210 significant shell pairs computed in 0.000110 seconds 0 Computed Electron repulsion integrals Integrals in parallel in 3.461955 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 3.4015070258 ------------------ Nuclear repulsion energy = 0.2939873393 ------------------ 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 = 1.141 seconds Lowdin orthogonalization ************************************************ * Unrestricted Hartree-Fock calculation * ************************************************ ---------------------------------------------------------- | # | E(UHF) | Ex(UHF) | Conv | ---------------------------------------------------------- | 1 | -0.9661059766 | -0.6673485756 | 1.000000 | | 2 | -0.9804875349 | -0.6534123636 | 0.024564 | | 3 | -0.9822047167 | -0.6478428616 | 0.008968 | | 4 | -0.9824318811 | -0.6457506352 | 0.003360 | | 5 | -0.9824652548 | -0.6449727551 | 0.001296 | | 6 | -0.9824706737 | -0.6446833370 | 0.000515 | | 7 | -0.9824716326 | -0.6445753344 | 0.000211 | | 8 | -0.9824718138 | -0.6445348999 | 0.000089 | | 9 | -0.9824718496 | -0.6445197158 | 0.000038 | | 10 | -0.9824718569 | -0.6445139982 | 0.000017 | | 11 | -0.9824718584 | -0.6445118400 | 0.000007 | | 12 | -0.9824718587 | -0.6445110236 | 0.000003 | | 13 | -0.9824718588 | -0.6445107142 | 0.000002 | | 14 | -0.9824718588 | -0.6445105968 | 0.000001 | | 15 | -0.9824718588 | -0.6445105521 | 0.000000 | | 16 | -0.9824718588 | -0.6445105351 | 0.000000 | | 17 | -0.9824718588 | -0.6445105287 | 0.000000 | ---------------------------------------------------------- ------------------------------------------------- Summary ------------------------------------------------- One-electron energy: -1.5477774473 au One-electron a energy: -1.5477774473 au One-electron b energy: 0.0000000000 au Kinetic energy: 1.0638124475 au Kinetic a energy: 1.0638124475 au Kinetic b energy: 0.0000000000 au Potential energy: -2.6115898949 au Potential a energy: -2.6115898949 au Potential b energy: 0.0000000000 au ------------------------------------------------- Two-electron energy: 0.2713182493 au Two-electron aa energy: 0.2713182493 au Two-electron ab energy: 0.0000000000 au Two-electron bb energy: 0.0000000000 au Hartree energy: 0.9158287779 au Hartree aa energy: 0.9158287779 au Hartree ab energy: 0.0000000000 au Hartree bb energy: 0.0000000000 au Exchange energy: -0.6445105287 au Exchange a energy: -0.6445105287 au Exchange b energy: 0.0000000000 au ------------------------------------------------- Electronic energy: -1.2764591980 au Nuclear repulsion: 0.2939873393 au UHF energy: -0.9824718588 au ------------------------------------------------- UHF HOMO a energy: -11.625474 eV UHF LUMO a energy: 6.324117 eV UHF HOMOa-LUMOa gap: 17.949592 eV ------------------------------------------------- UHF HOMO b energy: 0.000000 eV UHF LUMO b energy: 0.263177 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 -0.000002 0.000002 ------------------------------------------------- ----------------------------------------- UHF spin-up orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.69571418 -0.76345222 0.09203155 -0.01845400 0.00000000 2 -0.00467765 0.00098120 0.17482625 -0.19140065 0.00000000 3 -0.01494923 -0.01317984 -1.83958458 1.86522211 0.00000000 4 -0.05717409 -0.07968391 1.22119647 -2.09604919 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 -0.47619586 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.03341619 7 -0.00333927 0.00021406 -0.07294857 -0.07134010 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 1.71376269 9 0.00000000 0.00000000 0.00000000 0.00000000 0.12026022 10 0.01696919 0.00558572 0.25987442 0.26591207 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 -0.94915827 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.06660548 13 0.00267017 0.00922167 -0.13597030 -0.11018421 0.00000000 14 0.00052374 -0.00053173 0.01719846 -0.01489849 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00055363 17 0.00052374 -0.00053173 0.01719846 -0.01489849 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00003885 19 0.00049275 -0.00039834 0.01449692 -0.01661732 0.00000000 20 0.00006573 -0.00107848 0.18957754 -0.19361901 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00075648 23 0.00006573 -0.00107848 0.18957754 -0.19361901 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00005308 25 0.00290577 0.00027654 0.21252626 -0.18485406 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 -0.69527834 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.02181951 28 -0.00275711 -0.00047613 -0.04704508 -0.04879393 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 -0.31093792 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 -0.30736683 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.04878991 33 -0.00275711 -0.00047613 -0.04704508 -0.04879393 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.02156892 35 -0.00542976 -0.00075072 -0.10155512 -0.10443829 0.00000000 36 0.69571355 0.76345256 0.09203124 0.01845411 0.00000000 37 -0.00467767 -0.00098119 0.17482580 0.19140109 0.00000000 38 -0.01494935 0.01317952 -1.83958020 -1.86522671 0.00000000 39 -0.05717376 0.07968428 1.22119142 2.09605218 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 -0.47619589 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.03341619 42 0.00333928 0.00021414 0.07294872 -0.07133996 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 1.71376279 44 0.00000000 0.00000000 0.00000000 0.00000000 0.12026023 45 -0.01696921 0.00558545 -0.25987498 0.26591159 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 -0.94915835 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.06660548 48 -0.00267007 0.00922192 0.13597050 -0.11018394 0.00000000 49 0.00052374 0.00053173 0.01719842 0.01489853 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00055363 52 0.00052374 0.00053173 0.01719842 0.01489853 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00003885 54 0.00049275 0.00039834 0.01449688 0.01661736 0.00000000 55 0.00006573 0.00107851 0.18957708 0.19361949 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00075648 58 0.00006573 0.00107851 0.18957708 0.19361949 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00005308 60 0.00290577 -0.00027651 0.21252583 0.18485460 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 -0.69527838 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.02181951 63 0.00275712 -0.00047608 0.04704519 -0.04879384 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 -0.31093794 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 -0.30736685 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.04878991 68 0.00275712 -0.00047608 0.04704519 -0.04879384 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.02156892 70 0.00542977 -0.00075061 0.10155534 -0.10443810 0.00000000 6 7 8 9 10 1 0.00000000 -0.02503438 0.00000000 0.00000000 0.43440582 2 0.00000000 0.04349843 0.00000000 0.00000000 0.03179600 3 0.00000000 -0.59870707 0.00000000 0.00000000 -0.46050350 4 0.00000000 0.28857054 0.00000000 0.00000000 0.99056148 5 -0.03341619 0.00000000 -0.49652013 0.22367442 0.00000000 6 0.47619586 0.00000000 -0.22367442 -0.49652013 0.00000000 7 0.00000000 0.43558798 0.00000000 0.00000000 0.71484151 8 0.12026022 0.00000000 1.79675096 -0.80940771 0.00000000 9 -1.71376269 0.00000000 0.80940771 1.79675096 0.00000000 10 0.00000000 -1.56140479 0.00000000 0.00000000 -2.62224005 11 -0.06660548 0.00000000 -1.08880895 0.49049110 0.00000000 12 0.94915827 0.00000000 -0.49049110 -1.08880895 0.00000000 13 0.00000000 0.91098172 0.00000000 0.00000000 1.96005265 14 0.00000000 0.00393676 0.00000000 0.00000000 0.00912060 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00003885 0.00000000 -0.00091590 0.00041260 0.00000000 17 0.00000000 0.00393676 0.00000000 0.00000000 0.00912060 18 0.00055363 0.00000000 -0.00041260 -0.00091590 0.00000000 19 0.00000000 0.00755671 0.00000000 0.00000000 0.00527318 20 0.00000000 0.06508012 0.00000000 0.00000000 0.05660885 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00005308 0.00000000 0.00669622 -0.00301654 0.00000000 23 0.00000000 0.06508012 0.00000000 0.00000000 0.05660885 24 -0.00075648 0.00000000 0.00301654 0.00669622 0.00000000 25 0.00000000 0.01893338 0.00000000 0.00000000 0.09978688 26 -0.04878991 0.00000000 -0.71823554 0.32355368 0.00000000 27 0.31093792 0.00000000 -0.14469760 -0.32120470 0.00000000 28 0.00000000 0.27961759 0.00000000 0.00000000 0.45639839 29 -0.02181951 0.00000000 -0.32120470 0.14469760 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.02156892 0.00000000 -0.32473357 0.14628731 0.00000000 32 0.69527834 0.00000000 -0.32355368 -0.71823554 0.00000000 33 0.00000000 0.27961759 0.00000000 0.00000000 0.45639839 34 0.30736683 0.00000000 -0.14628731 -0.32473357 0.00000000 35 0.00000000 0.62339457 0.00000000 0.00000000 1.03666438 36 0.00000000 -0.02503423 0.00000000 0.00000000 -0.43440556 37 0.00000000 0.04349838 0.00000000 0.00000000 -0.03179584 38 0.00000000 -0.59870678 0.00000000 0.00000000 0.46050268 39 0.00000000 0.28857038 0.00000000 0.00000000 -0.99056137 40 -0.03341619 0.00000000 0.49652009 -0.22367440 0.00000000 41 0.47619589 0.00000000 0.22367440 0.49652009 0.00000000 42 0.00000000 -0.43558796 0.00000000 0.00000000 0.71484152 43 0.12026023 0.00000000 -1.79675082 0.80940764 0.00000000 44 -1.71376279 0.00000000 -0.80940764 -1.79675082 0.00000000 45 0.00000000 1.56140469 0.00000000 0.00000000 -2.62224007 46 -0.06660548 0.00000000 1.08880888 -0.49049107 0.00000000 47 0.94915835 0.00000000 0.49049107 1.08880888 0.00000000 48 0.00000000 -0.91098169 0.00000000 0.00000000 1.96005264 49 0.00000000 0.00393675 0.00000000 0.00000000 -0.00912059 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00003885 0.00000000 -0.00091590 0.00041260 0.00000000 52 0.00000000 0.00393675 0.00000000 0.00000000 -0.00912059 53 -0.00055363 0.00000000 -0.00041260 -0.00091590 0.00000000 54 0.00000000 0.00755671 0.00000000 0.00000000 -0.00527317 55 0.00000000 0.06508008 0.00000000 0.00000000 -0.05660873 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00005308 0.00000000 0.00669622 -0.00301654 0.00000000 58 0.00000000 0.06508008 0.00000000 0.00000000 -0.05660873 59 0.00075648 0.00000000 0.00301654 0.00669622 0.00000000 60 0.00000000 0.01893335 0.00000000 0.00000000 -0.09978675 61 -0.04878991 0.00000000 0.71823548 -0.32355365 0.00000000 62 0.31093794 0.00000000 0.14469759 0.32120467 0.00000000 63 0.00000000 -0.27961758 0.00000000 0.00000000 0.45639839 64 -0.02181951 0.00000000 0.32120467 -0.14469759 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -0.02156892 0.00000000 0.32473355 -0.14628729 0.00000000 67 0.69527838 0.00000000 0.32355365 0.71823548 0.00000000 68 0.00000000 -0.27961758 0.00000000 0.00000000 0.45639839 69 0.30736685 0.00000000 0.14628729 0.32473355 0.00000000 70 0.00000000 -0.62339453 0.00000000 0.00000000 1.03666439 11 12 13 14 15 1 2.06381879 -1.93255591 0.00877675 0.00000000 0.00000000 2 0.92320643 -1.14988630 -0.04502986 0.00000000 0.00000000 3 -4.70757988 5.41966763 0.27504887 0.00000000 0.00000000 4 0.37635995 -0.65091315 -0.08319915 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 1.48645536 -0.29666312 6 0.00000000 0.00000000 0.00000000 -0.29666312 -1.48645536 7 -0.01838648 0.22345197 1.33441416 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 -5.61605937 1.12083939 9 0.00000000 0.00000000 0.00000000 1.12083939 5.61605937 10 0.05917732 -0.86082288 -5.04465476 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 1.03482809 -0.20652846 12 0.00000000 0.00000000 0.00000000 -0.20652846 -1.03482809 13 0.08941324 0.79295847 1.02280595 0.00000000 0.00000000 14 0.04492200 -0.03700224 -0.02053018 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.04163134 -0.00830868 17 0.04492200 -0.03700224 -0.02053018 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 -0.00830868 -0.04163134 19 0.03393590 -0.04548797 0.02941640 0.00000000 0.00000000 20 0.66170070 -0.76234314 0.05064062 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 -0.28619368 0.05711783 23 0.66170070 -0.76234314 0.05064062 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 0.05711783 0.28619368 25 0.75772564 -0.70156353 -0.45808857 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 2.20876424 -0.44081976 27 0.00000000 0.00000000 0.00000000 -0.19714059 -0.98778940 28 -0.01420010 0.13425862 0.87514982 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 0.98778940 -0.19714059 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.96575012 -0.19274205 32 0.00000000 0.00000000 0.00000000 -0.44081976 -2.20876424 33 -0.01420010 0.13425862 0.87514982 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 -0.19274205 -0.96575012 35 -0.01313650 0.33203986 1.93392454 0.00000000 0.00000000 36 2.06381791 1.93255705 0.00877669 0.00000000 0.00000000 37 0.92320582 1.14988677 -0.04502988 0.00000000 0.00000000 38 -4.70757706 -5.41967006 0.27504896 0.00000000 0.00000000 39 0.37635971 0.65091332 -0.08319919 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 1.48645536 -0.29666312 41 0.00000000 0.00000000 0.00000000 -0.29666312 -1.48645536 42 0.01838625 0.22345193 -1.33441408 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 -5.61605936 1.12083939 44 0.00000000 0.00000000 0.00000000 1.12083939 5.61605936 45 -0.05917649 -0.86082275 5.04465446 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 1.03482810 -0.20652846 47 0.00000000 0.00000000 0.00000000 -0.20652846 -1.03482810 48 -0.08941395 0.79295837 -1.02280588 0.00000000 0.00000000 49 0.04492198 0.03700227 -0.02053018 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 -0.04163134 0.00830868 52 0.04492198 0.03700227 -0.02053018 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00830868 0.04163134 54 0.03393587 0.04548799 0.02941640 0.00000000 0.00000000 55 0.66170030 0.76234347 0.05064060 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.28619370 -0.05711784 58 0.66170030 0.76234347 0.05064060 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 -0.05711784 -0.28619370 60 0.75772527 0.70156391 -0.45808862 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 2.20876423 -0.44081976 62 0.00000000 0.00000000 0.00000000 -0.19714059 -0.98778939 63 0.01419996 0.13425860 -0.87514977 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 0.98778939 -0.19714059 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.96575011 -0.19274204 67 0.00000000 0.00000000 0.00000000 -0.44081976 -2.20876423 68 0.01419996 0.13425860 -0.87514977 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 -0.19274204 -0.96575011 70 0.01313617 0.33203980 -1.93392441 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 0.49541512 0.10688788 1.59542058 0.20281213 0.00000000 6 -0.10688788 0.49541512 0.20281213 -1.59542058 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -1.90500138 -0.41101201 -6.08006199 -0.77290612 0.00000000 9 0.41101201 -1.90500138 -0.77290612 6.08006199 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.27090167 0.05844817 1.27990800 0.16270372 0.00000000 12 -0.05844817 0.27090167 0.16270372 -1.27990800 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.09159996 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00009190 16 -0.09106221 -0.01964705 0.00806755 0.00102556 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.09159996 18 0.01964705 -0.09106221 0.00102556 -0.00806755 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.65379101 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00065594 22 0.63847049 0.13775268 -0.06010984 -0.00764125 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.65379101 24 -0.13775268 0.63847049 -0.00764125 0.06010984 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.72748655 0.15695826 2.34521964 0.29812765 0.00000000 27 -0.07019387 0.32534187 0.13332674 -1.04881411 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.00589630 29 0.32534187 0.07019387 1.04881411 0.13332674 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000592 31 0.34009301 0.07337649 1.06215240 0.13502232 0.00000000 32 -0.15695826 0.72748655 0.29812765 -2.34521964 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00589630 34 -0.07337649 0.34009301 0.13502232 -1.06215240 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 0.49541351 0.10688754 -1.59542102 -0.20281219 0.00000000 41 -0.10688754 0.49541351 -0.20281219 1.59542102 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -1.90499527 -0.41101069 6.08006373 0.77290634 0.00000000 44 0.41101069 -1.90499527 0.77290634 -6.08006373 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.27090040 0.05844789 -1.27990826 -0.16270376 0.00000000 47 -0.05844789 0.27090040 -0.16270376 1.27990826 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.09159998 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00009190 51 0.09106222 0.01964705 0.00806746 0.00102555 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.09159998 53 -0.01964705 0.09106222 0.00102555 -0.00806746 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 0.65379115 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00065594 57 -0.63847055 -0.13775269 -0.06010918 -0.00764116 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.65379115 59 0.13775269 -0.63847055 -0.00764116 0.06010918 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.72748418 0.15695775 -2.34522029 -0.29812774 0.00000000 62 -0.07019364 0.32534082 -0.13332678 1.04881440 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00589631 64 0.32534082 0.07019364 -1.04881440 -0.13332678 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000592 66 0.34009195 0.07337626 -1.06215271 -0.13502236 0.00000000 67 -0.15695775 0.72748418 -0.29812774 2.34522029 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.00589631 69 -0.07337626 0.34009195 -0.13502236 1.06215271 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 -0.22927854 0.00000000 0.00000000 -0.02397263 2 0.00000000 0.06917589 0.00000000 0.00000000 -0.02561300 3 0.00000000 0.18524773 0.00000000 0.00000000 -0.45402782 4 0.00000000 -0.62479454 0.00000000 0.00000000 0.16362969 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 -1.70840286 0.00000000 0.00000000 1.10283304 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 6.59450128 0.00000000 0.00000000 -4.21351811 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 -1.96496482 0.00000000 0.00000000 0.82764559 14 -0.00007959 -0.01411263 -0.08839800 0.00024203 0.04088868 15 -0.10577053 0.00000000 0.00027947 0.10207321 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00007959 -0.01411263 0.08839800 -0.00024203 0.04088868 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.00333475 0.00000000 0.00000000 -0.06547411 20 0.00056806 -0.01551246 0.66749735 -0.00182755 -0.19997166 21 0.75493284 0.00000000 -0.00211027 -0.77075954 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00056806 -0.01551246 -0.66749735 0.00182755 -0.19997166 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.19697496 0.00000000 0.00000000 0.69501853 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000512 -1.10690493 -0.00459325 0.00001258 0.73286487 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00680846 0.00000000 0.00001452 0.00530383 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 -0.00000512 -1.10690493 0.00459325 -0.00001258 0.73286487 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -2.52020925 0.00000000 0.00000000 1.60949483 36 0.00000000 0.22927852 0.00000000 0.00000000 -0.02397266 37 0.00000000 -0.06917587 0.00000000 0.00000000 -0.02561299 38 0.00000000 -0.18524764 0.00000000 0.00000000 -0.45402774 39 0.00000000 0.62479452 0.00000000 0.00000000 0.16362972 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 -1.70840277 0.00000000 0.00000000 -1.10283313 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 6.59450099 0.00000000 0.00000000 4.21351849 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 -1.96496478 0.00000000 0.00000000 -0.82764573 49 -0.00007959 0.01411262 0.08839798 -0.00024203 0.04088867 50 -0.10577055 0.00000000 -0.00027947 -0.10207319 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00007959 0.01411262 -0.08839798 0.00024203 0.04088867 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00333475 0.00000000 0.00000000 -0.06547411 55 0.00056806 0.01551245 -0.66749721 0.00182755 -0.19997168 56 0.75493299 0.00000000 0.00211027 0.77075939 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00056806 0.01551245 0.66749721 -0.00182755 -0.19997168 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 0.19697486 0.00000000 0.00000000 0.69501851 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 -0.00000512 -1.10690487 -0.00459325 0.00001258 -0.73286493 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 -0.00680847 0.00000000 0.00001452 0.00530382 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 0.00000512 -1.10690487 0.00459325 -0.00001258 -0.73286493 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 -2.52020913 0.00000000 0.00000000 -1.60949498 26 27 28 29 30 1 0.00000000 0.00000000 1.26149488 -0.94346296 0.62520027 2 0.00000000 0.00000000 -0.13068102 -0.46591987 -0.41114873 3 0.00000000 0.00000000 -4.18020489 4.70276032 -1.89119658 4 0.00000000 0.00000000 0.25497768 -0.33984939 0.47427352 5 -0.11718177 -0.33262902 0.00000000 0.00000000 0.00000000 6 -0.33262902 0.11718177 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.10203760 0.32985535 0.44839159 8 0.44376601 1.25966225 0.00000000 0.00000000 0.00000000 9 1.25966225 -0.44376601 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.32919707 -1.23652112 -1.52567757 11 -0.15170270 -0.43061921 0.00000000 0.00000000 0.00000000 12 -0.43061921 0.15170270 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.01487865 1.21849778 0.92517662 14 0.00000000 0.00000000 0.07783125 -0.01988638 0.09301876 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.03234426 0.09181154 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.07783125 -0.01988638 0.09301876 18 0.09181154 -0.03234426 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.10425491 -0.13822778 -0.00849853 20 0.00000000 0.00000000 1.40035186 -1.54968531 0.45753116 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.27844538 -0.79038755 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 1.40035186 -1.54968531 0.45753116 24 -0.79038755 0.27844538 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 1.18369617 -0.28335570 1.55704988 26 -0.17569736 -0.49872981 0.00000000 0.00000000 0.00000000 27 -0.22303875 0.07857425 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.08113652 0.21839663 0.32840668 29 -0.07857425 -0.22303875 