210 significant shell pairs computed in 0.000101 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 3.579582 seconds ****************************************************************************************** * QuAcK QuAcK QuAcK * * __ __ __ __ __ __ __ __ __ * * <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ * * ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / * *|--------------------------------------------------------------------------------------|* ****************************************************************************************** ---------------------- Number of atoms 2 ---------------------- ---------------------- Number of spin-up electron 2 Number of spin-down electron 0 Total number of electron 2 ---------------------- ---------------------- Number of core electron 0 Number of Rydberg electron 0 ---------------------- ------------------ Molecular geometry ------------------ Atom n. 1 Z = 1.0000000000 Atom coordinates: 0.0000000000 0.0000000000 0.0000000000 Atom n. 2 Z = 1.0000000000 Atom coordinates: 0.0000000000 0.0000000000 3.4959933321 ------------------ Nuclear repulsion energy = 0.2860417355 ------------------ Gaussian basis set ------------------ Atom n. 1 number of shells 10 ------------------ s-type shell with K = 6 Exponents Contraction 82.6400000000 0.0020060000 12.4100000000 0.0153430000 2.8240000000 0.0755790000 0.7977000000 0.2568750000 0.2581000000 0.4973680000 0.0898900000 0.2961330000 s-type shell with K = 1 Exponents Contraction 0.7977000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.2581000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.0898900000 1.0000000000 p-type shell with K = 1 Exponents Contraction 2.2920000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.8380000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.2920000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 2.0620000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 0.6620000000 1.0000000000 f-type shell with K = 1 Exponents Contraction 1.3970000000 1.0000000000 ------------------ Atom n. 2 number of shells 10 ------------------ s-type shell with K = 6 Exponents Contraction 82.6400000000 0.0020060000 12.4100000000 0.0153430000 2.8240000000 0.0755790000 0.7977000000 0.2568750000 0.2581000000 0.4973680000 0.0898900000 0.2961330000 s-type shell with K = 1 Exponents Contraction 0.7977000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.2581000000 1.0000000000 s-type shell with K = 1 Exponents Contraction 0.0898900000 1.0000000000 p-type shell with K = 1 Exponents Contraction 2.2920000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.8380000000 1.0000000000 p-type shell with K = 1 Exponents Contraction 0.2920000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 2.0620000000 1.0000000000 d-type shell with K = 1 Exponents Contraction 0.6620000000 1.0000000000 f-type shell with K = 1 Exponents Contraction 1.3970000000 1.0000000000 ------------------ Number of shells 20 ------------------ ------------------ Number of basis functions 70 ------------------ Scaling integrals by 1.0000000000000000 Total CPU time for reading integrals = 1.108 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.9685923357 | -0.6638325454 | 1.000000 | | 2 | -0.9826511752 | -0.6513357116 | 0.024361 | | 3 | -0.9843356803 | -0.6462488033 | 0.008957 | | 4 | -0.9845580885 | -0.6443246851 | 0.003371 | | 5 | -0.9845904601 | -0.6436058990 | 0.001302 | | 6 | -0.9845956302 | -0.6433373806 | 0.000517 | | 7 | -0.9845965259 | -0.6432368184 | 0.000211 | | 8 | -0.9845966914 | -0.6431990511 | 0.000088 | | 9 | -0.9845967235 | -0.6431848301 | 0.000038 | | 10 | -0.9845967298 | -0.6431794626 | 0.000016 | | 11 | -0.9845967312 | -0.6431774326 | 0.000007 | | 12 | -0.9845967314 | -0.6431766634 | 0.000003 | | 13 | -0.9845967315 | -0.6431763715 | 0.000001 | | 14 | -0.9845967315 | -0.6431762606 | 0.000001 | | 15 | -0.9845967315 | -0.6431762184 | 0.000000 | | 16 | -0.9845967315 | -0.6431762023 | 0.000000 | | 17 | -0.9845967315 | -0.6431761962 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.5366823285 au One-electron a energy: -1.5366823285 au One-electron b energy: 0.0000000000 au Kinetic energy: 1.0585013565 au Kinetic a energy: 1.0585013565 au Kinetic b energy: 0.0000000000 au Potential energy: -2.5951836849 au Potential a energy: -2.5951836849 au Potential b energy: 0.0000000000 au ------------------------------------------------- Two-electron energy: 0.2660438615 au Two-electron aa energy: 0.2660438615 au Two-electron ab energy: 0.0000000000 au Two-electron bb energy: 0.0000000000 au Hartree energy: 0.9092200577 au Hartree aa energy: 0.9092200577 au Hartree ab energy: 0.0000000000 au Hartree bb energy: 0.0000000000 au Exchange energy: -0.6431761962 au Exchange a energy: -0.6431761962 au Exchange b energy: 0.0000000000 au ------------------------------------------------- Electronic energy: -1.2706384670 au Nuclear repulsion: 0.2860417355 au UHF energy: -0.9845967315 au ------------------------------------------------- UHF HOMO a energy: -11.760018 eV UHF LUMO a energy: 6.368575 eV UHF HOMOa-LUMOa gap: 18.128593 eV ------------------------------------------------- UHF HOMO b energy: 0.000000 eV UHF LUMO b energy: 0.302476 eV UHF HOMOb-LUMOb gap : 0.000000 eV ------------------------------------------------- S (exact) : 3.000000 S : 3.000000 (exact) : 2.000000 : 2.000000 ------------------------------------------------- Dipole moment (Debye) X Y Z Tot. 0.000000 0.000000 -0.000001 0.000001 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 -0.69455668 0.76210901 0.09351098 0.02355963 0.00000000 2 0.00488180 -0.00122925 0.17336559 0.19188892 0.00000000 3 0.01318707 0.01129709 -1.85196486 -1.86889300 0.00000000 4 0.05330875 0.07129753 1.22697695 2.06343391 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.46683194 6 0.00000000 0.00000000 0.00000000 0.00000000 0.11241267 7 0.00311069 -0.00011026 -0.07724529 0.06515749 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 -1.68064047 9 0.00000000 0.00000000 0.00000000 0.00000000 -0.40469657 10 -0.01570027 -0.00543718 0.27443929 -0.24365344 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.93170865 12 0.00000000 0.00000000 0.00000000 0.00000000 0.22435452 13 -0.00292859 -0.00854344 -0.14208642 0.10168580 0.00000000 14 -0.00054311 0.00052095 0.01751019 0.01502884 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00032456 17 -0.00054311 0.00052095 0.01751019 0.01502884 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00007815 19 -0.00046350 0.00040707 0.01421178 0.01642213 0.00000000 20 0.00001947 0.00101671 0.19032019 0.19396794 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00110467 23 0.00001947 0.00101671 0.19032019 0.19396794 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00026600 25 -0.00267662 -0.00022607 0.21424423 0.18713076 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.68167040 27 0.00000000 0.00000000 0.00000000 0.00000000 0.07340813 28 0.00257296 0.00048264 -0.05063422 0.04480620 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 0.30485227 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.30166725 32 0.00000000 0.00000000 0.00000000 0.00000000 0.16414556 33 0.00257296 0.00048264 -0.05063422 0.04480620 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.07264118 35 0.00510514 0.00084745 -0.10750604 0.09563277 0.00000000 36 -0.69455610 -0.76210933 0.09351071 -0.02355975 0.00000000 37 0.00488182 0.00122924 0.17336516 -0.19188933 0.00000000 38 0.01318718 -0.01129682 -1.85196066 1.86889740 0.00000000 39 0.05330846 -0.07129784 1.22697223 -2.06343677 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.46683197 41 0.00000000 0.00000000 0.00000000 0.00000000 0.11241268 42 -0.00311070 -0.00011034 0.07724542 0.06515735 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -1.68064056 44 0.00000000 0.00000000 0.00000000 0.00000000 -0.40469659 45 0.01570029 -0.00543693 -0.27443978 -0.24365295 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.93170871 47 0.00000000 0.00000000 0.00000000 0.00000000 0.22435454 48 0.00292850 -0.00854367 0.14208660 0.10168554 0.00000000 49 -0.00054311 -0.00052095 0.01751016 -0.01502889 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00032456 52 -0.00054311 -0.00052095 0.01751016 -0.01502889 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00007815 54 -0.00046350 -0.00040707 0.01421175 -0.01642216 0.00000000 55 0.00001947 -0.00101673 0.19031975 -0.19396839 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00110467 58 0.00001947 -0.00101673 0.19031975 -0.19396839 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00026600 60 -0.00267662 0.00022605 0.21424381 -0.18713128 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.68167044 62 0.00000000 0.00000000 0.00000000 0.00000000 0.07340813 63 -0.00257296 0.00048259 0.05063431 0.04480611 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.30485229 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.30166726 67 0.00000000 0.00000000 0.00000000 0.00000000 0.16414557 68 -0.00257296 0.00048259 0.05063431 0.04480611 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.07264118 70 -0.00510515 0.00084735 0.10750623 0.09563258 0.00000000 6 7 8 9 10 1 0.00000000 -0.03656255 0.00000000 0.00000000 -0.40790947 2 0.00000000 0.03980769 0.00000000 0.00000000 -0.04564915 3 0.00000000 -0.55368050 0.00000000 0.00000000 0.52770364 4 0.00000000 0.27495676 0.00000000 0.00000000 -0.97440603 5 0.11241267 0.00000000 0.53802794 0.05001028 0.00000000 6 -0.46683194 0.00000000 -0.05001028 0.53802794 0.00000000 7 0.00000000 0.43471473 0.00000000 0.00000000 -0.70512339 8 -0.40469657 0.00000000 -1.94624543 -0.18090563 0.00000000 9 1.68064047 0.00000000 0.18090563 -1.94624543 0.00000000 10 0.00000000 -1.55450673 0.00000000 0.00000000 2.58766536 11 0.22435452 0.00000000 1.17519373 0.10923554 0.00000000 12 -0.93170865 0.00000000 -0.10923554 1.17519373 0.00000000 13 0.00000000 0.90270157 0.00000000 0.00000000 -1.89604515 14 0.00000000 0.00359884 0.00000000 0.00000000 -0.00814077 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00007815 0.00000000 0.00119615 0.00011118 0.00000000 17 0.00000000 0.00359884 0.00000000 0.00000000 -0.00814077 18 -0.00032456 0.00000000 -0.00011118 0.00119615 0.00000000 19 0.00000000 0.00878981 0.00000000 0.00000000 -0.00418762 20 0.00000000 0.06227555 0.00000000 0.00000000 -0.06094831 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00026600 0.00000000 -0.00902934 -0.00083929 0.00000000 23 0.00000000 0.06227555 0.00000000 0.00000000 -0.06094831 24 -0.00110467 0.00000000 0.00083929 -0.00902934 0.00000000 25 0.00000000 0.01233691 0.00000000 0.00000000 -0.09750186 26 0.16414556 0.00000000 0.77841547 0.07235457 0.00000000 27 -0.30485227 0.00000000 -0.03235795 0.34811798 0.00000000 28 0.00000000 0.28030584 0.00000000 0.00000000 -0.44968531 29 0.07340813 0.00000000 0.34811798 0.03235795 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.07264118 0.00000000 0.35151349 0.03267356 0.00000000 32 -0.68167040 0.00000000 -0.07235457 0.77841547 0.00000000 33 0.00000000 0.28030584 0.00000000 0.00000000 -0.44968531 34 -0.30166725 0.00000000 -0.03267356 0.35151349 0.00000000 35 0.00000000 0.62030242 0.00000000 0.00000000 -1.02527152 36 0.00000000 -0.03656242 0.00000000 0.00000000 0.40790926 37 0.00000000 0.03980764 0.00000000 0.00000000 0.04564902 38 0.00000000 -0.55368023 0.00000000 0.00000000 -0.52770295 39 0.00000000 0.27495661 0.00000000 0.00000000 0.97440593 40 0.11241268 0.00000000 -0.53802790 -0.05001028 0.00000000 41 -0.46683197 0.00000000 0.05001028 -0.53802790 0.00000000 42 0.00000000 -0.43471471 0.00000000 0.00000000 -0.70512340 43 -0.40469659 0.00000000 1.94624529 0.18090562 0.00000000 44 1.68064056 0.00000000 -0.18090562 1.94624529 0.00000000 45 0.00000000 1.55450665 0.00000000 0.00000000 2.58766537 46 0.22435454 0.00000000 -1.17519366 -0.10923553 0.00000000 47 -0.93170871 0.00000000 0.10923553 -1.17519366 0.00000000 48 0.00000000 -0.90270155 0.00000000 0.00000000 -1.89604514 49 0.00000000 0.00359884 0.00000000 0.00000000 0.00814077 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00007815 0.00000000 0.00119615 0.00011118 0.00000000 52 0.00000000 0.00359884 0.00000000 0.00000000 0.00814077 53 0.00032456 0.00000000 -0.00011118 0.00119615 0.00000000 54 0.00000000 0.00878981 0.00000000 0.00000000 0.00418761 55 0.00000000 0.06227552 0.00000000 0.00000000 0.06094822 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00026600 0.00000000 -0.00902935 -0.00083929 0.00000000 58 0.00000000 0.06227552 0.00000000 0.00000000 0.06094822 59 0.00110467 0.00000000 0.00083929 -0.00902935 0.00000000 60 0.00000000 0.01233688 0.00000000 0.00000000 0.09750176 61 0.16414557 0.00000000 -0.77841542 -0.07235456 0.00000000 62 -0.30485229 0.00000000 0.03235794 -0.34811796 0.00000000 63 0.00000000 -0.28030583 0.00000000 0.00000000 -0.44968531 64 0.07340813 0.00000000 -0.34811796 -0.03235794 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.07264118 0.00000000 -0.35151347 -0.03267356 0.00000000 67 -0.68167044 0.00000000 0.07235456 -0.77841542 0.00000000 68 0.00000000 -0.28030583 0.00000000 0.00000000 -0.44968531 69 -0.30166726 0.00000000 0.03267356 -0.35151347 0.00000000 70 0.00000000 -0.62030239 0.00000000 0.00000000 -1.02527153 11 12 13 14 15 1 -2.07625287 1.94318894 0.07163580 0.00000000 0.00000000 2 -0.91043310 1.13240777 0.06126455 0.00000000 0.00000000 3 4.70447901 -5.34344201 -0.43182735 0.00000000 0.00000000 4 -0.37204842 0.64780719 0.09211583 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 1.54124260 -0.34911296 6 0.00000000 0.00000000 0.00000000 0.34911296 1.54124260 7 -0.00136878 -0.22272544 -1.35227462 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -5.83055247 1.32070151 9 0.00000000 0.00000000 0.00000000 -1.32070151 -5.83055247 10 0.01886873 0.85786522 5.08379053 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 1.06029607 -0.24017186 12 0.00000000 0.00000000 0.00000000 0.24017186 1.06029607 13 -0.11063562 -0.72751585 -1.00975730 0.00000000 0.00000000 14 -0.04543954 0.03797466 0.02496622 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.02558194 -0.00579467 17 -0.04543954 0.03797466 0.02496622 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00579467 0.02558194 19 -0.03394676 0.04510917 -0.03784397 0.00000000 0.00000000 20 -0.66032031 0.75442178 -0.04658594 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.17027681 0.03857007 23 -0.66032031 0.75442178 -0.04658594 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.03857007 -0.17027681 25 -0.74653734 0.71047330 0.51981960 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 2.28858263 -0.51839591 27 0.00000000 0.00000000 0.00000000 0.23183370 1.02348527 28 0.00293511 -0.13381496 -0.89232152 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 1.02348527 -0.23183370 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 1.00617387 -0.22791242 32 0.00000000 0.00000000 0.00000000 0.51839591 2.28858263 33 0.00293511 -0.13381496 -0.89232152 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.22791242 1.00617387 35 -0.01427621 -0.33165023 -1.95383201 0.00000000 0.00000000 36 -2.07625211 -1.94318991 0.07163584 0.00000000 0.00000000 37 -0.91043259 -1.13240816 0.06126456 0.00000000 0.00000000 38 4.70447666 5.34344406 -0.43182743 0.00000000 0.00000000 39 -0.37204821 -0.64780734 0.09211586 