1.0174 0.9922 0.9947 0.9949 0.9897 0.9921 0.9944 0.9935 0.9960 0.9966 0.9932 0.9942 0.9957 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.8975 1.1159 1.2470 0.8703 1.9350 0.8691 0.9294 1.1934 0.8725 1.1961 0.8725 1.8371 1.5373 1.3200 1.4374 1.3470 1.3251 1.4134 1.0008 1.4396 0.8547 1.3777 1.4224 0.9758 0.9395 1.4304 0.9935 0.9778 0.9946 0.9694 0.9815 1.3806 1.3923 0.9771 0.9767 0.9815 0.9814 0.9799 0.9784 0.9784 0.9814 0.9788 0.9788 0.9788 0.9828 0.9792 0 11 0 18 1 16 1 22 2 16 3 6 3 23 4 19 4 24 5 20 5 25 6 13 7 18 7 19 8 18 8 20 9 10 9 12 9 13 10 11 10 16 11 14 12 15 12 26 13 17 14 15 14 27 15 28 17 29 17 30 17 31 19 21 20 21 21 32 22 33 22 34 22 35 23 36 23 37 23 38 24 39 24 40 24 41 25 42 25 43 25 44 -0.021440813 -1274.958749821815 -10.23704 9.64770 -0.58933 4.80385 -5.66972 -0.86587 3.29460 -3.02439 0.27020 1.08169 2.74944