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.06612921 -0.18771259 0.00000000 0.00000000 0.00000000 32 -0.49872981 0.17569736 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.08113652 0.21839663 0.32840668 34 -0.18771259 0.06612921 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.10935672 0.44280259 0.58486995 36 0.00000000 0.00000000 1.26149549 0.94346208 -0.62520007 37 0.00000000 0.00000000 -0.13068073 0.46591997 0.41114869 38 0.00000000 0.00000000 -4.18020815 -4.70275756 1.89119616 39 0.00000000 0.00000000 0.25497798 0.33984924 -0.47427352 40 0.11718178 0.33262904 0.00000000 0.00000000 0.00000000 41 0.33262904 -0.11718178 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.10203779 0.32985529 0.44839164 43 -0.44376603 -1.25966233 0.00000000 0.00000000 0.00000000 44 -1.25966233 0.44376603 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -0.32919773 -1.23652094 -1.52567776 46 0.15170271 0.43061923 0.00000000 0.00000000 0.00000000 47 0.43061923 -0.15170271 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.01487934 1.21849778 0.92517666 49 0.00000000 0.00000000 0.07783127 0.01988634 -0.09301875 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.03234426 0.09181154 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.07783127 0.01988634 -0.09301875 53 0.09181154 -0.03234426 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.10425500 0.13822770 0.00849853 55 0.00000000 0.00000000 1.40035292 1.54968439 -0.45753103 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.27844537 -0.79038754 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 1.40035292 1.54968439 -0.45753103 59 -0.79038754 0.27844537 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 1.18369651 0.28335493 -1.55704978 61 0.17569737 0.49872983 0.00000000 0.00000000 0.00000000 62 0.22303876 -0.07857425 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.08113664 0.21839658 0.32840671 64 0.07857425 0.22303876 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.06612921 0.18771261 0.00000000 0.00000000 0.00000000 67 0.49872983 -0.17569737 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.08113664 0.21839658 0.32840671 69 0.18771261 -0.06612921 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.10935696 0.44280255 0.58487002 31 32 33 34 35 1 0.00000000 0.00000000 0.00000000 0.00000000 0.24315969 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.07063497 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.53369292 4 0.00000000 0.00000000 0.00000000 0.00000000 0.01837344 5 -2.68688660 0.89976176 0.84457256 -2.91310883 0.00000000 6 0.89976176 2.68688660 2.91310883 0.84457256 -0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 2.75726366 8 8.34618241 -2.79489866 -2.64293206 9.11602995 0.00000000 9 -2.79489866 -8.34618241 -9.11602995 -2.64293206 0.00000000 10 0.00000000 0.00000000 -0.00000000 0.00000000 -8.50249861 11 -0.80010518 0.26793243 0.29597572 -1.02088266 0.00000000 12 0.26793243 0.80010518 1.02088266 0.29597572 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.88706961 14 0.00000000 0.00000000 0.00000000 0.00000000 0.02776390 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00274329 0.00091865 0.00110850 -0.00382345 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.02776390 18 0.00091865 0.00274329 0.00382345 0.00110850 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.01795704 20 0.00000000 0.00000000 0.00000000 0.00000000 0.05493183 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.01376635 0.00460996 0.00659918 -0.02276195 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.05493183 24 0.00460996 0.01376635 0.02276195 0.00659918 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.24271178 26 -4.05381359 1.35750665 1.25406302 -4.32552778 0.00000000 27 0.60709543 1.81292055 1.93443483 0.56083403 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 1.86508751 29 -1.81292055 0.60709543 0.56083403 -1.93443483 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.75184466 0.58664286 0.57454070 -1.98171201 0.00000000 32 1.35750665 4.05381359 4.32552778 1.25406302 -0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 1.86508751 34 0.58664286 1.75184466 1.98171201 0.57454070 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 4.00341688 36 0.00000000 0.00000000 0.00000000 0.00000000 0.24315960 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.07063494 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.53369288 39 0.00000000 0.00000000 0.00000000 0.00000000 0.01837351 40 -2.68688754 0.89976207 -0.84457230 2.91310795 0.00000000 41 0.89976207 2.68688754 -2.91310795 -0.84457230 0.00000000 42 0.00000000 0.00000000 -0.00000000 0.00000000 -2.75726402 43 8.34618535 -2.79489964 2.64293127 -9.11602721 0.00000000 44 -2.79489964 -8.34618535 9.11602721 2.64293127 -0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 8.50249973 46 -0.80010552 0.26793254 -0.29597565 1.02088241 0.00000000 47 0.26793254 0.80010552 -1.02088241 -0.29597565 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.88706977 49 0.00000000 0.00000000 0.00000000 0.00000000 0.02776390 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00274330 -0.00091865 0.00110850 -0.00382345 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.02776390 53 -0.00091865 -0.00274330 0.00382345 0.00110850 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.01795702 55 0.00000000 0.00000000 0.00000000 0.00000000 0.05493184 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.01376636 -0.00460996 0.00659917 -0.02276194 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.05493184 59 -0.00460996 -0.01376636 0.02276194 0.00659917 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.24271176 61 -4.05381497 1.35750712 -1.25406263 4.32552643 0.00000000 62 0.60709564 1.81292117 -1.93443423 -0.56083386 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -1.86508773 64 -1.81292117 0.60709564 -0.56083386 1.93443423 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 -1.75184529 0.58664307 -0.57454053 1.98171144 0.00000000 67 1.35750712 4.05381497 -4.32552643 -1.25406263 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -1.86508773 69 0.58664307 1.75184529 -1.98171144 -0.57454053 0.00000000 70 0.00000000 0.00000000 -0.00000000 0.00000000 -4.00341740 36 37 38 39 40 1 -0.06707212 0.00000000 0.00000000 0.47952318 0.00000000 2 0.11053667 0.00000000 0.00000000 -0.25834139 0.00000000 3 0.08077325 0.00000000 0.00000000 0.09200607 0.00000000 4 0.40444510 0.00000000 0.00000000 -0.19680183 0.00000000 5 0.00000000 -0.26275752 0.00891970 0.00000000 0.00000000 6 0.00000000 0.00891970 0.26275752 0.00000000 0.00000000 7 3.46505303 0.00000000 0.00000000 0.78045860 0.00000000 8 0.00000000 0.77435835 -0.02628675 0.00000000 0.00000000 9 0.00000000 -0.02628675 -0.77435835 0.00000000 0.00000000 10 -11.05072968 0.00000000 0.00000000 -2.54315826 0.00000000 11 0.00000000 -0.06949765 0.00235920 0.00000000 0.00000000 12 0.00000000 0.00235920 0.06949765 0.00000000 0.00000000 13 1.44681205 0.00000000 0.00000000 0.34857974 0.00000000 14 -0.02550717 0.00000000 0.00000000 -0.00698636 0.01109175 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000418 16 0.00000000 0.03649194 -0.00123877 0.00000000 0.00000000 17 -0.02550717 0.00000000 0.00000000 -0.00698636 -0.01109175 18 0.00000000 -0.00123877 -0.03649194 0.00000000 0.00000000 19 0.04445795 0.00000000 0.00000000 0.00312866 0.00000000 20 0.01011596 0.00000000 0.00000000 -0.10863616 0.00792084 21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000299 22 0.00000000 0.03589270 -0.00121843 0.00000000 0.00000000 23 0.01011596 0.00000000 0.00000000 -0.10863616 -0.00792084 24 0.00000000 -0.00121843 -0.03589270 0.00000000 0.00000000 25 -0.22441757 0.00000000 0.00000000 -0.12396803 0.00000000 26 0.00000000 0.06875271 -0.00233391 0.00000000 0.00000000 27 0.00000000 -0.00104376 -0.03074715 0.00000000 0.00000000 28 2.21109682 0.00000000 0.00000000 0.03858002 -0.61079772 29 0.00000000 0.03074715 -0.00104376 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00023021 31 0.00000000 -0.92191142 0.03129566 0.00000000 0.00000000 32 0.00000000 -0.00233391 -0.06875271 0.00000000 0.00000000 33 2.21109682 0.00000000 0.00000000 0.03858002 0.61079772 34 0.00000000 0.03129566 0.92191142 0.00000000 0.00000000 35 5.32331029 0.00000000 0.00000000 1.82953001 0.00000000 36 0.06707221 0.00000000 0.00000000 0.47952310 0.00000000 37 -0.11053670 0.00000000 0.00000000 -0.25834136 0.00000000 38 -0.08077331 0.00000000 0.00000000 0.09200608 0.00000000 39 -0.40444513 0.00000000 0.00000000 -0.19680183 0.00000000 40 0.00000000 -0.26275748 0.00891970 0.00000000 0.00000000 41 0.00000000 0.00891970 0.26275748 0.00000000 0.00000000 42 3.46505278 0.00000000 0.00000000 -0.78045843 0.00000000 43 0.00000000 0.77435822 -0.02628675 0.00000000 0.00000000 44 0.00000000 -0.02628675 -0.77435822 0.00000000 0.00000000 45 -11.05072887 0.00000000 0.00000000 2.54315772 0.00000000 46 0.00000000 -0.06949765 0.00235920 0.00000000 0.00000000 47 0.00000000 0.00235920 0.06949765 0.00000000 0.00000000 48 1.44681198 0.00000000 0.00000000 -0.34857966 0.00000000 49 0.02550717 0.00000000 0.00000000 -0.00698637 0.01109173 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000418 51 0.00000000 -0.03649192 0.00123877 0.00000000 0.00000000 52 0.02550717 0.00000000 0.00000000 -0.00698637 -0.01109173 53 0.00000000 0.00123877 0.03649192 0.00000000 0.00000000 54 -0.04445797 0.00000000 0.00000000 0.00312867 0.00000000 55 -0.01011597 0.00000000 0.00000000 -0.10863615 0.00792085 56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000299 57 0.00000000 -0.03589271 0.00121843 0.00000000 0.00000000 58 -0.01011597 0.00000000 0.00000000 -0.10863615 -0.00792085 59 0.00000000 0.00121843 0.03589271 0.00000000 0.00000000 60 0.22441758 0.00000000 0.00000000 -0.12396802 0.00000000 61 0.00000000 0.06875284 -0.00233392 0.00000000 0.00000000 62 0.00000000 -0.00104376 -0.03074721 0.00000000 0.00000000 63 2.21109663 0.00000000 0.00000000 -0.03857988 0.61079819 64 0.00000000 0.03074721 -0.00104376 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00023021 66 0.00000000 -0.92191151 0.03129566 0.00000000 0.00000000 67 0.00000000 -0.00233392 -0.06875284 0.00000000 0.00000000 68 2.21109663 0.00000000 0.00000000 -0.03857988 -0.61079819 69 0.00000000 0.03129566 0.92191151 0.00000000 0.00000000 70 5.32330990 0.00000000 0.00000000 -1.82952981 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 0.00000362 0.00000000 0.00000000 0.00000000 0.00000000 15 0.01280765 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00000362 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 0.00000259 0.00000000 0.00000000 0.00000000 0.00000000 21 0.00914620 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00000259 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 0.05172960 -0.55652854 0.01523514 0.55889891 27 0.00000000 0.74666138 0.06940254 0.74984157 -0.02044008 28 -0.00019937 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.06940254 0.74666138 -0.02044008 -0.74984157 30 -0.70528846 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 -0.55652854 -0.05172960 -0.55889891 0.01523514 33 0.00019937 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 0.00000362 0.00000000 0.00000000 0.00000000 0.00000000 50 0.01280763 