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 1.54124262 -0.34911296 41 0.00000000 0.00000000 0.00000000 0.34911296 1.54124262 42 0.00136896 -0.22272539 1.35227455 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -5.83055254 1.32070153 44 0.00000000 0.00000000 0.00000000 -1.32070153 -5.83055254 45 -0.01886943 0.85786506 -5.08379027 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 1.06029610 -0.24017186 47 0.00000000 0.00000000 0.00000000 0.24017186 1.06029610 48 0.11063618 -0.72751576 1.00975724 0.00000000 0.00000000 49 -0.04543953 -0.03797468 0.02496622 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.02558194 0.00579467 52 -0.04543953 -0.03797468 0.02496622 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.00579467 -0.02558194 54 -0.03394674 -0.04510919 -0.03784397 0.00000000 0.00000000 55 -0.66031998 -0.75442207 -0.04658593 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.17027683 -0.03857008 58 -0.66031998 -0.75442207 -0.04658593 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.03857008 0.17027683 60 -0.74653702 -0.71047361 0.51981964 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 2.28858265 -0.51839591 62 0.00000000 0.00000000 0.00000000 0.23183370 1.02348528 63 -0.00293500 -0.13381494 0.89232148 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 1.02348528 -0.23183370 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 1.00617387 -0.22791243 67 0.00000000 0.00000000 0.00000000 0.51839591 2.28858265 68 -0.00293500 -0.13381494 0.89232148 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.22791243 1.00617387 70 0.01427649 -0.33165016 1.95383190 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 -1.60160535 -0.06079722 0.03840244 0.21938579 0.00000000 6 -0.06079722 1.60160535 -0.21938579 0.03840244 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 6.10188595 0.23162866 -0.15067705 -0.86078907 0.00000000 9 0.23162866 -6.10188595 0.86078907 -0.15067705 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -1.27583119 -0.04843077 0.01444671 0.08253130 0.00000000 12 -0.04843077 1.27583119 -0.08253130 0.01444671 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.09155850 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00018413 16 -0.00969151 -0.00036789 -0.01741960 -0.09951481 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.09155850 18 -0.00036789 0.00969151 0.09951481 -0.01741960 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.65522524 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00131771 22 0.07512809 0.00285188 0.12090200 0.69068990 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.65522524 24 0.00285188 -0.07512809 -0.69068990 0.12090200 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -2.35487420 -0.08939144 0.05544431 0.31674270 0.00000000 27 -0.03997707 1.05313176 -0.14165164 0.02479545 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.00501928 29 -1.05313176 -0.03997707 0.02479545 0.14165164 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001009 31 -1.06513393 -0.04043267 0.02805264 0.16025936 0.00000000 32 -0.08939144 2.35487420 -0.31674270 0.05544431 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00501928 34 -0.04043267 1.06513393 -0.16025936 0.02805264 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 1.60160501 0.06079721 0.03840277 0.21938763 0.00000000 41 0.06079721 -1.60160501 -0.21938763 0.03840277 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -6.10188464 -0.23162861 -0.15067829 -0.86079612 0.00000000 44 -0.23162861 6.10188464 0.86079612 -0.15067829 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 1.27583106 0.04843077 0.01444697 0.08253279 0.00000000 47 0.04843077 -1.27583106 -0.08253279 0.01444697 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.09155851 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00018413 51 -0.00969163 -0.00036790 0.01741959 0.09951480 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.09155851 53 -0.00036790 0.00969163 -0.09951480 0.01741959 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 0.65522537 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00131771 57 0.07512891 0.00285191 -0.12090198 -0.69068982 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.65522537 59 0.00285191 -0.07512891 0.69068982 -0.12090198 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 2.35487370 0.08939142 0.05544479 0.31674541 0.00000000 62 0.03997706 -1.05313153 -0.14165286 0.02479566 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00501928 64 1.05313153 0.03997706 0.02479566 0.14165286 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00001009 66 1.06513368 0.04043266 0.02805286 0.16026060 0.00000000 67 0.08939142 -2.35487370 -0.31674541 0.05544479 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.00501928 69 0.04043266 -1.06513368 -0.16026060 0.02805286 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 -0.20972170 0.00000000 0.00000000 -0.02593401 2 0.00000000 0.04091073 0.00000000 0.00000000 0.01693561 3 0.00000000 0.22249412 0.00000000 0.00000000 0.50895827 4 0.00000000 -0.60795708 0.00000000 0.00000000 -0.15206812 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -1.69717307 0.00000000 0.00000000 -1.10458298 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 6.55562695 0.00000000 0.00000000 4.22758736 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 -1.91366455 0.00000000 0.00000000 -0.82423333 14 -0.00015946 -0.01087668 0.08849851 -0.00009724 -0.04173473 15 -0.10572265 0.00000000 0.00011228 0.10218928 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00015946 -0.01087668 -0.08849851 0.00009724 -0.04173473 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.00032479 0.00000000 0.00000000 0.06197104 20 0.00114117 -0.01898242 -0.66606885 0.00073186 0.18249903 21 0.75658893 0.00000000 -0.00084508 -0.76911006 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00114117 -0.01898242 0.66606885 -0.00073186 0.18249903 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.16903161 0.00000000 0.00000000 -0.67977623 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000874 -1.09861199 0.00378879 -0.00000416 -0.73261486 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00579577 0.00000000 0.00000481 0.00437491 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 33 -0.00000874 -1.09861199 -0.00378879 0.00000416 -0.73261486 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -2.51040716 0.00000000 0.00000000 -1.60936054 36 0.00000000 0.20972167 0.00000000 0.00000000 -0.02593399 37 0.00000000 -0.04091072 0.00000000 0.00000000 0.01693560 38 0.00000000 -0.22249404 0.00000000 0.00000000 0.50895821 39 0.00000000 0.60795707 0.00000000 0.00000000 -0.15206815 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 -1.69717299 0.00000000 0.00000000 1.10458306 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 6.55562666 0.00000000 0.00000000 -4.22758772 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 -1.91366451 0.00000000 0.00000000 0.82423345 49 -0.00015946 0.01087668 -0.08849849 0.00009724 -0.04173473 50 -0.10572266 0.00000000 -0.00011228 -0.10218926 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00015946 0.01087668 0.08849849 -0.00009724 -0.04173473 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00032479 0.00000000 0.00000000 0.06197104 55 0.00114117 0.01898241 0.66606871 -0.00073186 0.18249904 56 0.75658909 0.00000000 0.00084508 0.76910990 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00114117 0.01898241 -0.66606871 0.00073186 0.18249904 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.16903152 0.00000000 0.00000000 -0.67977620 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00000874 -1.09861193 0.00378878 -0.00000416 0.73261491 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 -0.00579577 0.00000000 0.00000481 0.00437491 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000874 -1.09861193 -0.00378878 0.00000416 0.73261491 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -2.51040704 0.00000000 0.00000000 1.60936068 26 27 28 29 30 1 0.00000000 0.00000000 1.29358222 0.81193681 -0.79630980 2 0.00000000 0.00000000 -0.14889882 0.51197404 0.27940858 3 0.00000000 0.00000000 -4.20742360 -4.07400843 2.90580963 4 0.00000000 0.00000000 0.25010145 0.21016598 -0.54780668 5 -0.34747261 -0.13538781 0.00000000 0.00000000 0.00000000 6 -0.13538781 0.34747261 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.13820504 -0.47369555 -0.41210399 8 1.31874188 0.51382922 0.00000000 0.00000000 0.00000000 9 0.51382922 -1.31874188 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.44964181 1.74898636 1.41111847 11 -0.42421242 -0.16528840 0.00000000 0.00000000 0.00000000 12 -0.16528840 0.42421242 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.02531205 -1.34212086 -0.63970076 14 0.00000000 0.00000000 0.08072880 0.00144940 -0.09316624 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.08973957 0.03496576 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.08072880 0.00144940 -0.09316624 18 0.03496576 -0.08973957 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.10176903 0.13480051 -0.02436855 20 0.00000000 0.00000000 1.39645751 1.40090057 -0.79242138 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.76756526 -0.29907100 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 1.39645751 1.40090057 -0.79242138 24 -0.29907100 0.76756526 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 1.20321815 -0.02866019 -1.55233148 26 -0.51965974 -0.20247811 0.00000000 0.00000000 0.00000000 27 -0.09055096 0.23239890 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.10778044 -0.32019821 -0.30142620 29 -0.23239890 -0.09055096 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.20104406 -0.07833399 0.00000000 0.00000000 0.00000000 32 -0.20247811 0.51965974 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.10778044 -0.32019821 -0.30142620 34 -0.07833399 0.20104406 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.16424154 -0.64319433 -0.54970373 36 0.00000000 0.00000000 1.29358295 -0.81193572 0.79630953 37 0.00000000 0.00000000 -0.14889842 -0.51197417 -0.27940852 38 0.00000000 0.00000000 -4.20742737 4.07400499 -2.90580896 39 0.00000000 0.00000000 0.25010173 -0.21016579 0.54780667 40 0.34747262 0.13538782 0.00000000 0.00000000 0.00000000 41 0.13538782 -0.34747262 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.13820538 -0.47369546 -0.41210404 43 -1.31874196 -0.51382925 0.00000000 0.00000000 0.00000000 44 -0.51382925 1.31874196 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -0.44964301 1.74898606 1.41111867 46 0.42421244 0.16528841 0.00000000 0.00000000 0.00000000 47 0.16528841 -0.42421244 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.02531303 -1.34212085 -0.63970079 49 0.00000000 0.00000000 0.08072882 -0.00144934 0.09316623 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.08973956 0.03496576 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.08072882 -0.00144934 0.09316623 53 0.03496576 -0.08973956 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.10176915 -0.13480042 0.02436854 55 0.00000000 0.00000000 1.39645878 -1.40089943 0.79242116 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.76756525 -0.29907100 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 1.39645878 -1.40089943 0.79242116 59 -0.29907100 0.76756525 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 1.20321837 0.02866117 1.55233130 61 0.51965977 0.20247812 0.00000000 0.00000000 0.00000000 62 0.09055097 -0.23239891 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.10778066 -0.32019813 -0.30142624 64 0.23239891 0.09055097 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.20104408 0.07833400 0.00000000 0.00000000 0.00000000 67 0.20247812 -0.51965977 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.10778066 -0.32019813 -0.30142624 69 0.07833400 -0.20104408 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.16424199 -0.64319423 -0.54970380 31 32 33 34 35 1 0.00000000 0.00000000 0.19586899 0.00000000 0.00000000 2 0.00000000 0.00000000 -0.06024360 0.00000000 0.00000000 3 0.00000000 0.00000000 -0.51208517 0.00000000 0.00000000 4 0.00000000 0.00000000 0.03056797 0.00000000 0.00000000 5 2.72285511 0.83243773 0.00000000 -3.00756949 -0.32235840 6 0.83243773 -2.72285511 0.00000000 -0.32235840 3.00756949 7 0.00000000 0.00000000 2.73545755 0.00000000 0.00000000 8 -8.46250856 -2.58717822 0.00000000 9.40695546 1.00825969 9 -2.58717822 8.46250856 0.00000000 1.00825969 -9.40695546 10 0.00000000 0.00000000 -8.43923881 0.00000000 0.00000000 11 0.81356735 0.24872574 0.00000000 -1.04881501 -0.11241447 12 0.24872574 -0.81356735 0.00000000 -0.11241447 1.04881501 13 0.00000000 0.00000000 0.87452230 0.00000000 0.00000000 14 0.00000000 0.00000000 0.02560576 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00422528 0.00129176 0.00000000 -0.00212510 -0.00022777 17 0.00000000 0.00000000 0.02560576 0.00000000 0.00000000 18 0.00129176 -0.00422528 0.00000000 -0.00022777 0.00212510 19 0.00000000 0.00000000 -0.00610859 0.00000000 0.00000000 20 0.00000000 0.00000000 0.05973400 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00707294 0.00216236 0.00000000 -0.02795649 -0.00299644 23 0.00000000 0.00000000 0.05973400 0.00000000 0.00000000 24 0.00216236 -0.00707294 0.00000000 -0.00299644 0.02795649 25 0.00000000 0.00000000 0.24155029 0.00000000 0.00000000 26 4.10498435 1.25498557 0.00000000 -4.46876518 -0.47897280 27 0.56124661 -1.83580481 0.00000000 -0.21420315 1.99849254 28 0.00000000 0.00000000 1.86357426 0.00000000 0.00000000 29 1.83580481 0.56124661 0.00000000 -1.99849254 -0.21420315 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 1.78267140 0.54500254 0.00000000 -2.03859720 -0.21850166 32 1.25498557 -4.10498435 0.00000000 -0.47897280 4.46876518 33 0.00000000 0.00000000 1.86357426 0.00000000 0.00000000 34 0.54500254 -1.78267140 0.00000000 -0.21850166 2.03859720 35 0.00000000 0.00000000 3.95479644 0.00000000 0.00000000 36 0.00000000 0.00000000 0.19586891 0.00000000 0.00000000 37 0.00000000 0.00000000 -0.06024357 0.00000000 0.00000000 38 0.00000000 0.00000000 -0.51208513 0.00000000 0.00000000 39 0.00000000 0.00000000 0.03056803 0.00000000 0.00000000 40 2.72285598 0.83243800 0.00000000 3.00756866 0.32235831 41 0.83243800 -2.72285598 0.00000000 0.32235831 -3.00756866 42 0.00000000 0.00000000 -2.73545780 0.00000000 0.00000000 43 -8.46251126 -2.58717904 0.00000000 -9.40695286 -1.00825941 44 -2.58717904 8.46251126 0.00000000 -1.00825941 9.40695286 45 0.00000000 0.00000000 8.43923959 0.00000000 0.00000000 46 0.81356766 0.24872584 0.00000000 1.04881477 0.11241444 47 0.24872584 -0.81356766 0.00000000 0.11241444 -1.04881477 48 0.00000000 0.00000000 -0.87452241 0.00000000 0.00000000 49 0.00000000 0.00000000 0.02560576 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00422529 -0.00129177 0.00000000 -0.00212511 -0.00022777 52 0.00000000 0.00000000 0.02560576 0.00000000 0.00000000 53 -0.00129177 0.00422529 0.00000000 -0.00022777 0.00212511 54 0.00000000 0.00000000 -0.00610858 0.00000000 0.00000000 55 0.00000000 0.00000000 0.05973400 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00707295 -0.00216236 0.00000000 -0.02795649 -0.00299644 58 0.00000000 0.00000000 0.05973400 0.00000000 0.00000000 59 -0.00216236 0.00707295 0.00000000 -0.00299644 0.02795649 60 0.00000000 0.00000000 0.24155028 0.00000000 0.00000000 61 4.10498562 1.25498596 0.00000000 4.46876391 0.47897266 62 0.56124678 -1.83580538 0.00000000 0.21420309 -1.99849197 63 0.00000000 0.00000000 -1.86357442 0.00000000 0.00000000 64 1.83580538 0.56124678 0.00000000 1.99849197 0.21420309 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.78267198 0.54500271 0.00000000 2.03859665 0.21850160 67 1.25498596 -4.10498562 0.00000000 0.47897266 -4.46876391 68 0.00000000 0.00000000 -1.86357442 0.00000000 0.00000000 69 0.54500271 -1.78267198 0.00000000 0.21850160 -2.03859665 70 0.00000000 0.00000000 -3.95479680 0.00000000 0.00000000 36 37 38 39 40 1 -0.07730452 0.00000000 0.00000000 0.66127809 0.00000000 2 0.10761273 0.00000000 0.00000000 -0.32398400 0.00000000 3 0.08791435 0.00000000 0.00000000 -0.07522966 0.00000000 4 0.39754207 0.00000000 0.00000000 -0.23467124 0.00000000 5 0.00000000 -0.14781020 0.13733502 0.00000000 0.00000000 6 0.00000000 0.13733502 0.14781020 0.00000000 0.00000000 7 3.41539515 0.00000000 0.00000000 0.79654550 0.00000000 8 0.00000000 0.42430743 -0.39423713 0.00000000 0.00000000 9 0.00000000 -0.39423713 -0.42430743 0.00000000 0.00000000 10 -10.88284174 0.00000000 0.00000000 -2.53101869 0.00000000 11 0.00000000 -0.03357239 0.03119314 0.00000000 0.00000000 12 0.00000000 0.03119314 0.03357239 0.00000000 0.00000000 13 1.45618209 0.00000000 0.00000000 0.33872895 0.00000000 14 -0.02420260 0.00000000 0.00000000 0.00889653 -0.00919094 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001226 16 0.00000000 0.02662404 -0.02473722 0.00000000 0.00000000 17 -0.02420260 0.00000000 0.00000000 0.00889653 0.00919094 18 0.00000000 -0.02473722 -0.02662404 0.00000000 0.00000000 19 0.02623439 0.00000000 0.00000000 0.00636507 0.00000000 20 -0.00315713 0.00000000 0.00000000 -0.08045210 -0.00626904 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000836 22 0.00000000 0.02196417 -0.02040759 0.00000000 0.00000000 23 -0.00315713 0.00000000 0.00000000 -0.08045210 0.00626904 24 0.00000000 -0.02040759 -0.02196417 0.00000000 0.00000000 25 -0.15917367 0.00000000 0.00000000 -0.09742375 0.00000000 26 0.00000000 0.11691072 -0.10862536 0.00000000 0.00000000 27 0.00000000 -0.04857874 -0.05228406 0.00000000 0.00000000 28 2.17558444 0.00000000 0.00000000 0.03743734 0.61130813 29 0.00000000 0.05228406 -0.04857874 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00081553 31 0.00000000 -0.64863661 0.60266828 0.00000000 0.00000000 32 0.00000000 -0.10862536 -0.11691072 0.00000000 0.00000000 33 2.17558444 0.00000000 0.00000000 0.03743734 -0.61130813 34 0.00000000 0.60266828 0.64863661 0.00000000 0.00000000 35 5.26231168 0.00000000 0.00000000 1.82086330 0.00000000 36 0.07730459 0.00000000 0.00000000 0.66127800 0.00000000 37 -0.10761275 0.00000000 0.00000000 -0.32398396 0.00000000 38 -0.08791439 0.00000000 0.00000000 -0.07522963 0.00000000 39 -0.39754208 0.00000000 0.00000000 -0.23467123 0.00000000 40 0.00000000 -0.14781018 0.13733500 0.00000000 0.00000000 41 0.00000000 0.13733500 0.14781018 0.00000000 0.00000000 42 3.41539498 0.00000000 0.00000000 -0.79654534 0.00000000 43 0.00000000 0.42430737 -0.39423706 0.00000000 0.00000000 44 0.00000000 -0.39423706 -0.42430737 0.00000000 0.00000000 45 -10.88284118 0.00000000 0.00000000 2.53101819 0.00000000 46 0.00000000 -0.03357238 0.03119314 0.00000000 0.00000000 47 0.00000000 0.03119314 0.03357238 0.00000000 0.00000000 48 1.45618204 0.00000000 0.00000000 -0.33872888 0.00000000 49 0.02420260 0.00000000 0.00000000 0.00889652 -0.00919092 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001226 51 0.00000000 -0.02662403 0.02473720 0.00000000 0.00000000 52 0.02420260 0.00000000 0.00000000 0.00889652 0.00919092 53 0.00000000 0.02473720 0.02662403 0.00000000 0.00000000 54 -0.02623440 0.00000000 0.00000000 0.00636509 0.00000000 55 0.00315712 0.00000000 0.00000000 -0.08045209 -0.00626904 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000836 57 0.00000000 -0.02196417 0.02040759 0.00000000 0.00000000 58 0.00315712 0.00000000 0.00000000 -0.08045209 0.00626904 59 0.00000000 0.02040759 0.02196417 0.00000000 0.00000000 60 0.15917367 0.00000000 0.00000000 -0.09742374 0.00000000 61 0.00000000 0.11691081 -0.10862544 0.00000000 0.00000000 62 0.00000000 -0.04857877 -0.05228410 0.00000000 0.00000000 63 2.17558430 0.00000000 0.00000000 -0.03743720 -0.61130870 64 0.00000000 0.05228410 -0.04857877 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00081553 66 0.00000000 -0.64863669 0.60266836 0.00000000 0.00000000 67 0.00000000 -0.10862544 -0.11691081 0.00000000 0.00000000 68 2.17558430 0.00000000 0.00000000 -0.03743720 0.61130870 69 0.00000000 0.60266836 0.64863669 0.00000000 0.00000000 70 5.26231141 0.00000000 0.00000000 -1.82086312 0.00000000 41 42 43 44 45 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00001062 0.00000000 0.00000000 0.00000000 0.00000000 15 -0.01061278 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00001062 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000724 0.00000000 0.00000000 0.00000000 0.00000000 21 -0.00723886 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000724 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.55575266 -0.05977636 0.44106730 0.34354829 27 0.00000000 -0.08019840 0.74562044 0.46091840 -0.59175388 28 -0.00070627 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.74562044 0.08019840 -0.59175388 -0.46091840 30 0.70587783 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.05977636 -0.55575266 -0.34354829 0.44106730 33 0.00070627 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00001062 0.00000000 0.00000000 0.00000000 0.00000000 50 -0.01061276 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00001062 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000724 0.00000000 0.00000000 0.00000000 0.00000000 56 -0.00723886 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00000724 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.55576068 -0.05977722 -0.44106094 -0.34354334 62 0.00000000 -0.08019956 0.74563119 -0.46091175 0.59174535 63 0.00070627 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.74563119 0.08019956 0.59174535 0.46091175 65 -0.70587849 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.05977722 -0.55576068 0.34354334 -0.44106094 68 -0.00070627 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00000000 1.54287227 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.46495644 3 0.00000000 0.00000000 0.00000000 0.00000000 -1.03475837 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.29868843 5 0.00000000 0.00000000 -0.06573254 -0.05787307 0.00000000 6 0.00000000 0.00000000 0.05787307 -0.06573254 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 1.09639130 8 0.00000000 0.00000000 0.14342753 0.12627826 0.00000000 9 0.00000000 0.00000000 -0.12627826 0.14342753 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -3.23635995 11 0.00000000 0.00000000 0.02352646 0.02071346 0.00000000 12 0.00000000 0.00000000 -0.02071346 0.02352646 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.31035311 14 -0.01181198 -0.00000822 0.00000000 0.00000000 0.12774041 15 -0.00000949 0.01363930 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.05686168 0.05006287 0.00000000 17 0.01181198 0.00000822 0.00000000 0.00000000 0.12774041 18 0.00000000 0.00000000 -0.05006287 0.05686168 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.17263438 20 -0.00380324 -0.00000265 0.00000000 0.00000000 0.08985225 21 -0.00000306 0.00439160 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.02554317 0.02248903 0.00000000 23 0.00380324 0.00000265 0.00000000 0.00000000 0.08985225 24 0.00000000 0.00000000 -0.02248903 0.02554317 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.06362284 26 0.00000000 0.00000000 -0.39870075 -0.35102910 0.00000000 27 0.00000000 0.00000000 0.15698499 -0.17830439 0.00000000 28 -0.61320629 -0.00042684 0.00000000 0.00000000 1.10127363 29 0.00000000 0.00000000 -0.17830439 -0.15698499 0.00000000 30 -0.00049287 0.70806963 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.54999490 0.48423340 0.00000000 32 0.00000000 0.00000000 0.35102910 -0.39870075 0.00000000 33 0.61320629 0.00042684 0.00000000 0.00000000 1.10127363 34 0.00000000 0.00000000 -0.48423340 0.54999490 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.79054559 36 0.00000000 0.00000000 0.00000000 0.00000000 -1.54287236 37 0.00000000 0.00000000 0.00000000 0.00000000 0.46495648 38 0.00000000 0.00000000 0.00000000 0.00000000 1.03475841 39 0.00000000 0.00000000 0.00000000 0.00000000 0.29868846 40 0.00000000 0.00000000 0.06573257 0.05787309 0.00000000 41 0.00000000 0.00000000 -0.05787309 0.06573257 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 1.09639137 43 0.00000000 0.00000000 -0.14342759 -0.12627832 0.00000000 44 0.00000000 0.00000000 0.12627832 -0.14342759 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -3.23636015 46 0.00000000 0.00000000 -0.02352646 -0.02071346 0.00000000 47 0.00000000 0.00000000 0.02071346 -0.02352646 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.31035314 49 0.01181200 0.00000822 0.00000000 0.00000000 -0.12774043 50 0.00000949 -0.01363932 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.05686170 0.05006289 0.00000000 52 -0.01181200 -0.00000822 0.00000000 0.00000000 -0.12774043 53 0.00000000 0.00000000 -0.05006289 0.05686170 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.17263441 55 0.00380324 0.00000265 0.00000000 0.00000000 -0.08985224 56 0.00000306 -0.00439160 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.02554316 0.02248903 0.00000000 58 -0.00380324 -0.00000265 0.00000000 0.00000000 -0.08985224 59 0.00000000 0.00000000 -0.02248903 0.02554316 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.06362282 61 0.00000000 0.00000000 0.39870072 0.35102908 0.00000000 62 0.00000000 0.00000000 -0.15698498 0.17830438 0.00000000 63 -0.61320572 -0.00042684 0.00000000 0.00000000 1.10127363 64 0.00000000 0.00000000 0.17830438 0.15698498 0.00000000 65 -0.00049287 0.70806898 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.54999479 -0.48423330 0.00000000 67 0.00000000 0.00000000 -0.35102908 0.39870072 0.00000000 68 0.61320572 0.00042684 0.00000000 0.00000000 1.10127363 69 0.00000000 0.00000000 0.48423330 -0.54999479 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.79054572 51 52 53 54 55 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.01264144 0.00153610 0.00000000 0.00000000 0.00000000 6 0.00153610 -0.01264144 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.01215967 -0.00147756 0.00000000 0.00000000 0.00000000 9 -0.00147756 0.01215967 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.02756526 -0.00334954 0.00000000 0.00000000 0.00000000 12 -0.00334954 0.02756526 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.00426495 -0.74664393 -0.02191173 15 0.00000000 0.00000000 -0.86215015 0.00492474 -0.86817202 16 -0.84514914 -0.10269664 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.00426495 0.74664393 0.02191173 18 -0.10269664 0.84514914 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00203490 0.35623921 0.01091318 21 0.00000000 0.00000000 0.41134961 -0.00234969 0.43239476 22 0.37660905 0.04576291 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 -0.00203490 -0.35623921 -0.01091318 24 0.04576291 -0.37660905 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.04066195 0.00494096 0.00000000 0.00000000 0.00000000 27 0.00220966 -0.01818458 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.00006723 -0.01176913 0.00040401 29 0.01818458 0.00220966 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 -0.01358983 0.00007763 0.01600750 31 -0.05204583 -0.00632425 0.00000000 0.00000000 0.00000000 32 0.00494096 -0.04066195 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 0.00006723 0.01176913 -0.00040401 34 -0.00632425 0.05204583 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.01264150 0.00153611 0.00000000 0.00000000 0.00000000 41 0.00153611 -0.01264150 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.01215990 -0.00147759 0.00000000 0.00000000 0.00000000 44 -0.00147759 0.01215990 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.02756520 -0.00334953 0.00000000 0.00000000 0.00000000 47 -0.00334953 0.02756520 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.00426496 -0.74664524 0.02191169 50 0.00000000 0.00000000 -0.86215166 0.00492475 0.86817052 51 0.84514940 0.10269668 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.00426496 0.74664524 -0.02191169 53 0.10269668 -0.84514940 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00203490 0.35623987 -0.01091316 56 0.00000000 0.00000000 0.41135037 -0.00234970 -0.43239405 57 -0.37660921 -0.04576293 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -0.00203490 -0.35623987 0.01091316 59 -0.04576293 0.37660921 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.04066203 0.00494097 0.00000000 0.00000000 0.00000000 62 0.00220967 -0.01818461 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.00006723 0.01176910 0.00040401 64 0.01818461 0.00220967 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.01358979 -0.00007763 0.01600752 66 -0.05204573 -0.00632424 0.00000000 0.00000000 0.00000000 67 0.00494097 -0.04066203 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.00006723 -0.01176910 -0.00040401 69 -0.00632424 0.05204573 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 -0.16169397 0.00000000 0.00000000 -2.42072748 2 0.00000000 0.00326559 0.00000000 0.00000000 0.26616038 3 0.00000000 0.06207936 0.00000000 0.00000000 2.53323645 4 0.00000000 0.01911062 0.00000000 0.00000000 0.63296366 5 0.00000000 0.00000000 0.07541788 0.06269517 0.00000000 6 0.00000000 0.00000000 0.06269517 -0.07541788 0.00000000 7 0.00000000 -0.33162673 0.00000000 0.00000000 0.00875292 8 0.00000000 0.00000000 -0.28303188 -0.23528548 0.00000000 9 0.00000000 0.00000000 -0.23528548 0.28303188 0.00000000 10 0.00000000 1.25562403 0.00000000 0.00000000 -0.79179098 11 0.00000000 0.00000000 0.10938781 0.09093451 0.00000000 12 0.00000000 0.00000000 0.09093451 -0.10938781 0.00000000 13 0.00000000 -0.17025212 0.00000000 0.00000000 0.73952334 14 0.75185902 -0.40568346 0.00000000 0.00000000 0.51340116 15 -0.02530149 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.68352853 -0.56821988 0.00000000 17 -0.75185902 -0.40568346 0.00000000 0.00000000 0.51340116 18 0.00000000 0.00000000 -0.56821988 0.68352853 0.00000000 19 0.00000000 0.89565257 0.00000000 0.00000000 -0.84949388 20 -0.37446485 0.24757092 0.00000000 0.00000000 -0.66732921 21 0.01260146 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.39975788 0.33232026 0.00000000 23 0.37446485 0.24757092 0.00000000 0.00000000 -0.66732921 24 0.00000000 0.00000000 0.33232026 -0.39975788 0.00000000 25 0.00000000 -0.37478535 0.00000000 0.00000000 0.57197824 26 0.00000000 0.00000000 0.06739263 0.05602375 0.00000000 27 0.00000000 0.00000000 0.02505458 -0.03013890 0.00000000 28 -0.01386290 -0.26099619 0.00000000 0.00000000 0.02776968 29 0.00000000 0.00000000 0.03013890 0.02505458 0.00000000 30 0.00046651 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.13028196 0.10830389 0.00000000 32 0.00000000 0.00000000 0.05602375 -0.06739263 0.00000000 33 0.01386290 -0.26099619 0.00000000 0.00000000 0.02776968 34 0.00000000 0.00000000 0.10830389 -0.13028196 0.00000000 35 0.00000000 -0.54741423 0.00000000 0.00000000 0.61531870 36 0.00000000 -0.16169372 0.00000000 0.00000000 2.42072818 37 0.00000000 