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00000362 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 0.00000259 0.00000000 0.00000000 0.00000000 0.00000000 56 0.00914620 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00000259 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 0.05173017 -0.55653472 -0.01523497 -0.55889270 62 0.00000000 0.74666968 0.06940331 -0.74983324 0.02043986 63 0.00019937 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -0.06940331 0.74666968 0.02043986 0.74983324 65 0.70528900 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 -0.55653472 -0.05173017 0.55889270 -0.01523497 68 -0.00019937 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 -1.68014248 2 0.00000000 0.00000000 0.00000000 0.00000000 0.50305197 3 0.00000000 0.00000000 0.00000000 0.00000000 1.05640855 4 0.00000000 0.00000000 0.00000000 0.00000000 0.32972833 5 0.00000000 0.00000000 0.02455023 -0.14108329 0.00000000 6 0.00000000 0.00000000 0.14108329 0.02455023 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 -1.22849738 8 0.00000000 0.00000000 -0.06148828 0.35335586 0.00000000 9 0.00000000 0.00000000 -0.35335586 -0.06148828 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 3.68991521 11 0.00000000 0.00000000 -0.00249625 0.01434523 0.00000000 12 0.00000000 0.00000000 -0.01434523 -0.00249625 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 -0.37010344 14 0.01452616 0.00000081 0.00000000 0.00000000 -0.13626769 15 -0.00000094 0.01677336 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.01529346 0.08788724 0.00000000 17 -0.01452616 -0.00000081 0.00000000 0.00000000 -0.13626769 18 0.00000000 0.00000000 -0.08788724 -0.01529346 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.20730433 20 0.00505046 0.00000028 0.00000000 0.00000000 -0.07699486 21 -0.00000033 0.00583177 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.00697017 0.04005562 0.00000000 23 -0.00505046 -0.00000028 0.00000000 0.00000000 -0.07699486 24 0.00000000 0.00000000 -0.04005562 -0.00697017 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.10567372 26 0.00000000 0.00000000 0.10411205 -0.59830271 0.00000000 27 0.00000000 0.00000000 0.26756911 0.04656032 0.00000000 28 0.61361120 0.00003435 0.00000000 0.00000000 -1.18749240 29 0.00000000 0.00000000 0.04656032 -0.26756911 0.00000000 30 -0.00003967 0.70853718 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.11991270 0.68910462 0.00000000 32 0.00000000 0.00000000 0.59830271 0.10411205 0.00000000 33 -0.61361120 -0.00003435 0.00000000 0.00000000 -1.18749240 34 0.00000000 0.00000000 -0.68910462 -0.11991270 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 -0.98849455 36 0.00000000 0.00000000 0.00000000 0.00000000 1.68014256 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.50305200 38 0.00000000 0.00000000 0.00000000 0.00000000 -1.05640858 39 0.00000000 0.00000000 0.00000000 0.00000000 -0.32972835 40 0.00000000 0.00000000 -0.02455024 0.14108332 0.00000000 41 0.00000000 0.00000000 -0.14108332 -0.02455024 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -1.22849745 43 0.00000000 0.00000000 0.06148829 -0.35335595 0.00000000 44 0.00000000 0.00000000 0.35335595 0.06148829 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 3.68991540 46 0.00000000 0.00000000 0.00249625 -0.01434523 0.00000000 47 0.00000000 0.00000000 0.01434523 0.00249625 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.37010347 49 -0.01452618 -0.00000081 0.00000000 0.00000000 0.13626770 50 0.00000094 -0.01677338 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.01529347 0.08788727 0.00000000 52 0.01452618 0.00000081 0.00000000 0.00000000 0.13626770 53 0.00000000 0.00000000 -0.08788727 -0.01529347 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.20730437 55 -0.00505046 -0.00000028 0.00000000 0.00000000 0.07699484 56 0.00000033 -0.00583176 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.00697017 0.04005561 0.00000000 58 0.00505046 0.00000028 0.00000000 0.00000000 0.07699484 59 0.00000000 0.00000000 -0.04005561 -0.00697017 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 -0.10567370 61 0.00000000 0.00000000 -0.10411204 0.59830269 0.00000000 62 0.00000000 0.00000000 -0.26756910 -0.04656032 0.00000000 63 0.61361073 0.00003435 0.00000000 0.00000000 -1.18749240 64 0.00000000 0.00000000 -0.04656032 0.26756910 0.00000000 65 -0.00003967 0.70853664 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.11991268 -0.68910449 0.00000000 67 0.00000000 0.00000000 -0.59830269 -0.10411204 0.00000000 68 -0.61361073 -0.00003435 0.00000000 0.00000000 -1.18749240 69 0.00000000 0.00000000 0.68910449 0.11991268 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -0.98849467 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 -0.02027083 0.00903820 0.00000000 0.00000000 0.00000000 6 0.00903820 0.02027083 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 0.05123353 -0.02284360 0.00000000 0.00000000 0.00000000 9 -0.02284360 -0.05123353 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.02142594 -0.00955323 0.00000000 0.00000000 0.00000000 12 -0.00955323 -0.02142594 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.02039098 -0.74588209 -0.01469321 15 0.00000000 0.00000000 0.86127045 0.02354548 -0.86895620 16 0.77735859 -0.34660252 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.02039098 0.74588209 0.01469321 18 -0.34660252 -0.77735859 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 -0.00969360 0.35458219 0.00735092 21 0.00000000 0.00000000 -0.40943624 -0.01119320 0.43473308 22 -0.34480657 0.15373964 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00969360 -0.35458219 -0.00735092 24 0.15373964 0.34480657 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 -0.05861913 0.02613664 0.00000000 0.00000000 0.00000000 27 0.01168866 0.02621527 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00039517 -0.01445498 0.00033786 29 -0.02621527 0.01168866 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.01669117 0.00045630 0.01998089 31 0.04247521 -0.01893851 0.00000000 0.00000000 0.00000000 32 0.02613664 0.05861913 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.00039517 0.01445498 -0.00033786 34 -0.01893851 -0.04247521 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 -0.02027088 0.00903822 0.00000000 0.00000000 0.00000000 41 0.00903822 0.02027088 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 0.05123376 -0.02284370 0.00000000 0.00000000 0.00000000 44 -0.02284370 -0.05123376 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.02142588 -0.00955320 0.00000000 0.00000000 0.00000000 47 -0.00955320 -0.02142588 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.02039102 -0.74588340 0.01469318 50 0.00000000 0.00000000 0.86127197 0.02354552 0.86895470 51 -0.77735885 0.34660264 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.02039102 0.74588340 -0.01469318 53 0.34660264 0.77735885 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.00969361 0.35458285 -0.00735090 56 0.00000000 0.00000000 -0.40943700 -0.01119322 -0.43473237 57 0.34480673 -0.15373971 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.00969361 -0.35458285 0.00735090 59 -0.15373971 -0.34480673 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 -0.05861920 0.02613667 0.00000000 0.00000000 0.00000000 62 0.01168867 0.02621530 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.00039517 0.01445494 0.00033786 64 -0.02621530 0.01168867 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 -0.01669113 -0.00045630 0.01998093 66 0.04247511 -0.01893847 0.00000000 0.00000000 0.00000000 67 0.02613667 0.05861920 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.00039517 -0.01445494 -0.00033786 69 -0.01893847 -0.04247511 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 -0.05339700 0.00000000 0.00000000 3.13505524 2 0.00000000 0.06355948 0.00000000 0.00000000 -0.39256064 3 0.00000000 0.09094139 0.00000000 0.00000000 -3.08707006 4 0.00000000 0.03797811 0.00000000 0.00000000 -0.80641137 5 0.00000000 0.00000000 0.03048666 0.08232011 0.00000000 6 0.00000000 0.00000000 0.08232011 -0.03048666 0.00000000 7 0.00000000 0.32914302 0.00000000 0.00000000 0.12484975 8 0.00000000 0.00000000 -0.11859044 -0.32021799 0.00000000 9 0.00000000 0.00000000 -0.32021799 0.11859044 0.00000000 10 0.00000000 -1.37122850 0.00000000 0.00000000 0.25515294 11 0.00000000 0.00000000 0.05231529 0.14126179 0.00000000 12 0.00000000 0.00000000 0.14126179 -0.05231529 0.00000000 13 0.00000000 0.18497488 0.00000000 0.00000000 -0.75601343 14 -0.75253815 0.40334118 0.00000000 0.00000000 -0.54140614 15 0.01696626 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.30949921 -0.83571000 0.00000000 17 0.75253815 0.40334118 0.00000000 0.00000000 -0.54140614 18 0.00000000 0.00000000 -0.83571000 0.30949921 0.00000000 19 0.00000000 -0.90353684 0.00000000 0.00000000 0.80978851 20 0.37648989 -0.27232130 0.00000000 0.00000000 0.72573540 21 -0.00848811 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.18618270 0.50273066 0.00000000 23 -0.37648989 -0.27232130 0.00000000 0.00000000 0.72573540 24 0.00000000 0.00000000 0.50273066 -0.18618270 0.00000000 25 0.00000000 0.36612502 0.00000000 0.00000000 -0.58927026 26 0.00000000 0.00000000 0.02213421 0.05976682 0.00000000 27 0.00000000 0.00000000 0.02672853 -0.00989872 0.00000000 28 0.01730396 0.28359456 0.00000000 0.00000000 0.10831093 29 0.00000000 0.00000000 0.00989872 0.02672853 0.00000000 30 -0.00039012 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.06384295 0.17238879 0.00000000 32 0.00000000 0.00000000 0.05976682 -0.02213421 0.00000000 33 -0.01730396 0.28359456 0.00000000 0.00000000 0.10831093 34 0.00000000 0.00000000 0.17238879 -0.06384295 0.00000000 35 0.00000000 0.62563984 0.00000000 0.00000000 -0.39160811 36 0.00000000 -0.05339736 0.00000000 0.00000000 -3.13505632 37 0.00000000 0.06355953 0.00000000 0.00000000 0.39256086 38 0.00000000 0.09094177 0.00000000 0.00000000 3.08707077 39 0.00000000 0.03797820 0.00000000 0.00000000 0.80641166 40 0.00000000 0.00000000 -0.03048668 -0.08232014 0.00000000 41 0.00000000 0.00000000 -0.08232014 0.03048668 0.00000000 42 0.00000000 -0.32914301 0.00000000 0.00000000 0.12484972 43 0.00000000 0.00000000 0.11859048 0.32021811 0.00000000 44 0.00000000 0.00000000 0.32021811 -0.11859048 0.00000000 45 0.00000000 1.37122859 0.00000000 0.00000000 0.25515313 46 0.00000000 0.00000000 -0.05231530 -0.14126181 0.00000000 47 0.00000000 0.00000000 -0.14126181 0.05231530 0.00000000 48 0.00000000 -0.18497499 0.00000000 0.00000000 -0.75601343 49 0.75253684 0.40334124 0.00000000 0.00000000 0.54140614 50 -0.01696623 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.30949912 -0.83570974 0.00000000 52 -0.75253684 0.40334124 0.00000000 0.00000000 0.54140614 53 0.00000000 0.00000000 -0.83570974 0.30949912 0.00000000 54 0.00000000 -0.90353695 0.00000000 0.00000000 -0.80978834 55 -0.37648928 -0.27232139 0.00000000 0.00000000 -0.72573545 56 0.00848809 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.18618266 0.50273055 0.00000000 58 0.37648928 -0.27232139 0.00000000 0.00000000 -0.72573545 59 0.00000000 0.00000000 0.50273055 -0.18618266 0.00000000 60 0.00000000 0.36612512 0.00000000 0.00000000 0.58927015 61 0.00000000 0.00000000 -0.02213423 -0.05976687 0.00000000 62 0.00000000 0.00000000 -0.02672856 0.00989873 0.00000000 63 0.01730399 -0.28359454 