0.00326555 0.00000000 0.00000000 -0.26616053 38 0.00000000 0.06207908 0.00000000 0.00000000 -2.53323692 39 0.00000000 0.01911055 0.00000000 0.00000000 -0.63296384 40 0.00000000 0.00000000 -0.07541791 -0.06269519 0.00000000 41 0.00000000 0.00000000 -0.06269519 0.07541791 0.00000000 42 0.00000000 0.33162674 0.00000000 0.00000000 0.00875296 43 0.00000000 0.00000000 0.28303198 0.23528557 0.00000000 44 0.00000000 0.00000000 0.23528557 -0.28303198 0.00000000 45 0.00000000 -1.25562416 0.00000000 0.00000000 -0.79179122 46 0.00000000 0.00000000 -0.10938783 -0.09093452 0.00000000 47 0.00000000 0.00000000 -0.09093452 0.10938783 0.00000000 48 0.00000000 0.17025222 0.00000000 0.00000000 0.73952335 49 -0.75185772 -0.40568351 0.00000000 0.00000000 -0.51340114 50 0.02530144 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.68352834 -0.56821972 0.00000000 52 0.75185772 -0.40568351 0.00000000 0.00000000 -0.51340114 53 0.00000000 0.00000000 -0.56821972 0.68352834 0.00000000 54 0.00000000 0.89565267 0.00000000 0.00000000 0.84949375 55 0.37446423 0.24757100 0.00000000 0.00000000 0.66732923 56 -0.01260143 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.39975780 0.33232019 0.00000000 58 -0.37446423 0.24757100 0.00000000 0.00000000 0.66732923 59 0.00000000 0.00000000 0.33232019 -0.39975780 0.00000000 60 0.00000000 -0.37478543 0.00000000 0.00000000 -0.57197815 61 0.00000000 0.00000000 -0.06739268 -0.05602379 0.00000000 62 0.00000000 0.00000000 -0.02505460 0.03013892 0.00000000 63 -0.01386292 0.26099619 0.00000000 0.00000000 0.02776973 64 0.00000000 0.00000000 -0.03013892 -0.02505460 0.00000000 65 0.00046651 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.13028200 -0.10830392 0.00000000 67 0.00000000 0.00000000 -0.05602379 0.06739268 0.00000000 68 0.01386292 0.26099619 0.00000000 0.00000000 0.02776973 69 0.00000000 0.00000000 -0.10830392 0.13028200 0.00000000 70 0.00000000 0.54741435 0.00000000 0.00000000 0.61531885 61 62 63 64 65 1 10.48129351 7.31996644 0.00000000 0.00000000 0.00000000 2 -2.35999925 -1.51579484 0.00000000 0.00000000 0.00000000 3 -6.89781056 -5.02206109 0.00000000 -0.00000000 0.00000000 4 -2.81075052 -1.74629536 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 -0.85487594 -0.35683037 -1.05101161 6 0.00000000 0.00000000 -0.35683037 0.85487594 -0.13228356 7 0.03672982 0.84804824 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 5.77998354 2.41260001 6.67182282 9 0.00000000 0.00000000 2.41260001 -5.77998354 0.83973616 10 -0.14153712 -5.03117585 0.00000000 -0.00000000 0.00000000 11 0.00000000 0.00000000 -0.40596910 -0.16945395 -0.53838002 12 0.00000000 0.00000000 -0.16945395 0.40596910 -0.06776217 13 0.02166598 0.43675276 0.00000000 0.00000000 0.00000000 14 -0.44120044 -0.32363717 0.00000000 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00842217 0.00351547 -0.00103965 17 -0.44120044 -0.32363717 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00351547 -0.00842217 -0.00013085 19 -0.37032378 -0.32287114 0.00000000 0.00000000 0.00000000 20 0.70524835 0.51613142 0.00000000 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.00468427 -0.00195524 -0.00416067 23 0.70524835 0.51613142 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 -0.00195524 0.00468427 -0.00052368 25 0.64630118 0.46186428 0.00000000 0.00000000 0.00000000 26 0.00000000 0.00000000 -3.24546946 -1.35467854 -3.71790034 27 0.00000000 0.00000000 -0.60583066 1.45141807 -0.20927198 28 0.06575797 1.24487382 0.00000000 0.00000000 0.00000000 29 0.00000000 0.00000000 -1.45141807 -0.60583066 -1.66269558 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -1.47519258 -0.61575428 -1.63758070 32 0.00000000 0.00000000 -1.35467854 3.24546946 -0.46794638 33 0.06575797 1.24487382 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 -0.61575428 1.47519258 -0.20611095 35 0.03948983 2.71298527 0.00000000 0.00000000 0.00000000 36 10.48130691 -7.31994982 0.00000000 -0.00000000 0.00000000 37 -2.36000205 1.51579111 0.00000000 0.00000000 0.00000000 38 -6.89781962 5.02205017 0.00000000 0.00000000 0.00000000 39 -2.81075379 1.74629089 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 -0.85487826 -0.35683134 1.05100948 41 0.00000000 0.00000000 -0.35683134 0.85487826 0.13228329 42 -0.03673077 0.84804849 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 5.77999820 2.41260613 -6.67180830 44 0.00000000 0.00000000 2.41260613 -5.77999820 -0.83973433 45 0.14154316 -5.03117748 0.00000000 -0.00000000 0.00000000 46 0.00000000 0.00000000 -0.40597028 -0.16945444 0.53837900 47 0.00000000 0.00000000 -0.16945444 0.40597028 0.06776204 48 -0.02166658 0.43675287 0.00000000 0.00000000 0.00000000 49 -0.44120098 0.32363647 0.00000000 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.00842216 -0.00351546 -0.00103967 52 -0.44120098 0.32363647 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 -0.00351546 0.00842216 -0.00013086 54 -0.37032454 0.32287054 0.00000000 0.00000000 0.00000000 55 0.70524921 -0.51613030 0.00000000 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00468428 0.00195525 -0.00416066 58 0.70524921 -0.51613030 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00195525 -0.00468428 -0.00052367 60 0.64630220 -0.46186327 0.00000000 0.00000000 0.00000000 61 0.00000000 0.00000000 -3.24547763 -1.35468195 3.71789218 62 0.00000000 0.00000000 -0.60583218 1.45142172 0.20927153 63 -0.06575943 1.24487417 0.00000000 0.00000000 0.00000000 64 0.00000000 0.00000000 -1.45142172 -0.60583218 1.66269193 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -1.47519618 -0.61575579 1.63757699 67 0.00000000 -0.00000000 -1.35468195 3.24547763 0.46794536 68 -0.06575943 1.24487417 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 -0.61575579 1.47519618 0.20611048 70 -0.03949318 2.71298626 0.00000000 0.00000000 0.00000000 66 67 68 69 70 1 0.00000000 0.48304478 -6.20206299 54.32384491 55.51643205 2 0.00000000 -0.23529626 1.33188914 -26.35655973 -26.76427103 3 0.00000000 -0.38723191 3.93497043 -31.88010550 -33.06484913 4 0.00000000 -0.11237717 1.74577002 -15.37064034 -15.43397325 5 -0.13228356 0.00000000 0.00000000 0.00000000 0.00000000 6 1.05101161 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 1.03781478 1.32493824 0.01408534 -0.32252019 8 0.83973616 0.00000000 0.00000000 0.00000000 0.00000000 9 -6.67182282 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 -6.66342670 -6.60647658 0.04221618 1.09572822 11 -0.06776217 0.00000000 0.00000000 0.00000000 0.00000000 12 0.53838002 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.50867130 0.46116296 0.03438786 -0.17552790 14 0.00000000 0.02683428 0.19876345 3.52399640 3.57007808 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00013085 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 0.02683428 0.19876345 3.52399640 3.57007808 18 0.00103965 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.05004881 0.60940689 3.53839320 3.51596064 20 0.00000000 0.03393417 -0.25345004 3.28549133 3.38676703 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00052368 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.03393417 -0.25345004 3.28549133 3.38676703 24 0.00416067 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.08303651 -0.76740240 3.21323228 3.52619847 26 -0.46794638 0.00000000 0.00000000 0.00000000 0.00000000 27 1.66269558 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 1.62761678 1.70447774 0.02275777 -0.28624269 29 -0.20927198 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.20611095 0.00000000 0.00000000 0.00000000 0.00000000 32 3.71790034 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 1.62761678 1.70447774 0.02275777 -0.28624269 34 1.63758070 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 3.76881054 3.30699423 -0.08754753 -0.42468476 36 0.00000000 0.48303215 6.20206061 54.32385457 -55.51642260 37 0.00000000 -0.23529353 -1.33188884 -26.35656439 26.76426644 38 0.00000000 -0.38722383 -3.93496901 -31.88011126 33.06484358 39 0.00000000 -0.11237370 -1.74576935 -15.37064303 15.43397058 40 0.13228329 0.00000000 0.00000000 0.00000000 0.00000000 41 -1.05100948 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 -1.03781689 1.32493647 -0.01408529 -0.32252019 43 -0.83973433 0.00000000 0.00000000 0.00000000 0.00000000 44 6.67180830 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 6.66343690 -6.60646513 -0.04221635 1.09572820 46 0.06776204 0.00000000 0.00000000 0.00000000 0.00000000 47 -0.53837900 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 -0.50867196 0.46116209 -0.03438783 -0.17552791 49 0.00000000 0.02683469 -0.19876326 3.52399702 -3.57007747 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00013086 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 0.02683469 -0.19876326 3.52399702 -3.57007747 53 0.00103967 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.05004998 -0.60940668 3.53839381 -3.51596002 55 0.00000000 0.03393361 0.25344989 3.28549192 -3.38676646 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00052367 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.03393361 0.25344989 3.28549192 -3.38676646 59 0.00416066 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.08303502 0.76740235 3.21323289 -3.52619791 61 0.46794536 0.00000000 0.00000000 0.00000000 0.00000000 62 -1.66269193 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 -1.62761943 1.70447495 -0.02275773 -0.28624269 64 0.20927153 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.20611048 0.00000000 0.00000000 0.00000000 0.00000000 67 -3.71789218 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 -1.62761943 1.70447495 -0.02275773 -0.28624269 69 -1.63757699 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -3.76881557 3.30698773 0.08754759 -0.42468474 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.51177590 0.53377836 0.04537731 0.12557653 0.00000000 2 0.00068726 0.04046931 0.25099875 -0.28422371 0.00000000 3 -0.45898150 -0.71340958 -2.10982450 2.14691735 0.00000000 4 0.42804485 1.11773240 1.16188330 -1.83139532 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.39868254 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.34165911 7 -0.00606070 0.02773062 -0.09834715 -0.08979950 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 1.44909811 9 0.00000000 0.00000000 0.00000000 0.00000000 1.24183410 10 0.02553929 -0.10686353 0.35138196 0.32844284 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.75397118 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.64613094 13 0.00008688 0.04690799 -0.17305086 -0.16791426 0.00000000 14 0.00550111 0.00712868 0.01888720 -0.01554441 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00035744 17 0.00550111 0.00712868 0.01888720 -0.01554441 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00030632 19 0.00479200 0.00751886 0.01469961 -0.01707465 0.00000000 20 0.04280835 0.07383369 0.22230663 -0.22769999 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00009090 23 0.04280835 0.07383369 0.22230663 -0.22769999 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00007789 25 0.04919814 0.07045947 0.25341572 -0.22126365 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.58371915 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.22370966 28 -0.00452963 0.01937140 -0.06452062 -0.06049191 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.26104714 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.25816813 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.50023000 33 -0.00452963 0.01937140 -0.06452062 -0.06049191 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.22124243 35 -0.00878837 0.04149034 -0.13701406 -0.13027455 0.00000000 36 0.51177600 -0.53377847 0.04537728 -0.12557662 0.00000000 37 0.00068725 -0.04046929 0.25099883 0.28422352 0.00000000 38 -0.45898133 0.71340929 -2.10982542 -2.14691614 0.00000000 39 0.42804459 -1.11773213 1.16188436 1.83139483 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.39868246 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.34165905 42 0.00606069 0.02773071 0.09834710 -0.08979956 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 1.44909781 44 0.00000000 0.00000000 0.00000000 0.00000000 1.24183385 45 -0.02553928 -0.10686382 -0.35138178 0.32844307 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -0.75397105 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.64613083 48 -0.00008693 0.04690814 0.17305083 -0.16791431 0.00000000 49 0.00550111 -0.00712867 0.01888721 0.01554440 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00035744 52 0.00550111 -0.00712867 0.01888721 0.01554440 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00030632 54 0.00479199 -0.00751886 0.01469962 0.01707465 0.00000000 55 0.04280833 -0.07383367 0.22230673 0.22769986 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00009088 58 0.04280833 -0.07383367 0.22230673 0.22769986 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00007788 60 0.04919812 -0.07045942 0.25341582 0.22126351 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -0.58371903 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.22370961 63 0.00452963 0.01937145 0.06452059 -0.06049195 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.26104709 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.25816807 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.50022990 68 0.00452963 0.01937145 0.06452059 -0.06049195 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.22124238 70 0.00878836 0.04149045 0.13701399 -0.13027464 0.00000000 6 7 8 9 10 1 0.00000000 0.02507979 0.00000000 0.00000000 -0.31263147 2 0.00000000 0.08937445 0.00000000 0.00000000 0.04414458 3 0.00000000 -0.81598360 0.00000000 0.00000000 0.08114400 4 0.00000000 0.31438491 0.00000000 0.00000000 -0.84057457 5 0.34165911 0.00000000 0.58285507 0.09169194 0.00000000 6 -0.39868254 0.00000000 0.09169194 -0.58285507 0.00000000 7 0.00000000 0.49323134 0.00000000 0.00000000 -0.76326494 8 -1.24183410 0.00000000 -2.12836408 -0.33482394 0.00000000 9 1.44909811 0.00000000 -0.33482394 2.12836408 0.00000000 10 0.00000000 -1.78878715 0.00000000 0.00000000 2.82296796 11 0.64613094 0.00000000 1.21106572 0.19051900 0.00000000 12 -0.75397118 0.00000000 0.19051900 -1.21106572 0.00000000 13 0.00000000 0.95309038 0.00000000 0.00000000 -1.99566449 14 0.00000000 0.00538540 0.00000000 0.00000000 -0.00578927 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00030632 0.00000000 0.00111323 0.00017513 0.00000000 17 0.00000000 0.00538540 0.00000000 0.00000000 -0.00578927 18 -0.00035744 0.00000000 0.00017513 -0.00111323 0.00000000 19 0.00000000 0.01109569 0.00000000 0.00000000 -0.00087922 20 0.00000000 0.09528926 0.00000000 0.00000000 -0.00553403 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00007789 0.00000000 -0.00721731 -0.00113539 0.00000000 23 0.00000000 0.09528926 0.00000000 0.00000000 -0.00553403 24 0.00009090 0.00000000 -0.00113539 0.00721731 0.00000000 25 0.00000000 0.03880735 0.00000000 0.00000000 -0.05526802 26 0.50023000 0.00000000 0.84540562 0.13299512 0.00000000 27 -0.26104714 0.00000000 0.05947723 -0.37807689 0.00000000 28 0.00000000 0.31927529 0.00000000 0.00000000 -0.48709921 29 0.22370966 0.00000000 0.37807689 0.05947723 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.22124243 0.00000000 0.38180588 0.06006385 0.00000000 32 -0.58371915 0.00000000 0.13299512 -0.84540562 0.00000000 33 0.00000000 0.31927529 0.00000000 0.00000000 -0.48709921 34 -0.25816813 0.00000000 0.06006385 -0.38180588 0.00000000 35 0.00000000 0.70693698 0.00000000 0.00000000 -1.11240574 36 0.00000000 0.02507963 0.00000000 0.00000000 0.31263142 37 0.00000000 0.08937444 0.00000000 0.00000000 -0.04414456 38 0.00000000 -0.81598355 0.00000000 0.00000000 -0.08114418 39 0.00000000 0.31438476 0.00000000 0.00000000 0.84057467 40 0.34165905 0.00000000 -0.58285510 -0.09169195 0.00000000 41 -0.39868246 0.00000000 -0.09169195 0.58285510 0.00000000 42 0.00000000 -0.49323119 0.00000000 0.00000000 -0.76326497 43 -1.24183385 0.00000000 2.12836419 0.33482396 0.00000000 44 1.44909781 0.00000000 0.33482396 -2.12836419 0.00000000 45 0.00000000 1.78878660 0.00000000 0.00000000 2.82296808 46 0.64613083 0.00000000 -1.21106581 -0.19051902 0.00000000 47 -0.75397105 0.00000000 -0.19051902 1.21106581 0.00000000 48 0.00000000 -0.95309004 0.00000000 0.00000000 -1.99566460 49 0.00000000 0.00538540 0.00000000 0.00000000 0.00578927 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00030632 0.00000000 0.00111322 0.00017513 0.00000000 52 0.00000000 0.00538540 0.00000000 0.00000000 0.00578927 53 0.00035744 0.00000000 0.00017513 -0.00111322 0.00000000 54 0.00000000 0.01109569 0.00000000 0.00000000 0.00087922 55 0.00000000 0.09528925 0.00000000 0.00000000 0.00553403 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00007788 0.00000000 -0.00721729 -0.00113539 0.00000000 58 0.00000000 0.09528925 0.00000000 0.00000000 0.00553403 59 -0.00009088 0.00000000 -0.00113539 0.00721729 0.00000000 60 0.00000000 0.03880736 0.00000000 0.00000000 0.05526805 61 0.50022990 0.00000000 -0.84540567 -0.13299513 0.00000000 62 -0.26104709 0.00000000 -0.05947723 0.37807691 0.00000000 63 0.00000000 -0.31927520 0.00000000 0.00000000 -0.48709924 64 0.22370961 0.00000000 -0.37807691 -0.05947723 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.22124238 0.00000000 -0.38180590 -0.06006386 0.00000000 67 -0.58371903 0.00000000 -0.13299513 0.84540567 0.00000000 68 0.00000000 -0.31927520 0.00000000 0.00000000 -0.48709924 69 -0.25816807 0.00000000 -0.06006386 0.38180590 0.00000000 70 0.00000000 -0.70693676 0.00000000 0.00000000 -1.11240579 11 12 13 14 15 1 -2.13989234 -2.03334977 0.01805457 0.00000000 0.00000000 2 -0.89386268 -1.12235486 -0.02749300 0.00000000 0.00000000 3 4.65438605 5.32394507 0.25736256 0.00000000 0.00000000 4 -0.29024541 -0.59410819 -0.08735966 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 1.51644269 0.29173653 6 0.00000000 0.00000000 0.00000000 0.29173653 -1.51644269 7 0.05684137 0.18388329 1.35182550 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -5.70241050 -1.09704210 9 0.00000000 0.00000000 0.00000000 -1.09704210 5.70241050 10 -0.19768344 -0.71617935 -5.06396896 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 1.01839853 0.19592172 12 0.00000000 0.00000000 0.00000000 0.19592172 -1.01839853 13 -0.04825784 0.62600943 0.97611767 0.00000000 0.00000000 14 -0.04849170 -0.03997701 -0.02331109 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.04271405 0.00821742 17 -0.04849170 -0.03997701 -0.02331109 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00821742 -0.04271405 19 -0.03396919 -0.04723579 0.04062678 0.00000000 0.00000000 20 -0.68129027 -0.78264374 0.07701239 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.28432613 -0.05469928 23 -0.68129027 -0.78264374 0.07701239 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.05469928 0.28432613 25 -0.79395936 -0.73282285 -0.48678605 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 2.25103138 0.43305830 27 0.00000000 0.00000000 0.00000000 0.19366956 -1.00669184 28 0.04130289 0.10885882 0.89097231 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 1.00669184 0.19366956 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.98624992 0.18973690 32 0.00000000 0.00000000 0.00000000 0.43305830 -2.25103138 33 0.04130289 0.10885882 0.89097231 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.18973690 -0.98624992 35 0.06927142 0.27530047 1.95275891 0.00000000 0.00000000 36 -2.13989480 2.03334715 0.01805471 0.00000000 0.00000000 37 -0.89386406 1.12235377 -0.02749296 0.00000000 0.00000000 38 4.65439255 -5.32393938 0.25736235 0.00000000 0.00000000 39 -0.29024618 0.59410786 -0.08735963 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 1.51644387 0.29173676 41 0.00000000 0.00000000 0.00000000 0.29173676 -1.51644387 42 -0.05684163 0.18388327 -1.35182557 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -5.70241502 -1.09704297 44 0.00000000 0.00000000 0.00000000 -1.09704297 5.70241502 45 0.19768448 -0.71617931 5.06396924 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 1.01839948 0.19592190 47 0.00000000 0.00000000 0.00000000 0.19592190 -1.01839948 48 0.04825703 0.62600953 -0.97611779 0.00000000 0.00000000 49 -0.04849175 0.03997695 -0.02331109 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.04271406 -0.00821742 52 -0.04849175 0.03997695 -0.02331109 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.00821742 0.04271406 54 -0.03396925 0.04723575 0.04062678 0.00000000 0.00000000 55 -0.68129119 0.78264288 0.07701242 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.28432625 0.05469930 58 -0.68129119 0.78264288 0.07701242 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.05469930 -0.28432625 60 -0.79396022 0.73282185 -0.48678606 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 2.25103312 0.43305863 62 0.00000000 0.00000000 0.00000000 0.19366971 -1.00669261 63 -0.04130304 0.10885880 -0.89097235 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 1.00669261 0.19366971 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.98625071 0.18973705 67 0.00000000 0.00000000 0.00000000 0.43305863 -2.25103312 68 -0.04130304 0.10885880 -0.89097235 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.18973705 -0.98625071 70 -0.06927181 0.27530046 -1.95275900 0.00000000 0.00000000 16 17 18 19 20 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.48591885 0.09587827 1.62423055 0.04365595 0.00000000 6 0.09587827 -0.48591885 0.04365595 -1.62423055 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -1.85517032 -0.36604985 -6.15578727 -0.16545479 0.00000000 9 -0.36604985 1.85517032 -0.16545479 6.15578727 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.25221369 0.04976513 1.24512631 0.03346641 0.00000000 12 0.04976513 -0.25221369 0.03346641 -1.24512631 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 0.09362444 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00004120 16 -0.09548927 -0.01884131 0.01002700 0.00026951 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 -0.09362444 18 -0.01884131 0.09548927 0.00026951 -0.01002700 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 -0.65620721 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00028875 22 0.65058861 0.12836981 -0.07580440 -0.00203747 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.65620721 24 0.12836981 -0.65058861 -0.00203747 0.07580440 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.71162572 0.14041325 2.38563963 0.06412104 0.00000000 27 0.06279471 -0.31824870 0.02867580 -1.06689048 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 -0.00511587 29 0.31824870 0.06279471 1.06689048 0.02867580 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000225 31 0.33351843 0.06580764 1.07916547 0.02900573 0.00000000 32 0.14041325 -0.71162572 0.06412104 -2.38563963 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 0.00511587 34 0.06580764 -0.33351843 0.02900573 -1.07916547 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.48591665 0.09587784 -1.62422996 -0.04365593 0.00000000 41 0.09587784 -0.48591665 -0.04365593 1.62422996 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -1.85516199 -0.36604821 6.15578514 0.16545473 0.00000000 44 -0.36604821 1.85516199 0.16545473 -6.15578514 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.25221199 0.04976479 -1.24512586 -0.03346640 0.00000000 47 0.04976479 -0.25221199 -0.03346640 1.24512586 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 0.09362445 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00004120 51 0.09548928 0.01884131 0.01002683 0.00026950 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 -0.09362445 53 0.01884131 -0.09548928 0.00026950 -0.01002683 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 -0.65620737 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00028875 57 -0.65058870 -0.12836983 -0.07580328 -0.00203743 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.65620737 59 -0.12836983 0.65058870 -0.00203743 0.07580328 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.71162248 0.14041261 -2.38563874 -0.06412102 0.00000000 62 0.06279443 -0.31824725 -0.02867579 1.06689008 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 0.00511588 64 0.31824725 0.06279443 -1.06689008 -0.02867579 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000225 66 0.33351698 0.06580735 -1.07916512 -0.02900572 0.00000000 67 0.14041261 -0.71162248 -0.06412102 2.38563874 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -0.00511588 69 0.06580735 -0.33351698 -0.02900572 1.07916512 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 -0.20797982 0.00000000 0.00000000 -0.00306972 2 0.00000000 0.04571244 0.00000000 0.00000000 -0.02859718 3 0.00000000 0.22402093 0.00000000 0.00000000 -0.41637773 4 0.00000000 -0.58930013 0.00000000 0.00000000 0.14379517 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -1.72353128 0.00000000 0.00000000 1.13463634 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 6.62146613 0.00000000 0.00000000 -4.31763359 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 -1.87648348 0.00000000 0.00000000 0.82263875 14 0.00003568 -0.01154854 -0.09062289 -0.00028154 0.04125264 15 0.10810819 0.00000000 0.00032509 -0.10464230 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00003568 -0.01154854 0.09062289 0.00028154 0.04125264 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00012431 0.00000000 0.00000000 -0.06580696 20 -0.00025006 -0.01863404 0.66712327 0.00207257 -0.20620509 21 -0.75772282 0.00000000 -0.00239319 0.77032760 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00025006 -0.01863404 -0.66712327 -0.00207257 -0.20620509 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.18058467 0.00000000 0.00000000 0.65889758 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -0.00000195 -1.11464478 -0.00365588 -0.00001136 0.75175545 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 -0.00590730 0.00000000 0.00001311 -0.00422144 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000195 -1.11464478 0.00365588 0.00001136 0.75175545 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -2.54613541 0.00000000 0.00000000 1.65100719 36 0.00000000 0.20797994 0.00000000 0.00000000 -0.00306964 37 0.00000000 -0.04571240 0.00000000 0.00000000 -0.02859713 38 0.00000000 -0.22402102 0.00000000 0.00000000 -0.41637789 39 0.00000000 0.58930010 0.00000000 0.00000000 0.14379522 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 -1.72353100 0.00000000 0.00000000 -1.13463646 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 6.62146513 0.00000000 0.00000000 4.31763411 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 -1.87648333 0.00000000 0.00000000 -0.82263886 49 0.00003568 0.01154854 0.09062286 0.00028154 0.04125264 50 0.10810821 0.00000000 -0.00032509 0.10464227 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00003568 0.01154854 -0.09062286 -0.00028154 0.04125264 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.00012432 0.00000000 0.00000000 -0.06580695 55 -0.00025006 0.01863407 -0.66712311 -0.00207256 -0.20620506 56 -0.75772300 0.00000000 0.00239319 -0.77032741 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00025006 0.01863407 0.66712311 0.00207256 -0.20620506 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.18058463 0.00000000 0.00000000 0.65889757 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000195 -1.11464460 -0.00365587 -0.00001136 -0.75175553 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00590731 0.00000000 0.00001311 -0.00422143 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 68 -0.00000195 -1.11464460 0.00365587 0.00001136 -0.75175553 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -2.54613501 0.00000000 0.00000000 -1.65100739 26 27 28 29 30 1 0.00000000 0.00000000 0.71752080 1.29159102 -0.88444271 2 0.00000000 0.00000000 0.51357562 -0.20000123 0.26757045 3 0.00000000 0.00000000 -3.68510643 -4.13076609 3.26030823 4 0.00000000 0.00000000 0.14439482 0.23449975 -0.54128682 5 -0.36640210 -0.09850138 0.00000000 0.00000000 0.00000000 6 -0.09850138 0.36640210 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.49698420 -0.12746230 -0.34395752 8 1.38577140 0.37254261 0.00000000 0.00000000 0.00000000 9 0.37254261 -1.38577140 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 1.82412826 0.40986203 1.16051895 11 -0.43746237 -0.11760480 0.00000000 0.00000000 0.00000000 12 -0.11760480 0.43746237 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -1.38018451 -0.01978726 -0.47850587 14 0.00000000 0.00000000 -0.01097418 0.07840189 -0.09093348 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.09550054 0.02567380 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.01097418 0.07840189 -0.09093348 18 0.02567380 -0.09550054 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.13282297 0.09904482 -0.03526147 20 0.00000000 0.00000000 1.29940735 1.37866582 -0.92586516 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.79697220 -0.21425331 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 1.29940735 1.37866582 -0.92586516 24 -0.21425331 0.79697220 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 -0.20555582 1.19442322 -1.52747637 26 -0.54745085 -0.14717346 0.00000000 0.00000000 0.00000000 27 -0.06581797 0.24482746 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.33925672 -0.10084566 -0.25663937 29 -0.24482746 -0.06581797 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.21259153 -0.05715185 0.00000000 0.00000000 0.00000000 32 -0.14717346 0.54745085 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.33925672 -0.10084566 -0.25663937 34 -0.05715185 0.21259153 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.67238437 -0.14896204 -0.45641038 36 0.00000000 0.00000000 -0.71753111 1.29158572 0.88444191 37 0.00000000 0.00000000 -0.51357405 -0.20000541 -0.26757027 38 0.00000000 0.00000000 3.68513949 -4.13073846 -3.26030600 39 0.00000000 0.00000000 -0.14439671 0.23449893 0.54128673 40 0.36640219 0.09850140 0.00000000 0.00000000 0.00000000 41 0.09850140 -0.36640219 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 -0.49698532 0.12745821 -0.34395763 43 -1.38577178 -0.37254272 0.00000000 0.00000000 0.00000000 44 -0.37254272 1.38577178 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 1.82413191 -0.40984697 1.16051936 46 0.43746242 0.11760482 0.00000000 0.00000000 0.00000000 47 0.11760482 -0.43746242 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 -1.38018472 0.01977597 -0.47850591 49 0.00000000 0.00000000 0.01097354 0.07840203 0.09093344 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.09550054 0.02567380 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.01097354 0.07840203 0.09093344 53 0.02567380 -0.09550054 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 -0.13282376 0.09904378 0.03526143 55 0.00000000 