0.00000000 0.00000000 0.10831089 64 0.00000000 0.00000000 -0.00989873 -0.02672856 0.00000000 65 -0.00039013 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 -0.06384297 -0.17238884 0.00000000 67 0.00000000 0.00000000 -0.05976687 0.02213423 0.00000000 68 -0.01730399 -0.28359454 0.00000000 0.00000000 0.10831089 69 0.00000000 0.00000000 -0.17238884 0.06384297 0.00000000 70 0.00000000 -0.62563995 0.00000000 0.00000000 -0.39160824 61 62 63 64 65 1 10.38793712 -0.00000000 0.00000000 6.26084438 0.00000000 2 -2.32373457 0.00000000 0.00000000 -1.31256312 0.00000000 3 -6.84634347 0.00000000 -0.00000000 -4.27049677 0.00000000 4 -2.78398068 0.00000000 0.00000000 -1.45294919 0.00000000 5 0.00000000 -0.85540631 0.35437547 -0.00000000 0.06774068 6 0.00000000 0.35437547 0.85540631 0.00000000 1.06267647 7 0.12124959 -0.00000000 0.00000000 0.99161363 0.00000000 8 0.00000000 5.78528137 -2.39671114 0.00000000 -0.42892335 9 0.00000000 -2.39671114 -5.78528137 0.00000000 -6.72870080 10 -0.70297174 0.00000000 -0.00000000 -5.82529397 0.00000000 11 0.00000000 -0.40563224 0.16804426 0.00000000 0.03470142 12 0.00000000 0.16804426 0.40563224 0.00000000 0.54437568 13 0.06355912 0.00000000 0.00000000 0.53592805 0.00000000 14 -0.44089307 0.00000000 0.00000000 -0.25750655 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00618287 -0.00256142 0.00000000 0.00017983 17 -0.44089307 0.00000000 0.00000000 -0.25750655 0.00000000 18 0.00000000 -0.00256142 -0.00618287 0.00000000 0.00282103 19 -0.37489648 0.00000000 0.00000000 -0.29662196 0.00000000 20 0.70013418 0.00000000 0.00000000 0.42981246 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 -0.00518192 0.00214675 0.00000000 0.00000559 23 0.70013418 0.00000000 0.00000000 0.42981246 0.00000000 24 0.00000000 0.00214675 0.00518192 0.00000000 0.00008775 25 0.64220690 0.00000000 0.00000000 0.39433936 0.00000000 26 0.00000000 -3.24701852 1.34516629 -0.00000000 0.23912121 27 0.00000000 0.60157665 1.45211083 0.00000000 1.67758535 28 0.20585312 -0.00000000 0.00000000 1.43546714 0.00000000 29 0.00000000 -1.45211083 0.60157665 -0.00000000 0.10693825 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 -1.48028367 0.61324802 -0.00000000 0.10481120 32 0.00000000 1.34516629 3.24701852 0.00000000 3.75119487 33 0.20585312 -0.00000000 0.00000000 1.43546714 0.00000000 34 0.00000000 0.61324802 1.48028367 0.00000000 1.64421739 35 0.35385647 -0.00000000 0.00000000 3.12855425 0.00000000 36 10.38794806 0.00000000 -0.00000000 -6.26082968 0.00000000 37 -2.32373690 -0.00000000 0.00000000 1.31255984 0.00000000 38 -6.84635074 -0.00000000 0.00000000 4.27048712 0.00000000 39 -2.78398332 -0.00000000 0.00000000 1.45294524 0.00000000 40 0.00000000 -0.85540941 0.35437676 -0.00000000 -0.06774050 41 0.00000000 0.35437676 0.85540941 0.00000000 -1.06267361 42 -0.12125050 -0.00000000 0.00000000 0.99161381 0.00000000 43 0.00000000 5.78530093 -2.39671924 0.00000000 0.42892211 44 0.00000000 -2.39671924 -5.78530093 0.00000000 6.72868136 45 0.70297766 0.00000000 -0.00000000 -5.82529509 0.00000000 46 0.00000000 -0.40563382 0.16804491 0.00000000 -0.03470133 47 0.00000000 0.16804491 0.40563382 0.00000000 -0.54437432 48 -0.06355982 0.00000000 0.00000000 0.53592812 0.00000000 49 -0.44089346 0.00000000 0.00000000 0.25750593 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 -0.00618286 0.00256142 0.00000000 0.00017983 52 -0.44089346 0.00000000 0.00000000 0.25750593 0.00000000 53 0.00000000 0.00256142 0.00618286 0.00000000 0.00282105 54 -0.37489722 0.00000000 0.00000000 0.29662139 0.00000000 55 0.70013481 0.00000000 0.00000000 -0.42981148 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00518191 -0.00214675 0.00000000 0.00000559 58 0.70013481 0.00000000 0.00000000 -0.42981148 0.00000000 59 0.00000000 -0.00214675 -0.00518191 0.00000000 0.00008773 60 0.64220786 0.00000000 0.00000000 -0.39433846 0.00000000 61 0.00000000 -3.24702942 1.34517080 -0.00000000 -0.23912051 62 0.00000000 0.60157867 1.45211570 0.00000000 -1.67758046 63 -0.20585453 -0.00000000 0.00000000 1.43546736 0.00000000 64 0.00000000 -1.45211570 0.60157867 -0.00000000 -0.10693794 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 -1.48028844 0.61325000 -0.00000000 -0.10481089 67 0.00000000 1.34517080 3.24702942 0.00000000 -3.75118395 68 -0.20585453 -0.00000000 0.00000000 1.43546736 0.00000000 69 0.00000000 0.61325000 1.48028844 0.00000000 -1.64421241 70 -0.35385979 -0.00000000 0.00000000 3.12855494 0.00000000 66 67 68 69 70 1 0.00000000 0.42429259 6.96134372 54.53678858 55.53566457 2 0.00000000 0.03832506 -1.50206498 -26.44556464 -26.77592743 3 0.00000000 -0.20209972 -4.41081506 -31.99833317 -33.09045328 4 0.00000000 -0.13161459 -1.92537003 -15.43327883 -15.43314062 5 -1.06267647 0.00000000 0.00000000 0.00000000 0.00000000 6 0.06774068 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -1.06176181 -1.30709304 -0.01814127 -0.36437028 8 6.72870080 0.00000000 0.00000000 0.00000000 0.00000000 9 -0.42892335 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 6.73388306 6.19673612 0.17030548 1.22856135 11 -0.54437568 0.00000000 0.00000000 0.00000000 0.00000000 12 0.03470142 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 -0.51490464 -0.36462229 0.02371013 -0.17974206 14 0.00000000 -0.05054153 -0.22218953 3.53684488 3.57037214 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00282103 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.05054153 -0.22218953 3.53684488 3.57037214 18 0.00017983 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.12360266 -0.68631393 3.53679736 3.51373360 20 0.00000000 0.01554954 0.27950009 3.29755155 3.38371524 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00008775 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.01554954 0.27950009 3.29755155 3.38371524 24 0.00000559 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.01440223 0.91876405 3.22145029 3.56956810 26 -3.75119487 0.00000000 0.00000000 0.00000000 0.00000000 27 0.10693825 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 -1.64763081 -1.61368287 -0.00970910 -0.31692116 29 -1.67758535 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.64421739 0.00000000 0.00000000 0.00000000 0.00000000 32 0.23912121 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 -1.64763081 -1.61368287 -0.00970910 -0.31692116 34 0.10481120 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -3.80150492 -3.00621023 -0.15589161 -0.46507999 36 0.00000000 0.42432936 -6.96133782 54.53680107 -55.53565231 37 0.00000000 0.03831710 1.50206434 -26.44557066 26.77592149 38 0.00000000 -0.20212306 4.41081159 -31.99834061 33.09044608 39 0.00000000 -0.13162468 1.92536836 -15.43328230 15.43313715 40 1.06267361 0.00000000 0.00000000 0.00000000 0.00000000 41 -0.06774050 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 1.06176815 -1.30708775 0.01814135 -0.36437027 43 -6.72868136 0.00000000 0.00000000 0.00000000 0.00000000 44 0.42892211 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 -6.73391263 6.19670253 -0.17030574 1.22856130 46 0.54437432 0.00000000 0.00000000 0.00000000 0.00000000 47 -0.03470133 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.51490629 -0.36461973 -0.02371009 -0.17974206 49 0.00000000 -0.05054270 0.22218911 3.53684568 -3.57037134 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00282105 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.05054270 0.22218911 3.53684568 -3.57037134 53 0.00017983 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.12360624 0.68631316 3.53679815 -3.51373280 55 0.00000000 0.01555104 -0.27949977 3.29755231 -3.38371450 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.00008773 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.01555104 -0.27949977 3.29755231 -3.38371450 59 0.00000559 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 -0.01439744 -0.91876390 3.22145109 -3.56956737 61 3.75118395 0.00000000 0.00000000 0.00000000 0.00000000 62 -0.10693794 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 1.64763854 -1.61367466 0.00970917 -0.31692115 64 1.67758046 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.64421241 0.00000000 0.00000000 0.00000000 0.00000000 67 -0.23912051 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 1.64763854 -1.61367466 0.00970917 -0.31692115 69 -0.10481089 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 3.80151916 -3.00619126 0.15589170 -0.46507994 ----------------------------------------- UHF spin-down orbital coefficients ----------------------------------------- 1 2 3 4 5 1 0.51338167 0.53089719 -0.04063323 -0.13131755 0.00000000 2 0.00038474 0.04178449 -0.25283437 0.28427090 0.00000000 3 -0.45392000 -0.72074411 2.09762738 -2.14457055 0.00000000 4 0.42044028 1.15217227 -1.16073847 1.85085629 0.00000000 5 0.00000000 0.00000000 0.00000000 0.00000000 0.52266521 6 0.00000000 0.00000000 0.00000000 0.00000000 -0.00010002 7 -0.00499830 0.03050783 0.09092855 0.09691796 0.00000000 8 0.00000000 0.00000000 0.00000000 0.00000000 -1.89934466 9 0.00000000 0.00000000 0.00000000 0.00000000 0.00036345 10 0.02219173 -0.11723662 -0.32592482 -0.35396105 0.00000000 11 0.00000000 0.00000000 0.00000000 0.00000000 0.98642238 12 0.00000000 0.00000000 0.00000000 0.00000000 -0.00018876 13 0.00216886 0.05104478 0.16103824 0.17790116 0.00000000 14 0.00539337 0.00716929 -0.01852604 0.01540492 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00070152 17 0.00539337 0.00716929 -0.01852604 0.01540492 0.00000000 18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000013 19 0.00481403 0.00767724 -0.01510026 0.01732846 0.00000000 20 0.04225878 0.07485960 -0.22169417 0.22750849 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00219722 23 0.04225878 0.07485960 -0.22169417 0.22750849 0.00000000 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000042 25 0.04848797 0.07069771 -0.25144026 0.21879278 0.00000000 26 0.00000000 0.00000000 0.00000000 0.00000000 0.76521081 27 0.00000000 0.00000000 0.00000000 0.00000000 -0.00006548 28 -0.00371795 0.02122082 0.05876291 0.06508218 0.00000000 29 0.00000000 0.00000000 0.00000000 0.00000000 0.34221268 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.33806831 32 0.00000000 0.00000000 0.00000000 0.00000000 -0.00014643 33 -0.00371795 0.02122082 0.05876291 0.06508218 0.00000000 34 0.00000000 0.00000000 0.00000000 0.00000000 -0.00006469 35 -0.00731530 0.04551397 0.12660833 0.14028078 0.00000000 36 0.51338179 -0.53089731 -0.04063321 0.13131765 0.00000000 37 0.00038473 -0.04178446 -0.25283445 -0.28427068 0.00000000 38 -0.45391981 0.72074376 2.09762836 2.14456924 0.00000000 39 0.42043998 -1.15217195 -1.16073964 -1.85085578 0.00000000 40 0.00000000 0.00000000 0.00000000 0.00000000 0.52266509 41 0.00000000 0.00000000 0.00000000 0.00000000 -0.00010002 42 0.00499829 0.03050793 -0.09092850 0.09691802 0.00000000 43 0.00000000 0.00000000 0.00000000 0.00000000 -1.89934421 44 0.00000000 0.00000000 0.00000000 0.00000000 0.00036345 45 -0.02219172 -0.11723695 0.32592461 -0.35396128 0.00000000 46 0.00000000 0.00000000 0.00000000 0.00000000 0.98642218 47 0.00000000 0.00000000 0.00000000 0.00000000 -0.00018876 48 -0.00216892 0.05104494 -0.16103820 0.17790120 0.00000000 49 0.00539337 -0.00716928 -0.01852605 -0.01540491 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00070152 52 0.00539337 -0.00716928 -0.01852605 -0.01540491 