0.00000000 -1.29941839 1.37865595 0.92586442 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.79697219 -0.21425330 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 -1.29941839 1.37865595 0.92586442 59 -0.21425330 0.79697219 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.20554626 1.19442572 1.52747573 61 0.54745099 0.14717350 0.00000000 0.00000000 0.00000000 62 0.06581799 -0.24482753 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.33925759 0.10084285 -0.25663946 64 0.24482753 0.06581799 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.21259160 0.05715187 0.00000000 0.00000000 0.00000000 67 0.14717350 -0.54745099 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 -0.33925759 0.10084285 -0.25663946 69 0.05715187 -0.21259160 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 -0.67238572 0.14895650 -0.45641053 31 32 33 34 35 1 0.00000000 0.00000000 -0.20242938 0.00000000 0.00000000 2 0.00000000 0.00000000 0.06403191 0.00000000 0.00000000 3 0.00000000 0.00000000 0.51274629 0.00000000 0.00000000 4 0.00000000 0.00000000 -0.02775291 0.00000000 0.00000000 5 -2.71025297 0.81040272 0.00000000 2.99101462 0.31606125 6 -0.81040272 -2.71025297 0.00000000 0.31606125 -2.99101462 7 0.00000000 0.00000000 -2.71794273 0.00000000 0.00000000 8 8.42554476 -2.51935317 0.00000000 -9.35803637 -0.98886601 9 2.51935317 8.42554476 0.00000000 -0.98886601 9.35803637 10 0.00000000 0.00000000 8.38691437 0.00000000 0.00000000 11 -0.80526107 0.24078408 0.00000000 1.03735555 0.10961762 12 -0.24078408 -0.80526107 0.00000000 0.10961762 -1.03735555 13 0.00000000 0.00000000 -0.86370136 0.00000000 0.00000000 14 0.00000000 0.00000000 -0.02557731 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00421781 0.00126118 0.00000000 0.00228120 0.00024105 17 0.00000000 0.00000000 -0.02557731 0.00000000 0.00000000 18 -0.00126118 -0.00421781 0.00000000 0.00024105 -0.00228120 19 0.00000000 0.00000000 0.00634498 0.00000000 0.00000000 20 0.00000000 0.00000000 -0.06092648 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00701992 0.00209905 0.00000000 0.02712025 0.00286580 23 0.00000000 0.00000000 -0.06092648 0.00000000 0.00000000 24 -0.00209905 -0.00701992 0.00000000 0.00286580 -0.02712025 25 0.00000000 0.00000000 -0.23953547 0.00000000 0.00000000 26 -4.09761749 1.22524370 0.00000000 4.45595055 0.47086139 27 -0.54794564 -1.83251025 0.00000000 0.21057562 -1.99276167 28 0.00000000 0.00000000 -1.85716809 0.00000000 0.00000000 29 -1.83251025 0.54794564 0.00000000 1.99276167 0.21057562 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.77927512 0.53202761 0.00000000 2.03329564 0.21485885 32 -1.22524370 -4.09761749 0.00000000 0.47086139 -4.45595055 33 0.00000000 0.00000000 -1.85716809 0.00000000 0.00000000 34 -0.53202761 -1.77927512 0.00000000 0.21485885 -2.03329564 35 0.00000000 0.00000000 -3.94061783 0.00000000 0.00000000 36 0.00000000 0.00000000 -0.20242927 0.00000000 0.00000000 37 0.00000000 0.00000000 0.06403187 0.00000000 0.00000000 38 0.00000000 0.00000000 0.51274625 0.00000000 0.00000000 39 0.00000000 0.00000000 -0.02775302 0.00000000 0.00000000 40 -2.71025458 0.81040320 0.00000000 -2.99101310 -0.31606109 41 -0.81040320 -2.71025458 0.00000000 -0.31606109 2.99101310 42 0.00000000 0.00000000 2.71794337 0.00000000 0.00000000 43 8.42554976 -2.51935466 0.00000000 9.35803163 0.98886551 44 2.51935466 8.42554976 0.00000000 0.98886551 -9.35803163 45 0.00000000 0.00000000 -8.38691640 0.00000000 0.00000000 46 -0.80526164 0.24078425 0.00000000 -1.03735510 -0.10961757 47 -0.24078425 -0.80526164 0.00000000 -0.10961757 1.03735510 48 0.00000000 0.00000000 0.86370163 0.00000000 0.00000000 49 0.00000000 0.00000000 -0.02557730 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00421782 -0.00126119 0.00000000 0.00228121 0.00024106 52 0.00000000 0.00000000 -0.02557730 0.00000000 0.00000000 53 0.00126119 0.00421782 0.00000000 0.00024106 -0.00228121 54 0.00000000 0.00000000 0.00634495 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.06092650 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00701993 -0.00209906 0.00000000 0.02712024 0.00286580 58 0.00000000 0.00000000 -0.06092650 0.00000000 0.00000000 59 0.00209906 0.00701993 0.00000000 0.00286580 -0.02712024 60 0.00000000 0.00000000 -0.23953544 0.00000000 0.00000000 61 -4.09761985 1.22524440 0.00000000 -4.45594822 -0.47086115 62 -0.54794595 -1.83251130 0.00000000 -0.21057551 1.99276062 63 0.00000000 0.00000000 1.85716849 0.00000000 0.00000000 64 -1.83251130 0.54794595 0.00000000 -1.99276062 -0.21057551 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -1.77927619 0.53202793 0.00000000 -2.03329463 -0.21485874 67 -1.22524440 -4.09761985 0.00000000 -0.47086115 4.45594822 68 0.00000000 0.00000000 1.85716849 0.00000000 0.00000000 69 -0.53202793 -1.77927619 0.00000000 -0.21485874 2.03329463 70 0.00000000 0.00000000 3.94061878 0.00000000 0.00000000 36 37 38 39 40 1 0.08367694 0.00000000 0.00000000 0.65166566 0.00000000 2 -0.10920777 0.00000000 0.00000000 -0.32069246 0.00000000 3 -0.09484370 0.00000000 0.00000000 -0.06832292 0.00000000 4 -0.39431171 0.00000000 0.00000000 -0.23220158 0.00000000 5 0.00000000 -0.12797209 -0.15670999 0.00000000 0.00000000 6 0.00000000 0.15670999 -0.12797209 0.00000000 0.00000000 7 -3.40111619 0.00000000 0.00000000 0.79597661 0.00000000 8 0.00000000 0.36821334 0.45090070 0.00000000 0.00000000 9 0.00000000 -0.45090070 0.36821334 0.00000000 0.00000000 10 10.84118682 0.00000000 0.00000000 -2.53094267 0.00000000 11 0.00000000 -0.02909013 -0.03562272 0.00000000 0.00000000 12 0.00000000 0.03562272 -0.02909013 0.00000000 0.00000000 13 -1.44263819 0.00000000 0.00000000 0.33754441 0.00000000 14 0.02426552 0.00000000 0.00000000 0.00923266 -0.00884449 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00003077 16 0.00000000 0.02238271 0.02740906 0.00000000 0.00000000 17 0.02426552 0.00000000 0.00000000 0.00923266 0.00884449 18 0.00000000 -0.02740906 0.02238271 0.00000000 0.00000000 19 -0.02674473 0.00000000 0.00000000 0.00690140 0.00000000 20 0.00451316 0.00000000 0.00000000 -0.08148895 -0.00656274 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002283 22 0.00000000 0.01930814 0.02364405 0.00000000 0.00000000 23 0.00451316 0.00000000 0.00000000 -0.08148895 0.00656274 24 0.00000000 -0.02364405 0.01930814 0.00000000 0.00000000 25 0.16107029 0.00000000 0.00000000 -0.09862605 0.00000000 26 0.00000000 0.09968845 0.12207486 0.00000000 0.00000000 27 0.00000000 -0.05459354 0.04458203 0.00000000 0.00000000 28 -2.17107889 0.00000000 0.00000000 0.03819118 0.61130974 29 0.00000000 0.04458203 0.05459354 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00212682 31 0.00000000 -0.56063516 -0.68653348 0.00000000 0.00000000 32 0.00000000 -0.12207486 0.09968845 0.00000000 0.00000000 33 -2.17107889 0.00000000 0.00000000 0.03819118 -0.61130974 34 0.00000000 0.68653348 -0.56063516 0.00000000 0.00000000 35 -5.25297517 0.00000000 0.00000000 1.82274753 0.00000000 36 -0.08367704 0.00000000 0.00000000 0.65166556 0.00000000 37 0.10920778 0.00000000 0.00000000 -0.32069242 0.00000000 38 0.09484377 0.00000000 0.00000000 -0.06832290 0.00000000 39 0.39431173 0.00000000 0.00000000 -0.23220157 0.00000000 40 0.00000000 -0.12797207 -0.15670995 0.00000000 0.00000000 41 0.00000000 0.15670995 -0.12797207 0.00000000 0.00000000 42 -3.40111573 0.00000000 0.00000000 -0.79597641 0.00000000 43 0.00000000 0.36821326 0.45090061 0.00000000 0.00000000 44 0.00000000 -0.45090061 0.36821326 0.00000000 0.00000000 45 10.84118536 0.00000000 0.00000000 2.53094201 0.00000000 46 0.00000000 -0.02909013 -0.03562272 0.00000000 0.00000000 47 0.00000000 0.03562272 -0.02909013 0.00000000 0.00000000 48 -1.44263805 0.00000000 0.00000000 -0.33754432 0.00000000 49 -0.02426553 0.00000000 0.00000000 0.00923264 -0.00884446 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00003077 51 0.00000000 -0.02238270 -0.02740904 0.00000000 0.00000000 52 -0.02426553 0.00000000 0.00000000 0.00923264 0.00884446 53 0.00000000 0.02740904 -0.02238270 0.00000000 0.00000000 54 0.02674475 0.00000000 0.00000000 0.00690143 0.00000000 55 -0.00451314 0.00000000 0.00000000 -0.08148893 -0.00656275 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002283 57 0.00000000 -0.01930814 -0.02364405 0.00000000 0.00000000 58 -0.00451314 0.00000000 0.00000000 -0.08148893 0.00656275 59 0.00000000 0.02364405 -0.01930814 0.00000000 0.00000000 60 -0.16107032 0.00000000 0.00000000 -0.09862605 0.00000000 61 0.00000000 0.09968855 0.12207498 0.00000000 0.00000000 62 0.00000000 -0.05459359 0.04458208 0.00000000 0.00000000 63 -2.17107855 0.00000000 0.00000000 -0.03819099 -0.61131043 64 0.00000000 0.04458208 0.05459359 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00212682 66 0.00000000 -0.56063525 -0.68653359 0.00000000 0.00000000 67 0.00000000 -0.12207498 0.09968855 0.00000000 0.00000000 68 -2.17107855 0.00000000 0.00000000 -0.03819099 0.61131043 69 0.00000000 0.68653359 -0.56063525 0.00000000 0.00000000 70 -5.25297448 0.00000000 0.00000000 -1.82274728 0.00000000 41 42 43 44 45 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00002665 0.00000000 0.00000000 0.00000000 0.00000000 15 -0.01021273 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00002665 0.00000000 0.00000000 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00001977 0.00000000 0.00000000 0.00000000 0.00000000 21 -0.00757800 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00001977 0.00000000 0.00000000 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.00000000 -0.52893757 0.18071640 -0.31859896 -0.45941415 27 0.00000000 -0.24245649 -0.70964422 -0.61636876 0.42744535 28 -0.00184188 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 0.70964422 -0.24245649 0.42744535 0.61636876 30 0.70587968 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 0.18071640 0.52893757 0.45941415 -0.31859896 33 0.00184188 0.00000000 0.00000000 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00002665 0.00000000 0.00000000 0.00000000 0.00000000 50 -0.01021270 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00002665 0.00000000 0.00000000 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00001977 0.00000000 0.00000000 0.00000000 0.00000000 56 -0.00757801 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00001977 0.00000000 0.00000000 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.00000000 -0.52894666 0.18071950 0.31859348 0.45940625 62 0.00000000 -0.24246066 -0.70965642 0.61635817 -0.42743801 63 0.00184188 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 0.70965642 -0.24246066 -0.42743801 -0.61635817 65 -0.70588048 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 0.18071950 0.52894666 -0.45940625 0.31859348 68 -0.00184188 0.00000000 0.00000000 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 47 48 49 50 1 0.00000000 0.00000000 0.00000000 0.00000000 -1.52952735 2 0.00000000 0.00000000 0.00000000 0.00000000 0.46053188 3 0.00000000 0.00000000 0.00000000 0.00000000 1.02388558 4 0.00000000 0.00000000 0.00000000 0.00000000 0.29597894 5 0.00000000 0.00000000 0.08928189 -0.00761395 0.00000000 6 0.00000000 0.00000000 0.00761395 0.08928189 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -1.10354500 8 0.00000000 0.00000000 -0.19791326 0.01687803 0.00000000 9 0.00000000 0.00000000 -0.01687803 -0.19791326 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 3.26476560 11 0.00000000 0.00000000 -0.03051477 0.00260230 0.00000000 12 0.00000000 0.00000000 -0.00260230 -0.03051477 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.31039990 14 0.01174247 -0.00000782 0.00000000 0.00000000 -0.12729916 15 0.00000903 0.01355903 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.07440405 0.00634517 0.00000000 17 -0.01174247 0.00000782 0.00000000 0.00000000 -0.12729916 18 0.00000000 0.00000000 -0.00634517 -0.07440405 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.16981927 20 0.00374266 -0.00000249 0.00000000 0.00000000 -0.08898961 21 0.00000288 0.00432165 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.03466494 0.00295622 0.00000000 23 -0.00374266 0.00000249 0.00000000 0.00000000 -0.08898961 24 0.00000000 0.00000000 -0.00295622 -0.03466494 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.06968185 26 0.00000000 0.00000000 0.53333496 -0.04548276 0.00000000 27 0.00000000 0.00000000 0.02034051 0.23851464 0.00000000 28 0.61320846 -0.00040837 0.00000000 0.00000000 -1.10881123 29 0.00000000 0.00000000 0.23851464 -0.02034051 0.00000000 30 0.00047154 0.70807214 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.72846111 0.06212311 0.00000000 32 0.00000000 0.00000000 0.04548276 0.53333496 0.00000000 33 -0.61320846 0.00040837 0.00000000 0.00000000 -1.10881123 34 0.00000000 0.00000000 -0.06212311 -0.72846111 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -0.80592531 36 0.00000000 0.00000000 0.00000000 0.00000000 1.52952747 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.46053192 38 0.00000000 0.00000000 0.00000000 0.00000000 -1.02388564 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.29597898 40 0.00000000 0.00000000 -0.08928193 0.00761396 0.00000000 41 0.00000000 0.00000000 -0.00761396 -0.08928193 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -1.10354509 43 0.00000000 0.00000000 0.19791337 -0.01687804 0.00000000 44 0.00000000 0.00000000 0.01687804 0.19791337 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 3.26476584 46 0.00000000 0.00000000 0.03051476 -0.00260230 0.00000000 47 0.00000000 0.00000000 0.00260230 0.03051476 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.31039994 49 -0.01174249 0.00000782 0.00000000 0.00000000 0.12729918 50 -0.00000903 -0.01355906 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.07440409 0.00634517 0.00000000 52 0.01174249 -0.00000782 0.00000000 0.00000000 0.12729918 53 0.00000000 0.00000000 -0.00634517 -0.07440409 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.16981931 55 -0.00374265 0.00000249 0.00000000 0.00000000 0.08898960 56 -0.00000288 -0.00432164 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.03466492 0.00295622 0.00000000 58 0.00374265 -0.00000249 0.00000000 0.00000000 0.08898960 59 0.00000000 0.00000000 -0.00295622 -0.03466492 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.06968182 61 0.00000000 0.00000000 -0.53333492 0.04548276 0.00000000 62 0.00000000 0.00000000 -0.02034051 -0.23851463 0.00000000 63 0.61320777 -0.00040837 0.00000000 0.00000000 -1.10881122 64 0.00000000 0.00000000 -0.23851463 0.02034051 0.00000000 65 0.00047154 0.70807135 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.72846092 -0.06212309 0.00000000 67 0.00000000 0.00000000 -0.04548276 -0.53333492 0.00000000 68 -0.61320777 0.00040837 0.00000000 0.00000000 -1.10881122 69 0.00000000 0.00000000 0.06212309 0.72846092 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -0.80592547 51 52 53 54 55 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 -0.01326182 -0.00029215 0.00000000 0.00000000 0.00000000 6 -0.00029215 0.01326182 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.01460251 0.00032168 0.00000000 0.00000000 0.00000000 9 0.00032168 -0.01460251 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.02743820 0.00060444 0.00000000 0.00000000 0.00000000 12 0.00060444 -0.02743820 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.01273236 -0.74629531 -0.00991541 15 0.00000000 0.00000000 -0.86174759 -0.01470206 0.86817440 16 0.85092529 0.01874508 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.01273236 0.74629531 0.00991541 18 0.01874508 -0.85092529 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 -0.00604595 0.35437773 0.00491518 21 0.00000000 0.00000000 0.40920015 0.00698126 -0.43036401 22 -0.37736414 -0.00831297 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00604595 -0.35437773 -0.00491518 24 -0.00831297 0.37736414 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.04177566 -0.00092028 0.00000000 0.00000000 0.00000000 27 -0.00041156 0.01868264 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00019644 -0.01151396 0.00018213 29 -0.01868264 -0.00041156 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 -0.01329518 -0.00022683 -0.01594672 31 0.05104193 0.00112441 0.00000000 0.00000000 0.00000000 32 -0.00092028 0.04177566 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.00019644 0.01151396 -0.00018213 34 0.00112441 -0.05104193 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 40 -0.01326190 -0.00029215 0.00000000 0.00000000 0.00000000 41 -0.00029215 0.01326190 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.01460282 0.00032169 0.00000000 0.00000000 0.00000000 44 0.00032169 -0.01460282 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.02743813 0.00060444 0.00000000 0.00000000 0.00000000 47 0.00060444 -0.02743813 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.01273238 -0.74629695 0.00991539 50 0.00000000 0.00000000 -0.86174949 -0.01470209 -0.86817252 51 -0.85092562 -0.01874509 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.01273238 0.74629695 -0.00991539 53 -0.01874509 0.85092562 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.00604596 0.35437855 -0.00491517 56 0.00000000 0.00000000 0.40920110 0.00698128 0.43036312 57 0.37736434 0.00831298 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.00604596 -0.35437855 0.00491517 59 0.00831298 -0.37736434 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.04177577 -0.00092028 0.00000000 0.00000000 0.00000000 62 -0.00041156 0.01868269 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.00019644 0.01151392 0.00018213 64 -0.01868269 -0.00041156 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.01329513 0.00022682 -0.01594675 66 0.05104180 0.00112440 0.00000000 0.00000000 0.00000000 67 -0.00092028 0.04177577 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.00019644 -0.01151392 -0.00018213 69 0.00112440 -0.05104180 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 56 57 58 59 60 1 0.00000000 0.14963252 0.00000000 0.00000000 -2.35106922 2 0.00000000 -0.00021131 0.00000000 0.00000000 0.25206234 3 0.00000000 -0.05345412 0.00000000 0.00000000 2.47901121 4 0.00000000 -0.01619324 0.00000000 0.00000000 0.61539270 5 0.00000000 0.00000000 -0.07721377 0.06000117 0.00000000 6 0.00000000 0.00000000 -0.06000117 -0.07721377 0.00000000 7 0.00000000 0.32921287 0.00000000 0.00000000 0.00167829 8 0.00000000 0.00000000 0.29002477 -0.22537206 0.00000000 9 0.00000000 0.00000000 0.22537206 0.29002477 0.00000000 10 0.00000000 -1.24851945 0.00000000 0.00000000 -0.76450362 11 0.00000000 0.00000000 -0.11170153 0.08680088 0.00000000 12 0.00000000 0.00000000 -0.08680088 -0.11170153 0.00000000 13 0.00000000 0.16912964 0.00000000 0.00000000 0.73441105 14 -0.75186109 0.40599863 0.00000000 0.00000000 0.51106821 15 -0.01144933 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.70171260 -0.54528588 0.00000000 17 0.75186109 0.40599863 0.00000000 0.00000000 0.51106821 18 0.00000000 0.00000000 0.54528588 0.70171260 0.00000000 19 0.00000000 -0.89504777 0.00000000 0.00000000 -0.85418471 20 0.37270617 -0.24751718 0.00000000 0.00000000 -0.65983160 21 0.00567556 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.40854777 0.31747375 0.00000000 23 -0.37270617 -0.24751718 0.00000000 0.00000000 -0.65983160 24 0.00000000 0.00000000 -0.31747375 -0.40854777 0.00000000 25 0.00000000 0.37195328 0.00000000 0.00000000 0.57760314 26 0.00000000 0.00000000 -0.06955899 0.05405281 0.00000000 27 0.00000000 0.00000000 -0.02417315 -0.03110773 0.00000000 28 0.01381026 0.25953482 0.00000000 0.00000000 0.02160781 29 0.00000000 0.00000000 -0.03110773 0.02417315 0.00000000 30 0.00021030 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.13309505 0.10342532 0.00000000 32 0.00000000 0.00000000 -0.05405281 -0.06955899 0.00000000 33 -0.01381026 0.25953482 0.00000000 0.00000000 0.02160781 34 0.00000000 0.00000000 -0.10342532 -0.13309505 0.00000000 35 0.00000000 0.54478830 0.00000000 0.00000000 0.60192444 36 0.00000000 0.14963221 0.00000000 0.00000000 2.35107008 37 0.00000000 -0.00021127 0.00000000 0.00000000 -0.25206252 38 0.00000000 -0.05345377 0.00000000 0.00000000 -2.47901178 39 0.00000000 -0.01619316 0.00000000 0.00000000 -0.61539293 40 0.00000000 0.00000000 0.07721380 -0.06000120 0.00000000 41 0.00000000 0.00000000 0.06000120 0.07721380 0.00000000 42 0.00000000 -0.32921288 0.00000000 0.00000000 0.00167834 43 0.00000000 0.00000000 -0.29002492 0.22537217 0.00000000 44 0.00000000 0.00000000 -0.22537217 -0.29002492 0.00000000 45 0.00000000 1.24851964 0.00000000 0.00000000 -0.76450397 46 0.00000000 0.00000000 0.11170155 -0.08680089 0.00000000 47 0.00000000 0.00000000 0.08680089 0.11170155 0.00000000 48 0.00000000 -0.16912976 0.00000000 0.00000000 0.73441107 49 0.75185945 0.40599869 0.00000000 0.00000000 -0.51106818 50 0.01144930 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.70171235 -0.54528569 0.00000000 52 -0.75185945 0.40599869 0.00000000 0.00000000 -0.51106818 53 0.00000000 0.00000000 0.54528569 0.70171235 0.00000000 54 0.00000000 -0.89504790 0.00000000 0.00000000 0.85418455 55 -0.37270540 -0.24751728 0.00000000 0.00000000 0.65983163 56 -0.00567555 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.40854766 0.31747367 0.00000000 58 0.37270540 -0.24751728 0.00000000 0.00000000 0.65983163 59 0.00000000 0.00000000 -0.31747367 -0.40854766 0.00000000 60 0.00000000 0.37195339 0.00000000 0.00000000 -0.57760304 61 0.00000000 0.00000000 0.06955906 -0.05405286 0.00000000 62 0.00000000 0.00000000 0.02417317 0.03110776 0.00000000 63 0.01381029 -0.25953483 0.00000000 0.00000000 0.02160789 64 0.00000000 0.00000000 0.03110776 -0.02417317 0.00000000 65 0.00021030 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.13309511 -0.10342536 0.00000000 67 0.00000000 0.00000000 0.05405286 0.06955906 0.00000000 68 -0.01381029 -0.25953483 0.00000000 0.00000000 0.02160789 69 0.00000000 0.00000000 0.10342536 0.13309511 0.00000000 70 0.00000000 -0.54478847 0.00000000 0.00000000 0.60192466 61 62 63 64 65 1 10.47103740 0.00000000 0.00000000 -7.09905446 0.00000000 2 -2.35277505 0.00000000 -0.00000000 1.46374901 0.00000000 3 -6.87610888 -0.00000000 -0.00000000 4.87346623 0.00000000 4 -2.81050686 0.00000000 -0.00000000 1.68791161 0.00000000 5 0.00000000 -0.84256875 0.35274576 0.00000000 1.03690461 6 0.00000000 -0.35274576 -0.84256875 0.00000000 0.13321562 7 0.03705865 0.00000000 0.00000000 -0.88281995 0.00000000 8 0.00000000 5.74195752 -2.40390021 0.00000000 -6.62839659 9 0.00000000 2.40390021 5.74195752 0.00000000 -0.85157876 10 -0.14414545 -0.00000000 -0.00000000 5.22228973 0.00000000 11 0.00000000 -0.40275329 0.16861475 0.00000000 0.53410708 12 0.00000000 -0.16861475 -0.40275329 0.00000000 0.06861905 13 0.02181708 0.00000000 0.00000000 -0.44600840 0.00000000 14 -0.44178044 0.00000000 0.00000000 0.31939321 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00823365 -0.00344706 0.00000000 0.00122573 17 -0.44178044 0.00000000 0.00000000 0.31939321 0.00000000 18 0.00000000 0.00344706 0.00823365 0.00000000 0.00015748 19 -0.37238185 0.00000000 0.00000000 0.29888926 0.00000000 20 0.69763742 0.00000000 0.00000000 -0.50412717 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00458809 0.00192083 0.00000000 0.00398255 23 0.69763742 0.00000000 0.00000000 -0.50412717 0.00000000 24 0.00000000 -0.00192083 -0.00458809 0.00000000 0.00051166 25 0.63975829 0.00000000 0.00000000 -0.42733661 0.00000000 26 0.00000000 -3.22618659 1.35065970 0.00000000 3.69600337 27 0.00000000 -0.60403338 -1.44279450 -0.00000000 0.21235559 28 0.06593597 0.00000000 0.00000000 -1.29613046 0.00000000 29 0.00000000 -1.44279450 0.60403338 0.00000000 1.65290296 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -1.46635970 0.61389907 0.00000000 1.62799675 32 0.00000000 -1.35065970 -3.22618659 -0.00000000 0.47484153 33 0.06593597 0.00000000 0.00000000 -1.29613046 0.00000000 34 0.00000000 -0.61389907 -1.46635970 -0.00000000 0.20915578 35 0.04143562 0.00000000 0.00000000 -2.80807100 0.00000000 36 10.47105711 -0.00000000 -0.00000000 7.09902949 0.00000000 37 -2.35277916 0.00000000 0.00000000 -1.46374342 0.00000000 38 -6.87612223 0.00000000 0.00000000 -4.87344988 0.00000000 39 -2.81051166 0.00000000 0.00000000 -1.68790490 0.00000000 40 0.00000000 -0.84257171 0.35274700 0.00000000 -1.03690189 41 0.00000000 -0.35274700 -0.84257171 0.00000000 -0.13321527 42 -0.03706019 0.00000000 0.00000000 -0.88282028 0.00000000 43 0.00000000 5.74197635 -2.40390809 0.00000000 6.62837795 44 0.00000000 2.40390809 5.74197635 0.00000000 0.85157637 45 0.14415516 -0.00000000 -0.00000000 5.22229194 0.00000000 46 0.00000000 -0.40275481 0.16861538 0.00000000 -0.53410577 47 0.00000000 -0.16861538 -0.40275481 0.00000000 -0.06861888 48 -0.02181801 0.00000000 0.00000000 -0.44600855 0.00000000 49 -0.44178126 0.00000000 0.00000000 -0.31939216 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00823363 0.00344705 0.00000000 0.00122577 52 -0.44178126 0.00000000 0.00000000 -0.31939216 0.00000000 53 0.00000000 -0.00344705 -0.00823363 0.00000000 0.00015748 54 -0.37238292 0.00000000 0.00000000 -0.29888834 0.00000000 55 0.69763870 0.00000000 0.00000000 0.50412552 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00458810 -0.00192083 0.00000000 0.00398253 58 0.69763870 0.00000000 0.00000000 0.50412552 0.00000000 59 0.00000000 0.00192083 0.00458810 0.00000000 0.00051165 60 0.63975972 0.00000000 0.00000000 0.42733510 0.00000000 61 0.00000000 -3.22619708 1.35066409 0.00000000 -3.69599289 62 0.00000000 -0.60403534 -1.44279920 -0.00000000 -0.21235499 63 -0.06593834 0.00000000 0.00000000 -1.29613092 0.00000000 64 0.00000000 -1.44279920 0.60403534 0.00000000 -1.65289827 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -1.46636432 0.61390100 0.00000000 -1.62799199 67 0.00000000 -1.35066409 -3.22619708 -0.00000000 -0.47484018 68 -0.06593834 0.00000000 0.00000000 -1.29613092 0.00000000 69 0.00000000 -0.61390100 -1.46636432 -0.00000000 -0.20915517 70 -0.04144097 0.00000000 0.00000000 -2.80807234 0.00000000 66 67 68 69 70 1 0.00000000 -0.47949993 -6.46180751 54.32570550 55.51873978 2 0.00000000 0.23468914 1.38026677 -26.35677199 -26.76458030 3 0.00000000 0.38410146 4.10964585 -31.88050139 -33.06550874 4 0.00000000 0.11162573 1.80860900 -15.37128656 -15.43478714 5 0.13321562 0.00000000 0.00000000 0.00000000 0.00000000 6 -1.03690461 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -1.02497016 1.28118209 0.01400844 -0.32268032 8 -0.85157876 0.00000000 0.00000000 0.00000000 0.00000000 9 6.62839659 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 6.62528384 -6.39107013 0.04258663 1.09630906 11 0.06861905 0.00000000 0.00000000 0.00000000 0.00000000 12 -0.53410708 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 -0.50503923 0.44555601 0.03434480 -0.17557667 14 0.00000000 -0.02689858 0.21355441 3.52390148 3.56996860 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00015748 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.02689858 0.21355441 3.52390148 3.56996860 18 -0.00122573 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.05063018 0.61649272 3.53828581 3.51578884 20 0.00000000 -0.03377150 -0.27113332 3.28525538 3.38654024 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00051166 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 -0.03377150 -0.27113332 3.28525538 3.38654024 24 -0.00398255 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.08220806 -0.77399126 3.21300583 3.52606202 26 0.47484153 0.00000000 0.00000000 0.00000000 0.00000000 27 -1.65290296 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 -1.61938907 1.65047590 0.02267806 -0.28638628 29 0.21235559 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.20915578 0.00000000 0.00000000 0.00000000 0.00000000 32 -3.69600337 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 -1.61938907 1.65047590 0.02267806 -0.28638628 34 -1.62799675 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -3.74940462 3.19595800 -0.08774728 -0.42493133 36 0.00000000 -0.47948484 6.46180379 54.32571586 -55.51872965 37 0.00000000 0.23468590 -1.38026620 -26.35677698 26.76457539 38 0.00000000 0.38409177 -4.10964357 -31.88050756 33.06550280 39 0.00000000 0.11162162 -1.80860796 -15.37128943 15.43478427 40 -0.13321527 0.00000000 0.00000000 0.00000000 0.00000000 41 1.03690189 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 1.02497238 1.28118013 -0.01400839 -0.32268032 43 0.85157637 0.00000000 0.00000000 0.00000000 0.00000000 44 -6.62837795 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 -6.62529446 -6.39105737 -0.04258681 1.09630904 46 -0.06861888 0.00000000 0.00000000 0.00000000 0.00000000 47 0.53410577 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.50503990 0.44555504 -0.03434477 -0.17557667 49 0.00000000 -0.02689907 -0.21355416 3.52390214 -3.56996794 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00015748 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.02689907 -0.21355416 3.52390214 -3.56996794 53 -0.00122577 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.05063153 -0.61649244 3.53828646 -3.51578818 55 0.00000000 -0.03377082 0.27113309 3.28525601 -3.38653962 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00051165 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 -0.03377082 0.27113309 3.28525601 -3.38653962 59 -0.00398253 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 -0.08220634 0.77399114 3.21300649 -3.52606142 61 -0.47484018 0.00000000 0.00000000 0.00000000 0.00000000 62 1.65289827 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 1.61939184 1.65047279 -0.02267802 -0.28638628 64 -0.21235499 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.20915517 0.00000000 0.00000000 0.00000000 0.00000000 67 3.69599289 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 1.61939184 1.65047279 -0.02267802 -0.28638628 69 1.62799199 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 3.74940984 3.19595076 0.08774735 -0.42493131 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.57242189 2 -0.43217271 3 0.23404081 4 0.26086678 5 0.40767900 6 0.40767900 7 0.48117810 8 0.57534726 9 0.57534726 10 0.84305444 11 1.12143381 12 1.17668094 13 1.58340786 14 1.80259591 15 1.80259591 16 1.86514988 17 1.86514988 18 1.86822787 19 1.86822787 20 2.01627864 21 2.01627864 22 2.05591592 23 2.11643608 24 2.11643608 25 2.24053075 26 2.42158141 27 2.42158141 28 3.01941424 29 3.04588399 30 3.15968926 31 4.37658287 32 4.37658287 33 4.45789969 34 4.50527297 35 4.50527297 36 4.71333765 37 5.92608754 38 5.92608754 39 5.98963288 40 6.02153852 41 6.02153852 42 6.05278276 43 6.05278276 44 6.05745044 45 6.05745044 46 6.08666490 47 6.08666490 48 6.24015707 49 6.24015707 50 6.68209408 51 8.03159641 52 8.03159641 53 8.09185266 54 8.09185266 55 8.15807039 56 8.15807039 57 8.26591599 58 8.39021048 59 8.39021048 60 9.04949915 61 9.61764174 62 9.68040332 63 9.68771208 64 9.68771208 65 9.73729140 66 9.73729140 67 9.91375020 68 9.95491931 69 22.58699222 70 23.12150935 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 0.01111577 2 0.11283923 3 0.32249008 4 0.38660247 5 0.47756043 6 0.47756043 7 0.57909810 8 0.64238987 9 0.64238987 10 0.90453650 11 1.22568318 12 1.26077534 13 1.64665038 14 1.86844389 15 1.86844389 16 1.92173099 17 1.92173099 18 1.93598971 19 1.93598971 20 2.06221255 21 2.06221255 22 2.13137169 23 2.16198024 24 2.16198024 25 2.29623991 26 2.46564083 27 2.46564083 28 3.09148545 29 3.09698527 30 3.23377068 31 4.42746631 32 4.42746631 33 4.51233182 34 4.55406089 35 4.55406089 36 4.75643556 37 5.96006644 38 5.96006644 39 6.02292374 40 6.05456375 41 6.05456375 42 6.08539218 43 6.08539218 44 6.09001988 45 6.09001988 46 6.11913851 47 6.11913851 48 6.27257774 49 6.27257774 50 6.71778738 51 8.07799044 52 8.07799044 53 8.13776191 54 8.13776191 55 8.20349042 56 8.20349042 57 8.31092690 58 8.43400648 59 8.43400648 60 9.09061766 61 9.68218340 62 9.73259996 63 9.73259996 64 9.73507509 65 9.78154027 66 9.78154027 67 9.95713649 68 10.00395441 69 22.59968664 70 23.13459413 Total CPU time for UHF = 1.354 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 14.987 seconds ************************************************ | One-shot G0W0 calculation | | *** Unrestricted version *** | ************************************************ Tamm-Dancoff approximation activated! ------------------------------------------------------------- RPA@UHF calculation: spin-conserved manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | 0.680862 | 18.527205 | | 2 | 0.715190 | 19.461304 | | 3 | 0.834756 | 22.714865 | | 4 | 0.853532 | 23.225779 | | 5 | 0.861934 | 23.454425 | | 6 | 0.861934 | 23.454425 | | 7 | 0.959018 | 26.096206 | | 8 | 0.995107 | 27.078234 | | 9 | 0.995107 | 27.078234 | | 10 | 1.072885 | 29.194687 | | 11 | 1.072885 | 29.194687 | | 12 | 1.095035 | 29.797425 | | 13 | 1.176074 | 32.002616 | | 14 | 1.176074 | 32.002616 | | 15 | 1.313880 | 35.752497 | | 16 | 1.438650 | 39.147674 | | 17 | 1.593477 | 43.360720 | | 18 | 1.632400 | 44.419857 | | 19 | 1.747039 | 47.539349 | | 20 | 1.786848 | 48.622619 | ------------------------------------------------------------- *** Quasiparticle energies obtained by linearization *** -------------------------------------------------------------------------------------------------------------------------------- Unrestricted one-shot G0W0 calculation (eV) -------------------------------------------------------------------------------------------------------------------------------- | | e_HF | Sig_c | Z | e_QP | | #| up dw | up dw | up dw | up dw | -------------------------------------------------------------------------------------------------------------------------------- | 1| -15.576393 0.302476| 0.191258 -0.954336| 0.957549 0.978161| -15.393254 -0.631018| | 2| -11.760018 3.070512| -0.007691 -0.720425| 0.965051 0.983096| -11.767441 2.362265| | 3| 6.368575 8.775402| -0.155597 -0.856372| 0.994348 0.973889| 6.213858 7.941391| | 4| 7.098547 10.519989| -0.138891 -1.193635| 0.994592 0.962802| 6.960407 9.370755| | 5| 11.093511 12.995081| -0.359751 -0.655921| 0.988240 0.977361| 10.737990 12.354009| | 6| 11.093511 12.995081| -0.359751 -0.655921| 0.988240 0.977361| 10.737990 12.354009| | 7| 13.093523 15.758062| -0.461773 -0.844030| 0.985563 0.969887| 12.638417 14.939448| | 8| 15.655996 17.480319| -0.366851 -0.690177| 0.988030 0.968210| 15.293537 16.812082| | 9| 15.655996 17.480319| -0.366851 -0.690177| 0.988030 0.968210| 15.293537 16.812082| | 10| 22.940680 24.613692| -0.522973 -0.785087| 0.971902 0.834260| 22.432402 23.958725| | 11| 30.515768 33.352538| -0.304835 -2.395567| 0.280455 0.238329| 30.430276 32.781605| | 12| 32.019119 34.307445| -1.002396 -0.775985| 0.561922 0.397366| 31.455851 33.999094| | 13| 43.086722 44.807639| 0.808794 0.524926| 0.167192 0.151056| 43.221946 44.886932| | 14| 49.051133 50.842948| -0.783464 -0.870091| 0.921905 0.882939| 48.328854 50.074711| | 15| 49.051133 50.842948| -0.783464 -0.870091| 0.921905 0.882939| 48.328854 50.074711| | 16| 50.753313 52.292964| -1.118447 -0.363825| 0.606852 0.862449| 50.074581 51.979184| | 17| 50.753313 52.292964| -1.118447 -0.363825| 0.606852 0.862449| 50.074581 51.979184| | 18| 50.837070 52.680963| -0.268990 -1.416940| 0.867124 0.566770| 50.603822 51.877885| | 19| 50.837070 52.680963| -0.268990 -1.416940| 0.867124 0.566770| 50.603822 51.877885| | 20| 54.865736 56.115662| -0.495732 -0.588760| 0.942562 0.936309| 54.398478 55.564401| | 21| 54.865736 56.115662| -0.495732 -0.588760| 0.942562 0.936309| 54.398478 55.564401| | 22| 55.944322 57.997578| -2.500768 -1.952341| 0.287486 0.553273| 55.225387 56.917399| | 23| 57.591159 58.830479| -0.628739 -0.738845| 0.947342 0.940741| 56.995528 58.135417| | 24| 57.591159 58.830479| -0.628739 -0.738845| 0.947342 0.940741| 56.995528 58.135417| | 25| 60.967947 62.483871| -0.168933 -1.312185| 0.356903 0.575560| 60.907654 61.728630| | 26| 65.894586 67.093505| -1.194221 -1.224397| 0.774053 0.813741| 64.970196 66.097163| | 27| 65.894586 67.093505| -1.194221 -1.224397| 0.774053 0.813741| 64.970196 66.097163| | 28| 82.162446 84.123604| 1.023371 -0.947326| 0.101553 0.087473| 82.266373 84.040738| | 29| 82.882725 84.273262| 1.555717 0.288629| 0.154752 0.098068| 83.123475 84.301567| | 30| 85.979524 87.995382| 0.417962 -1.499126| 0.053278 0.044434| 86.001792 87.928770| | 31| 119.092886 120.477495| -0.458435 -0.196847| 0.653969 0.410656| 118.793084 120.396659| | 32| 119.092886 120.477495| -0.458435 -0.196847| 0.653969 0.410656| 118.793084 120.396659| | 33| 121.305629 122.786803| -0.354777 -0.368134| 0.647796 0.636631| 121.075806 122.552437| | 34| 122.594722 123.922309| -0.809402 -0.929903| 0.633137 0.726944| 122.082259 123.246321| | 35| 122.594722 123.922309| -0.809402 -0.929903| 0.633137 0.726944| 122.082259 123.246321| | 36| 128.256450 129.429204| -0.861048 -0.898493| 0.816922 0.778682| 127.553041 128.729564| | 37| 161.257056 162.181669| -0.497961 -0.512571| 0.920163 0.886936| 160.798851 161.727051| | 38| 161.257056 162.181669| -0.497961 -0.512571| 0.920163 0.886936| 160.798851 161.727051| | 39| 162.986212 163.892103| -0.230301 -0.216337| 0.900733 0.889673| 162.778773 163.699633| | 40| 163.854409 164.753071| -0.731932 -0.767244| 0.955218 0.951860| 163.155254 164.022763| | 41| 163.854409 164.753071| -0.731932 -0.767244| 0.955218 0.951860| 163.155254 164.022763| | 42| 164.704608 165.591956| -0.800118 -0.840916| 0.959212 0.956892| 163.937125 164.787290| | 43| 164.704608 165.591956| -0.800118 -0.840916| 0.959212 0.956892| 163.937125 164.787290| | 44| 164.831622 165.717882| -0.803752 -0.844697| 0.958875 0.956528| 164.060924 164.909906| | 45| 164.831622 165.717882| -0.803752 -0.844697| 0.958875 0.956528| 164.060924 164.909906| | 46| 165.626588 166.510240| -0.814949 -0.854550| 0.953444 0.950624| 164.849580 165.697884| | 47| 165.626588 166.510240| -0.814949 -0.854550| 0.953444 0.950624| 164.849580 165.697884| | 48| 169.803323 170.685534| -0.967782 -1.020895| 0.922495 0.911792| 168.910549 169.754690| | 49| 169.803323 170.685534| -0.967782 -1.020895| 0.922495 0.911792| 168.910549 169.754690| | 50| 181.829042 182.800306| 0.025331 -0.016146| 0.162548 0.199262| 181.833159 182.797088| | 51| 218.550870 219.813316| -0.877552 -1.581338| 0.173582 0.440181| 218.398544 219.117241| | 52| 218.550870 219.813316| -0.877552 -1.581338| 0.173582 0.440181| 218.398544 219.117241| | 53| 220.190526 221.439781| -2.251140 -2.422522| 0.775346 0.642028| 218.445114 219.884453| | 54| 220.190526 221.439781| -2.251140 -2.422522| 0.775346 0.642028| 218.445114 219.884453| | 55| 221.992403 223.228344| -2.326147 -2.456223| 0.807600 0.772717| 220.113805 221.330379| | 56| 221.992403 223.228344| -2.326147 -2.456223| 0.807600 0.772717| 220.113805 221.330379| | 57| 224.927031 226.151840| -3.487986 -2.337911| 0.106450 0.404490| 224.555734 225.206178| | 58| 228.309256 229.501006| -3.276972 -3.938214| 0.325920 0.158221| 227.241226 228.877899| | 59| 228.309256 229.501006| -3.276972 -3.938214| 0.325920 0.158221| 227.241226 228.877899| | 60| 246.249415 247.368306| -3.266244 -3.117477| 0.451874 0.449602| 244.773485 245.966683| | 61| 261.709362 263.465630| -2.607306 -2.809457| 0.302605 0.346889| 260.920379 262.491061| | 62| 263.417191 264.837534| -2.323818 -1.803463| 0.882052 0.818772| 261.367462 263.360909| | 63| 263.616073 264.837534| -1.771521 -1.803463| 0.745078 0.818772| 262.296152 263.360909| | 64| 263.616073 264.904886| -1.771521 -2.395262| 0.745078 0.856444| 262.296152 262.853478| | 65| 264.965195 266.169268| -1.737666 -1.601803| 0.459572 0.629736| 264.166612 265.160555| | 66| 264.965195 266.169268| -1.737666 -1.601803| 0.459572 0.629736| 264.166612 265.160555| | 67| 269.766884 270.947485| -1.380711 -1.544761| 0.383146 0.457995| 269.237869 270.239992| | 68| 270.887152 272.221465| -2.263458 -2.460126| 0.777712 0.760455| 269.126834 270.350651| | 69| 614.623364 614.968797| -0.902111 -0.905297| 0.971092 0.970888| 613.747331 614.089855| | 70| 629.168316 629.524371| -1.647248 -1.650368| 0.876555 0.874223| 627.724413 628.081581| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: 0.000000 eV UG0W0 LUMO energy: -0.631018 eV UG0W0 HOMO-LUMO gap : -0.631018 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.013943 au RPA@UG0W0 correlation energy: -0.029346 au GM@UG0W0 total energy : -1.040676 au GM@UG0W0 correlation energy: -0.056079 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-flip manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | -0.021323 | -0.580237 | | 2 | 0.025194 | 0.685565 | | 3 | 0.281113 | 7.649482 | | 4 | 0.336114 | 9.146128 | | 5 | 0.417241 | 11.353698 | | 6 | 0.440391 | 11.983644 | | 7 | 0.528418 | 14.378998 | | 8 | 0.528418 | 14.378998 | | 9 | 0.600466 | 16.339514 | | 10 | 0.603761 | 16.429165 | | 11 | 0.603761 | 16.429165 | | 12 | 0.622747 | 16.945797 | | 13 | 0.647230 | 17.612036 | | 14 | 0.744977 | 20.271853 | | 15 | 0.790054 | 21.498459 | | 16 | 0.790054 | 21.498459 | | 17 | 0.876238 | 23.843657 | | 18 | 0.876238 | 23.843657 | | 19 | 1.007560 | 27.417106 | | 20 | 1.124194 | 30.590887 | ------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: -0.580237 eV f = 0.0000 = 0.0106 ------------------------------------------------------------- 1A -> 2B = 0.326213 1A -> 4B = 0.220725 2A -> 1B = -0.875080 2A -> 3B = 0.264882 ------------------------------------------------------------- Excitation n. 2: 0.685565 eV f = 0.0000 = 1.9964 ------------------------------------------------------------- 1A -> 1B = 0.672983 1A -> 3B = -0.238086 2A -> 2B = -0.603086 2A -> 4B = -0.341013 ------------------------------------------------------------- Excitation n. 3: 7.649482 eV f = 0.0000 = 0.1563 ------------------------------------------------------------- 1A -> 1B = 0.656412 1A -> 3B = -0.136455 1A -> 7B = 0.124208 2A -> 2B = 0.724904 ------------------------------------------------------------- Excitation n. 4: 9.146128 eV f = 0.0000 = 0.2203 ------------------------------------------------------------- 1A -> 2B = 0.772835 1A -> 4B = 0.324272 2A -> 1B = 0.455816 2A -> 3B = 0.226181 2A -> 7B = 0.179816 ------------------------------------------------------------- Excitation n. 5: 11.353698 eV f = 0.0000 = 0.9165 ------------------------------------------------------------- 1A -> 2B = -0.410788 1A -> 4B = 0.205851 2A -> 1B = 0.160000 2A -> 3B = 0.857186 2A -> 7B = -0.129955 ------------------------------------------------------------- Excitation n. 6: 11.983644 eV f = 0.0000 = 0.9628 ------------------------------------------------------------- 1A -> 1B = -0.307111 1A -> 3B = -0.438654 2A -> 2B = 0.291829 2A -> 4B = -0.779540 ------------------------------------------------------------- Excitation n. 7: 14.378998 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.204695 1A -> 9B = -0.174893 2A -> 5B = 0.949717 2A -> 6B = 0.147967 ------------------------------------------------------------- Excitation n. 8: 14.378998 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.174893 1A -> 9B = 0.204695 2A -> 5B = 0.147967 2A -> 6B = -0.949717 ------------------------------------------------------------- Excitation n. 9: 16.339514 eV f = 0.0000 = 0.9467 ------------------------------------------------------------- 1A -> 1B = -0.144716 1A -> 3B = -0.834664 1A -> 7B = 0.161948 2A -> 2B = -0.117399 2A -> 4B = 0.488102 ------------------------------------------------------------- Excitation n. 10: 16.429165 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = 0.782868 1A -> 6B = -0.103319 2A -> 8B = 0.555944 2A -> 9B = -0.249119 ------------------------------------------------------------- Excitation n. 11: 16.429165 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = 0.103319 1A -> 6B = 0.782868 2A -> 8B = -0.249119 2A -> 9B = -0.555944 ------------------------------------------------------------- Excitation n. 12: 16.945797 eV f = 0.0000 = 0.9999 ------------------------------------------------------------- 1A -> 2B = 0.348220 1A -> 4B = -0.539883 2A -> 3B = 0.186765 2A -> 7B = -0.732182 ------------------------------------------------------------- Excitation n. 13: 17.612036 eV f = 0.0000 = 0.8671 ------------------------------------------------------------- 1A -> 4B = 0.697261 1A -> 10B = -0.163508 2A -> 3B = -0.316021 2A -> 7B = -0.614864 ------------------------------------------------------------- Excitation n. 14: 20.271853 eV f = 0.0000 = 0.9505 ------------------------------------------------------------- 1A -> 3B = -0.154101 1A -> 7B = -0.921054 2A -> 2B = 0.106764 2A -> 10B = -0.315435 ------------------------------------------------------------- Excitation n. 15: 21.498459 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = 0.601345 1A -> 6B = 0.109264 2A -> 8B = -0.587713 2A -> 9B = 0.528319 ------------------------------------------------------------- Excitation n. 16: 21.498459 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = 0.109264 1A -> 6B = -0.601345 2A -> 8B = -0.528319 2A -> 9B = -0.587713 ------------------------------------------------------------- Excitation n. 17: 23.843657 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = -0.960122 2A -> 5B = 0.230439 2A -> 6B = -0.144622 ------------------------------------------------------------- Excitation n. 18: 23.843657 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 9B = -0.960122 2A -> 5B = -0.144622 2A -> 6B = -0.230439 ------------------------------------------------------------- Excitation n. 19: 27.417106 eV f = 0.0000 = 0.9995 ------------------------------------------------------------- 1A -> 7B = 0.309237 1A -> 11B = 0.115057 2A -> 10B = -0.935372 ------------------------------------------------------------- Excitation n. 20: 30.590887 eV f = 0.0000 = 0.9992 ------------------------------------------------------------- 1A -> 4B = -0.120392 1A -> 10B = -0.938231 2A -> 7B = 0.151836 2A -> 11B = 0.262565 Thomas-Reiche-Kuhn sum rule = 0.000000 ------------------------------------------------------------------------------- Tr@BSE@UG0W0 correlation energy (spin-conserved) = 0.0000000000 Tr@BSE@UG0W0 correlation energy (spin-flip) = -0.0000000000 Tr@BSE@UG0W0 correlation energy = -0.0000000000 Tr@BSE@UG0W0 total energy = -0.9845967315 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.479 seconds Total CPU time for QuAcK = 17.930 seconds