0.00000000 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000013 54 0.00481403 -0.00767724 -0.01510027 -0.01732845 0.00000000 55 0.04225876 -0.07485957 -0.22169427 -0.22750835 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00219720 58 0.04225876 -0.07485957 -0.22169427 -0.22750835 0.00000000 59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000042 60 0.04848795 -0.07069766 -0.25144036 -0.21879263 0.00000000 61 0.00000000 0.00000000 0.00000000 0.00000000 0.76521064 62 0.00000000 0.00000000 0.00000000 0.00000000 -0.00006548 63 0.00371795 0.02122088 -0.05876287 0.06508222 0.00000000 64 0.00000000 0.00000000 0.00000000 0.00000000 0.34221260 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.33806824 67 0.00000000 0.00000000 0.00000000 0.00000000 -0.00014643 68 0.00371795 0.02122088 -0.05876287 0.06508222 0.00000000 69 0.00000000 0.00000000 0.00000000 0.00000000 -0.00006469 70 0.00731529 0.04551410 -0.12660826 0.14028087 0.00000000 6 7 8 9 10 1 0.00000000 0.03559713 0.00000000 0.00000000 -0.32891750 2 0.00000000 0.09071171 0.00000000 0.00000000 0.06745815 3 0.00000000 -0.84174465 0.00000000 0.00000000 -0.02847723 4 0.00000000 0.31902667 0.00000000 0.00000000 -0.84926098 5 0.00010002 0.00000000 -0.53785758 0.25288624 0.00000000 6 0.52266521 0.00000000 -0.25288624 -0.53785758 0.00000000 7 0.00000000 0.49561263 0.00000000 0.00000000 -0.77267626 8 -0.00036345 0.00000000 1.96462905 -0.92371602 0.00000000 9 -1.89934466 0.00000000 0.92371602 1.96462905 0.00000000 10 0.00000000 -1.80206799 0.00000000 0.00000000 2.85624506 11 0.00018876 0.00000000 -1.12244374 0.52774302 0.00000000 12 0.98642238 0.00000000 -0.52774302 -1.12244374 0.00000000 13 0.00000000 0.96402017 0.00000000 0.00000000 -2.06727585 14 0.00000000 0.00556005 0.00000000 0.00000000 -0.00668525 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000013 0.00000000 -0.00082012 0.00038560 0.00000000 17 0.00000000 0.00556005 0.00000000 0.00000000 -0.00668525 18 0.00070152 0.00000000 -0.00038560 -0.00082012 0.00000000 19 0.00000000 0.00949846 0.00000000 0.00000000 -0.00174526 20 0.00000000 0.09578944 0.00000000 0.00000000 0.00411135 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.00000042 0.00000000 0.00474439 -0.00223068 0.00000000 23 0.00000000 0.09578944 0.00000000 0.00000000 0.00411135 24 -0.00219722 0.00000000 0.00223068 0.00474439 0.00000000 25 0.00000000 0.04375243 0.00000000 0.00000000 -0.05435772 26 0.00014643 0.00000000 -0.77998779 0.36672939 0.00000000 27 0.34221268 0.00000000 -0.16400637 -0.34882114 0.00000000 28 0.00000000 0.31949113 0.00000000 0.00000000 -0.49356561 29 0.00006548 0.00000000 -0.34882114 0.16400637 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00006469 0.00000000 -0.35268387 0.16582252 0.00000000 32 0.76521081 0.00000000 -0.36672939 -0.77998779 0.00000000 33 0.00000000 0.31949113 0.00000000 0.00000000 -0.49356561 34 0.33806831 0.00000000 -0.16582252 -0.35268387 0.00000000 35 0.00000000 0.71246371 0.00000000 0.00000000 -1.12314232 36 0.00000000 0.03559695 0.00000000 0.00000000 0.32891745 37 0.00000000 0.09071170 0.00000000 0.00000000 -0.06745811 38 0.00000000 -0.84174461 0.00000000 0.00000000 0.02847700 39 0.00000000 0.31902650 0.00000000 0.00000000 0.84926110 40 0.00010002 0.00000000 0.53785761 -0.25288626 0.00000000 41 0.52266509 0.00000000 0.25288626 0.53785761 0.00000000 42 0.00000000 -0.49561246 0.00000000 0.00000000 -0.77267631 43 -0.00036345 0.00000000 -1.96462915 0.92371607 0.00000000 44 -1.89934421 0.00000000 -0.92371607 -1.96462915 0.00000000 45 0.00000000 1.80206735 0.00000000 0.00000000 2.85624520 46 0.00018876 0.00000000 1.12244383 -0.52774306 0.00000000 47 0.98642218 0.00000000 0.52774306 1.12244383 0.00000000 48 0.00000000 -0.96401977 0.00000000 0.00000000 -2.06727598 49 0.00000000 0.00556005 0.00000000 0.00000000 0.00668526 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00000013 0.00000000 -0.00082011 0.00038559 0.00000000 52 0.00000000 0.00556005 0.00000000 0.00000000 0.00668526 53 -0.00070152 0.00000000 -0.00038559 -0.00082011 0.00000000 54 0.00000000 0.00949846 0.00000000 0.00000000 0.00174526 55 0.00000000 0.09578943 0.00000000 0.00000000 -0.00411134 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000042 0.00000000 0.00474436 -0.00223067 0.00000000 58 0.00000000 0.09578943 0.00000000 0.00000000 -0.00411134 59 0.00219720 0.00000000 0.00223067 0.00474436 0.00000000 60 0.00000000 0.04375243 0.00000000 0.00000000 0.05435776 61 0.00014643 0.00000000 0.77998783 -0.36672941 0.00000000 62 0.34221260 0.00000000 0.16400638 0.34882116 0.00000000 63 0.00000000 -0.31949102 0.00000000 0.00000000 -0.49356564 64 0.00006548 0.00000000 0.34882116 -0.16400638 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00006469 0.00000000 0.35268389 -0.16582253 0.00000000 67 0.76521064 0.00000000 0.36672941 0.77998783 0.00000000 68 0.00000000 -0.31949102 0.00000000 0.00000000 -0.49356564 69 0.33806824 0.00000000 0.16582253 0.35268389 0.00000000 70 0.00000000 -0.71246346 0.00000000 0.00000000 -1.12314239 11 12 13 14 15 1 -2.12251814 2.02708722 0.10749007 0.00000000 0.00000000 2 -0.90641130 1.13889778 -0.00755685 0.00000000 0.00000000 3 4.65321226 -5.39606718 0.08108172 0.00000000 0.00000000 4 -0.29593576 0.60218477 -0.07831471 0.00000000 0.00000000 5 0.00000000 0.00000000 0.00000000 -1.38158884 -0.42060880 6 0.00000000 0.00000000 0.00000000 0.42060880 -1.38158884 7 0.08031485 -0.17791350 1.33453261 0.00000000 0.00000000 8 0.00000000 0.00000000 0.00000000 5.18934591 1.57983654 9 0.00000000 0.00000000 0.00000000 -1.57983654 5.18934591 10 -0.29115502 0.69426843 -5.02649874 0.00000000 0.00000000 11 0.00000000 0.00000000 0.00000000 -0.93993568 -0.28615258 12 0.00000000 0.00000000 0.00000000 0.28615258 -0.93993568 13 -0.02343956 -0.67418789 0.98760180 0.00000000 0.00000000 14 -0.04785065 0.03907401 -0.01851969 0.00000000 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 -0.05442055 -0.01656771 17 -0.04785065 0.03907401 -0.01851969 0.00000000 0.00000000 18 0.00000000 0.00000000 0.00000000 0.01656771 -0.05442055 19 -0.03422561 0.04770242 0.03228354 0.00000000 0.00000000 20 -0.68238191 0.79040637 0.08494888 0.00000000 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.36934195 0.11244190 23 -0.68238191 0.79040637 0.08494888 0.00000000 0.00000000 24 0.00000000 0.00000000 0.00000000 -0.11244190 0.36934195 25 -0.80403212 0.72391171 -0.41894633 0.00000000 0.00000000 26 0.00000000 0.00000000 0.00000000 -2.05219819 -0.62476808 27 0.00000000 0.00000000 0.00000000 0.27940478 -0.91777093 28 0.05469608 -0.10498997 0.87416430 0.00000000 0.00000000 29 0.00000000 0.00000000 0.00000000 -0.91777093 -0.27940478 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 -0.89425755 -0.27224640 32 0.00000000 0.00000000 0.00000000 0.62476808 -2.05219819 33 0.05469608 -0.10498997 0.87416430 0.00000000 0.00000000 34 0.00000000 0.00000000 0.00000000 0.27224640 -0.89425755 35 0.10237534 -0.26603903 1.93379873 0.00000000 0.00000000 36 -2.12252095 -2.02708424 0.10749022 0.00000000 0.00000000 37 -0.90641291 -1.13889651 -0.00755681 0.00000000 0.00000000 38 4.65321984 5.39606064 0.08108153 0.00000000 0.00000000 39 -0.29593665 -0.60218439 -0.07831468 0.00000000 0.00000000 40 0.00000000 0.00000000 0.00000000 -1.38158985 -0.42060910 41 0.00000000 0.00000000 0.00000000 0.42060910 -1.38158985 42 -0.08031514 -0.17791344 -1.33453266 0.00000000 0.00000000 43 0.00000000 0.00000000 0.00000000 5.18934976 1.57983771 44 0.00000000 0.00000000 0.00000000 -1.57983771 5.18934976 45 0.29115619 0.69426822 5.02649899 0.00000000 0.00000000 46 0.00000000 0.00000000 0.00000000 -0.93993651 -0.28615283 47 0.00000000 0.00000000 0.00000000 0.28615283 -0.93993651 48 0.02343855 -0.67418797 -0.98760193 0.00000000 0.00000000 49 -0.04785070 -0.03907394 -0.01851969 0.00000000 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.05442056 0.01656771 52 -0.04785070 -0.03907394 -0.01851969 0.00000000 0.00000000 53 0.00000000 0.00000000 0.00000000 -0.01656771 0.05442056 54 -0.03422568 -0.04770237 0.03228354 0.00000000 0.00000000 55 -0.68238298 -0.79040538 0.08494891 0.00000000 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 -0.36934205 -0.11244193 58 -0.68238298 -0.79040538 0.08494891 0.00000000 0.00000000 59 0.00000000 0.00000000 0.00000000 0.11244193 -0.36934205 60 -0.80403309 -0.72391055 -0.41894635 0.00000000 0.00000000 61 0.00000000 0.00000000 0.00000000 -2.05219967 -0.62476853 62 0.00000000 0.00000000 0.00000000 0.27940498 -0.91777159 63 -0.05469626 -0.10498992 -0.87416434 0.00000000 0.00000000 64 0.00000000 0.00000000 0.00000000 -0.91777159 -0.27940498 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 -0.89425821 -0.27224660 67 0.00000000 0.00000000 0.00000000 0.62476853 -2.05219967 68 -0.05469626 -0.10498992 -0.87416434 0.00000000 0.00000000 69 0.00000000 0.00000000 0.00000000 0.27224660 -0.89425821 70 -0.10237578 -0.26603895 -1.93379881 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 0.69822479 0.25258691 -1.27434230 -1.01778336 0.00000000 6 -0.25258691 0.69822479 -1.01778336 1.27434230 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -2.65234109 -0.95949993 4.83097224 3.85836926 0.00000000 9 0.95949993 -2.65234109 3.85836926 -4.83097224 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 0.39597454 0.14324611 -0.98379510 -0.78573103 0.00000000 12 -0.14324611 0.39597454 -0.78573103 0.98379510 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.00000000 0.00000000 -0.09366664 15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00028053 16 -0.08254774 -0.02986213 -0.00651850 -0.00520615 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.09366664 18 0.02986213 -0.08254774 -0.00520615 0.00651850 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 0.00000000 0.00000000 0.65476613 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00196104 22 0.56744791 0.20527761 0.04728623 0.03776626 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 -0.65476613 24 -0.20527761 0.56744791 0.03776626 -0.04728623 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 1.02790025 0.37184894 -1.87127652 -1.49453887 0.00000000 27 -0.16629590 0.45969097 -0.66837810 0.83686030 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 0.00600288 29 0.45969097 0.16629590 -0.83686030 -0.66837810 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00001798 31 0.47046021 0.17019174 -0.84757073 -0.67693224 0.00000000 32 -0.37184894 1.02790025 -1.49453887 1.87127652 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00600288 34 -0.17019174 0.47046021 -0.67693224 0.84757073 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 0.69822377 0.25258654 1.27434184 1.01778300 0.00000000 41 -0.25258654 0.69822377 1.01778300 -1.27434184 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -2.65233728 -0.95949855 -4.83097057 -3.85836793 0.00000000 44 0.95949855 -2.65233728 -3.85836793 4.83097057 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 0.39597375 0.14324583 0.98379479 0.78573078 0.00000000 47 -0.14324583 0.39597375 0.78573078 -0.98379479 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.00000000 0.00000000 -0.09366666 50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00028053 51 0.08254774 0.02986213 -0.00651842 -0.00520609 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.09366666 53 -0.02986213 0.08254774 -0.00520609 0.00651842 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 0.00000000 0.00000000 0.65476628 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00196104 57 -0.56744792 -0.20527761 0.04728573 0.03776586 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 -0.65476628 59 0.20527761 -0.56744792 0.03776586 -0.04728573 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 1.02789876 0.37184840 1.87127583 1.49453832 0.00000000 62 -0.16629566 0.45969030 0.66837786 -0.83685999 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00600288 64 0.45969030 0.16629566 0.83685999 0.66837786 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001798 66 0.47045955 0.17019150 0.84757045 0.67693201 0.00000000 67 -0.37184840 1.02789876 1.49453832 -1.87127583 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 0.00600288 69 -0.17019150 0.47045955 0.67693201 -0.84757045 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 21 22 23 24 25 1 0.00000000 0.22500643 0.00000000 0.00000000 -0.05445719 2 0.00000000 -0.07584982 0.00000000 0.00000000 -0.03730623 3 0.00000000 -0.17953292 0.00000000 0.00000000 -0.35582574 4 0.00000000 0.60508837 0.00000000 0.00000000 0.15510010 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 1.73561573 0.00000000 0.00000000 1.12912255 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 -6.66290006 0.00000000 0.00000000 -4.29076076 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 1.92861092 0.00000000 0.00000000 0.82472731 14 0.00024295 0.01473481 -0.09053256 -0.00016386 0.04034880 15 -0.10815692 0.00000000 -0.00018921 0.10453800 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00024295 0.01473481 0.09053256 0.00016386 0.04034880 18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00272247 0.00000000 0.00000000 -0.06975884 20 -0.00169831 0.01326241 0.66856601 0.00121005 -0.22622503 21 0.75605880 0.00000000 0.00139725 -0.77199353 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00169831 0.01326241 -0.66856601 -0.00121005 -0.22622503 24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 0.20706850 0.00000000 0.00000000 0.67338316 26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 28 -0.00001557 1.12347623 -0.00444686 -0.00000805 0.74952295 29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00693152 0.00000000 -0.00000929 0.00513479 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 0.00001557 1.12347623 0.00444686 0.00000805 0.74952295 34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 2.55700575 0.00000000 0.00000000 1.64593964 36 0.00000000 -0.22500656 0.00000000 0.00000000 -0.05445711 37 0.00000000 0.07584976 0.00000000 0.00000000 -0.03730618 38 0.00000000 0.17953303 0.00000000 0.00000000 -0.35582591 39 0.00000000 -0.60508834 0.00000000 0.00000000 0.15510015 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 1.73561543 0.00000000 0.00000000 -1.12912269 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 -6.66289900 0.00000000 0.00000000 4.29076136 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 1.92861077 0.00000000 0.00000000 -0.82472745 49 0.00024295 -0.01473481 0.09053253 0.00016386 0.04034880 50 -0.10815694 0.00000000 0.00018921 -0.10453796 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00024295 -0.01473481 -0.09053253 -0.00016386 0.04034880 53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.00272247 0.00000000 0.00000000 -0.06975883 55 -0.00169831 -0.01326244 -0.66856586 -0.00121005 -0.22622499 56 0.75605898 0.00000000 -0.00139725 0.77199335 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00169831 -0.01326244 0.66856586 0.00121005 -0.22622499 59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 -0.20706845 0.00000000 0.00000000 0.67338316 61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00001557 1.12347603 -0.00444685 -0.00000805 -0.74952303 64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 65 -0.00693153 0.00000000 -0.00000929 0.00513478 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 -0.00001557 1.12347603 0.00444685 0.00000805 -0.74952303 69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 2.55700532 0.00000000 0.00000000 -1.64593987 26 27 28 29 30 1 0.00000000 0.00000000 1.25860921 0.86196029 -0.73690086 2 0.00000000 0.00000000 -0.18217488 0.47484826 0.39282003 3 0.00000000 0.00000000 -4.10315129 -4.38603263 2.36688620 4 0.00000000 0.00000000 0.23982533 0.27249863 -0.48571448 5 -0.11470003 0.33781637 0.00000000 0.00000000 0.00000000 6 -0.33781637 -0.11470003 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 -0.08959486 -0.36155149 -0.38631296 8 0.43302162 -1.27534226 0.00000000 0.00000000 0.00000000 9 1.27534226 0.43302162 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.28367410 1.34032439 1.29773028 11 -0.14567274 0.42903769 0.00000000 0.00000000 0.00000000 12 -0.42903769 -0.14567274 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 -0.00845745 -1.29450340 -0.76078414 14 0.00000000 0.00000000 0.07554987 0.00634561 -0.09340723 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.03213659 -0.09464919 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 0.07554987 0.00634561 -0.09340723 18 0.09464919 0.03213659 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.10136045 0.13899618 -0.00367142 20 0.00000000 0.00000000 1.38184061 1.47592513 -0.62213401 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 -0.26993735 0.79502383 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 1.38184061 1.47592513 -0.62213401 24 -0.79502383 -0.26993735 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 1.17634865 0.09001419 -1.56950124 26 -0.17184230 0.50611272 0.00000000 0.00000000 0.00000000 27 -0.22634049 -0.07685021 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 -0.07298028 -0.24340729 -0.28859317 29 -0.07685021 0.22634049 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -0.06489444 0.19112814 0.00000000 0.00000000 0.00000000 32 -0.50611272 -0.17184230 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.07298028 -0.24340729 -0.28859317 34 -0.19112814 -0.06489444 0.00000000 0.00000000 0.00000000 35 0.00000000 0.00000000 -0.09151134 -0.48174263 -0.50004352 36 0.00000000 0.00000000 1.25861244 -0.86195587 0.73690027 37 0.00000000 0.00000000 -0.18217331 -0.47484894 -0.39281990 38 0.00000000 0.00000000 -4.10316754 4.38601841 -2.36688462 39 0.00000000 0.00000000 0.23982651 -0.27249782 0.48571443 40 0.11470006 -0.33781647 0.00000000 0.00000000 0.00000000 41 0.33781647 0.11470006 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.08959604 -0.36155129 -0.38631306 43 -0.43302176 1.27534265 0.00000000 0.00000000 0.00000000 44 -1.27534265 -0.43302176 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 -0.28367846 1.34032376 1.29773068 46 0.14567276 -0.42903775 0.00000000 0.00000000 0.00000000 47 0.42903775 0.14567276 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00846166 -1.29450342 -0.76078419 49 0.00000000 0.00000000 0.07554993 -0.00634535 0.09340720 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.03213658 -0.09464918 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 0.07554993 -0.00634535 0.09340720 53 0.09464918 0.03213658 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.10136094 -0.13899582 0.00367140 55 0.00000000 0.00000000 1.38184600 -1.47592034 0.62213347 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.26993735 0.79502382 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 1.38184600 -1.47592034 0.62213347 59 -0.79502382 -0.26993735 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 1.17634960 -0.09001011 1.56950079 61 0.17184235 -0.50611286 0.00000000 0.00000000 0.00000000 62 0.22634055 0.07685024 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 0.07298106 -0.24340709 -0.28859324 64 0.07685024 -0.22634055 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.06489446 -0.19112822 0.00000000 0.00000000 0.00000000 67 0.50611286 0.17184235 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.07298106 -0.24340709 -0.28859324 69 0.19112822 0.06489446 0.00000000 0.00000000 0.00000000 70 0.00000000 0.00000000 0.09151292 -0.48174247 -0.50004367 31 32 33 34 35 1 0.00000000 0.00000000 0.00000000 0.00000000 0.24856892 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.07390230 3 0.00000000 0.00000000 0.00000000 0.00000000 -0.53217143 4 0.00000000 0.00000000 0.00000000 0.00000000 0.01558455 5 2.66080554 0.91907846 -0.82936871 2.89960660 0.00000000 6 -0.91907846 2.66080554 -2.89960660 -0.82936871 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 2.74100167 8 -8.26733731 -2.85565087 2.59615148 -9.07656368 0.00000000 9 2.85565087 -8.26733731 9.07656368 2.59615148 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -8.45470385 11 0.78786747 0.27214015 -0.28905937 1.01059810 0.00000000 12 -0.27214015 0.78786747 -1.01059810 -0.28905937 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.87668880 14 0.00000000 0.00000000 0.00000000 0.00000000 0.02768930 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00272661 0.00094181 -0.00114447 0.00400125 0.00000000 17 0.00000000 0.00000000 0.00000000 0.00000000 0.02768930 18 -0.00094181 0.00272661 -0.00400125 -0.00114447 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.01808123 20 0.00000000 0.00000000 0.00000000 0.00000000 0.05556154 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.01353792 0.00467618 -0.00628795 0.02198368 0.00000000 23 0.00000000 0.00000000 0.00000000 0.00000000 0.05556154 24 -0.00467618 0.01353792 -0.02198368 -0.00628795 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.23978685 26 4.02597215 1.39062560 -1.23474941 4.31688278 0.00000000 27 -0.62190667 1.80046948 -1.93056867 -0.55219672 0.00000000 28 0.00000000 0.00000000 0.00000000 0.00000000 1.85945060 29 1.80046948 0.62190667 -0.55219672 1.93056867 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 1.73961263 0.60088589 -0.56584886 1.97829874 0.00000000 32 -1.39062560 4.02597215 -4.31688278 -1.23474941 0.00000000 33 0.00000000 0.00000000 0.00000000 0.00000000 1.85945060 34 -0.60088589 1.73961263 -1.97829874 -0.56584886 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 3.99150599 36 0.00000000 0.00000000 0.00000000 0.00000000 0.24856880 37 0.00000000 0.00000000 0.00000000 0.00000000 -0.07390225 38 0.00000000 0.00000000 0.00000000 0.00000000 -0.53217139 39 0.00000000 0.00000000 0.00000000 0.00000000 0.01558470 40 2.66080731 0.91907907 0.82936825 -2.89960498 0.00000000 41 -0.91907907 2.66080731 2.89960498 0.82936825 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 -2.74100263 43 -8.26734280 -2.85565277 -2.59615003 9.07655862 0.00000000 44 2.85565277 -8.26734280 -9.07655862 -2.59615003 -0.00000000 45 0.00000000 0.00000000 -0.00000000 0.00000000 8.45470688 46 0.78786809 0.27214037 0.28905923 -1.01059763 0.00000000 47 -0.27214037 0.78786809 1.01059763 0.28905923 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 -0.87668920 49 0.00000000 0.00000000 0.00000000 0.00000000 0.02768929 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00272662 -0.00094181 -0.00114447 0.00400126 0.00000000 52 0.00000000 0.00000000 0.00000000 0.00000000 0.02768929 53 0.00094181 -0.00272662 -0.00400126 -0.00114447 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 -0.01808120 55 0.00000000 0.00000000 0.00000000 0.00000000 0.05556157 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 -0.01353793 -0.00467619 -0.00628795 0.02198367 0.00000000 58 0.00000000 0.00000000 0.00000000 0.00000000 0.05556157 59 0.00467619 -0.01353793 -0.02198367 -0.00628795 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.23978679 61 4.02597474 1.39062649 1.23474869 -4.31688029 0.00000000 62 -0.62190707 1.80047064 1.93056756 0.55219640 0.00000000 63 0.00000000 0.00000000 0.00000000 0.00000000 -1.85945120 64 1.80047064 0.62190707 0.55219640 -1.93056756 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.73961382 0.60088630 0.56584855 -1.97829767 0.00000000 67 -1.39062649 4.02597474 4.31688029 1.23474869 0.00000000 68 0.00000000 0.00000000 0.00000000 0.00000000 -1.85945120 69 -0.60088630 1.73961382 1.97829767 0.56584855 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 -3.99150742 36 37 38 39 40 1 -0.07305834 0.00000000 0.00000000 0.46952995 0.00000000 2 0.11164873 0.00000000 0.00000000 -0.25477658 0.00000000 3 0.08724310 0.00000000 0.00000000 0.09897695 0.00000000 4 0.40118812 0.00000000 0.00000000 -0.19417227 0.00000000 5 0.00000000 -0.25691451 -0.05771751 0.00000000 0.00000000 6 0.00000000 0.05771751 -0.25691451 0.00000000 0.00000000 7 3.45124374 0.00000000 0.00000000 0.77866705 0.00000000 8 0.00000000 0.75849967 0.17040187 0.00000000 0.00000000 9 0.00000000 -0.17040187 0.75849967 0.00000000 0.00000000 10 -11.01025318 0.00000000 0.00000000 -2.53871677 0.00000000 11 0.00000000 -0.06789547 -0.01525316 0.00000000 0.00000000 12 0.00000000 0.01525316 -0.06789547 0.00000000 0.00000000 13 1.43380701 0.00000000 0.00000000 0.34698658 0.00000000 14 -0.02549003 0.00000000 0.00000000 -0.00660094 0.01068883 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00003673 16 0.00000000 0.03466049 0.00778670 0.00000000 0.00000000 17 -0.02549003 0.00000000 0.00000000 -0.00660094 -0.01068883 18 0.00000000 -0.00778670 0.03466049 0.00000000 0.00000000 19 0.04495432 0.00000000 0.00000000 0.00357265 0.00000000 20 0.00871561 0.00000000 0.00000000 -0.10968157 0.00825796 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00002838 22 0.00000000 0.03558355 0.00799408 0.00000000 0.00000000 23 0.00871561 0.00000000 0.00000000 -0.10968157 -0.00825796 24 0.00000000 -0.00799408 0.03558355 0.00000000 0.00000000 25 -0.22546205 0.00000000 0.00000000 -0.12515639 0.00000000 26 0.00000000 0.06522380 0.01465295 0.00000000 0.00000000 27 0.00000000 -0.00655300 0.02916897 0.00000000 0.00000000 28 2.20705136 0.00000000 0.00000000 0.03830308 -0.61080088 29 0.00000000 0.02916897 0.00655300 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00209884 31 0.00000000 -0.90094337 -0.20240277 0.00000000 0.00000000 32 0.00000000 -0.01465295 0.06522380 0.00000000 0.00000000 33 2.20705136 0.00000000 0.00000000 0.03830308 0.61080088 34 0.00000000 0.20240277 -0.90094337 0.00000000 0.00000000 35 5.31416208 0.00000000 0.00000000 1.82914801 0.00000000 36 0.07305848 0.00000000 0.00000000 0.46952986 0.00000000 37 -0.11164876 0.00000000 0.00000000 -0.25477654 0.00000000 38 -0.08724322 0.00000000 0.00000000 0.09897694 0.00000000 39 -0.40118814 0.00000000 0.00000000 -0.19417226 0.00000000 40 0.00000000 -0.25691445 -0.05771750 0.00000000 0.00000000 41 0.00000000 0.05771750 -0.25691445 0.00000000 0.00000000 42 3.45124303 0.00000000 0.00000000 -0.77866683 0.00000000 43 0.00000000 0.75849949 0.17040183 0.00000000 0.00000000 44 0.00000000 -0.17040183 0.75849949 0.00000000 0.00000000 45 -11.01025098 0.00000000 0.00000000 2.53871604 0.00000000 46 0.00000000 -0.06789545 -0.01525315 0.00000000 0.00000000 47 0.00000000 0.01525315 -0.06789545 0.00000000 0.00000000 48 1.43380679 0.00000000 0.00000000 -0.34698647 0.00000000 49 0.02549004 0.00000000 0.00000000 -0.00660096 0.01068880 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00003673 51 0.00000000 -0.03466046 -0.00778670 0.00000000 0.00000000 52 0.02549004 0.00000000 0.00000000 -0.00660096 -0.01068880 53 0.00000000 0.00778670 -0.03466046 0.00000000 0.00000000 54 -0.04495434 0.00000000 0.00000000 0.00357268 0.00000000 55 -0.00871563 0.00000000 0.00000000 -0.10968155 0.00825796 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00002838 57 0.00000000 -0.03558356 -0.00799408 0.00000000 0.00000000 58 -0.00871563 0.00000000 0.00000000 -0.10968155 -0.00825796 59 0.00000000 0.00799408 -0.03558356 0.00000000 0.00000000 60 0.22546210 0.00000000 0.00000000 -0.12515638 0.00000000 61 0.00000000 0.06522397 0.01465299 0.00000000 0.00000000 62 0.00000000 -0.00655302 0.02916905 0.00000000 0.00000000 63 2.20705085 0.00000000 0.00000000 -0.03830289 0.61080145 64 0.00000000 0.02916905 0.00655302 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00209884 66 0.00000000 -0.90094347 -0.20240279 0.00000000 0.00000000 67 0.00000000 -0.01465299 0.06522397 0.00000000 0.00000000 68 2.20705085 0.00000000 0.00000000 -0.03830289 -0.61080145 69 0.00000000 0.20240279 -0.90094347 0.00000000 0.00000000 70 5.31416103 0.00000000 0.00000000 -1.82914774 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 0.00003181 0.00000000 0.00000000 0.00000000 0.00000000 15 -0.01234239 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 17 -0.00003181 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 0.00002457 0.00000000 0.00000000 0.00000000 0.00000000 21 -0.00953547 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 23 -0.00002457 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 0.16103114 0.53522730 0.13063903 0.54363058 27 0.00000000 0.71808278 -0.21604594 0.72935696 -0.17527065 28 -0.00181765 0.00000000 0.00000000 0.00000000 0.00000000 29 0.00000000 -0.21604594 -0.71808278 -0.17527065 -0.72935696 30 0.70529211 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 32 0.00000000 -0.53522730 0.16103114 -0.54363058 0.13063903 33 0.00181765 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 0.00003181 0.00000000 0.00000000 0.00000000 0.00000000 50 -0.01234237 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 52 -0.00003181 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 0.00002457 0.00000000 0.00000000 0.00000000 0.00000000 56 -0.00953548 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 58 -0.00002457 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 0.16103327 0.53523440 -0.13063730 -0.54362338 62 0.00000000 0.71809230 -0.21604880 -0.72934730 0.17526833 63 0.00181765 0.00000000 0.00000000 0.00000000 0.00000000 64 0.00000000 -0.21604880 -0.71809230 0.17526833 0.72934730 65 -0.70529276 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 67 0.00000000 -0.53523440 0.16103327 0.54362338 -0.13063730 68 -0.00181765 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 1.66359577 2 0.00000000 0.00000000 0.00000000 0.00000000 -0.49758886 3 0.00000000 0.00000000 0.00000000 0.00000000 -1.04370819 4 0.00000000 0.00000000 0.00000000 0.00000000 -0.32636174 5 0.00000000 0.00000000 0.05228684 -0.13565536 0.00000000 6 0.00000000 0.00000000 0.13565536 0.05228684 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 1.23535436 8 0.00000000 0.00000000 -0.13198358 0.34242419 0.00000000 9 0.00000000 0.00000000 -0.34242419 -0.13198358 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 -3.71789384 11 0.00000000 0.00000000 -0.00498817 0.01294154 0.00000000 12 0.00000000 0.00000000 -0.01294154 -0.00498817 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.36930743 14 -0.01442477 0.00005975 0.00000000 0.00000000 0.13586874 15 -0.00006899 -0.01665629 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 -0.03161998 0.08203632 0.00000000 17 0.01442477 -0.00005975 0.00000000 0.00000000 0.13586874 18 0.00000000 0.00000000 -0.08203632 -0.03161998 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 -0.20407747 20 -0.00500203 0.00002072 0.00000000 0.00000000 0.07604352 21 -0.00002392 -0.00577585 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.01496608 0.03882867 0.00000000 23 0.00500203 -0.00002072 0.00000000 0.00000000 0.07604352 24 0.00000000 0.00000000 -0.03882867 -0.01496608 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 -0.11290476 26 0.00000000 0.00000000 0.22006586 -0.57094887 0.00000000 27 0.00000000 0.00000000 0.25533610 0.09841645 0.00000000 28 -0.61360935 0.00254154 0.00000000 0.00000000 1.19515299 29 0.00000000 0.00000000 0.09841645 -0.25533610 0.00000000 30 -0.00293472 -0.70853505 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.25089006 0.65092057 0.00000000 32 0.00000000 0.00000000 0.57094887 0.22006586 0.00000000 33 0.61360935 -0.00254154 0.00000000 0.00000000 1.19515299 34 0.00000000 0.00000000 -0.65092057 -0.25089006 0.00000000 35 0.00000000 0.00000000 0.00000000 0.00000000 1.00337075 36 0.00000000 0.00000000 0.00000000 0.00000000 -1.66359588 37 0.00000000 0.00000000 0.00000000 0.00000000 0.49758891 38 0.00000000 0.00000000 0.00000000 0.00000000 1.04370824 39 0.00000000 0.00000000 0.00000000 0.00000000 0.32636177 40 0.00000000 0.00000000 -0.05228686 0.13565540 0.00000000 41 0.00000000 0.00000000 -0.13565540 -0.05228686 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 1.23535444 43 0.00000000 0.00000000 0.13198362 -0.34242431 0.00000000 44 0.00000000 0.00000000 0.34242431 0.13198362 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 -3.71789407 46 0.00000000 0.00000000 0.00498817 -0.01294154 0.00000000 47 0.00000000 0.00000000 0.01294154 0.00498817 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.36930747 49 0.01442480 -0.00005975 0.00000000 0.00000000 -0.13586876 50 0.00006899 0.01665632 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 -0.03162000 0.08203636 0.00000000 52 -0.01442480 0.00005975 0.00000000 0.00000000 -0.13586876 53 0.00000000 0.00000000 -0.08203636 -0.03162000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.20407753 55 0.00500202 -0.00002072 0.00000000 0.00000000 -0.07604351 56 0.00002392 0.00577584 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.01496607 0.03882865 0.00000000 58 -0.00500202 0.00002072 0.00000000 0.00000000 -0.07604351 59 0.00000000 0.00000000 -0.03882865 -0.01496607 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.11290473 61 0.00000000 0.00000000 -0.22006585 0.57094884 0.00000000 62 0.00000000 0.00000000 -0.25533609 -0.09841644 0.00000000 63 -0.61360879 0.00254154 0.00000000 0.00000000 1.19515298 64 0.00000000 0.00000000 -0.09841644 0.25533609 0.00000000 65 -0.00293471 -0.70853440 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.25089000 -0.65092041 0.00000000 67 0.00000000 0.00000000 -0.57094884 -0.22006585 0.00000000 68 0.61360879 -0.00254154 0.00000000 0.00000000 1.19515298 69 0.00000000 0.00000000 0.65092041 0.25089000 0.00000000 70 0.00000000 0.00000000 0.00000000 0.00000000 1.00337090 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 0.00910672 0.02074471 0.00000000 0.00000000 0.00000000 6 0.02074471 -0.00910672 0.00000000 0.00000000 0.00000000 7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 8 -0.02339672 -0.05329670 0.00000000 0.00000000 0.00000000 9 -0.05329670 0.02339672 0.00000000 0.00000000 0.00000000 10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 11 -0.00931187 -0.02121203 0.00000000 0.00000000 0.00000000 12 -0.02121203 0.00931187 0.00000000 0.00000000 0.00000000 13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 14 0.00000000 0.00000000 0.01944183 0.74565641 0.01356943 15 0.00000000 0.00000000 0.86100986 -0.02244949 0.86868997 16 -0.34203120 -0.77913199 0.00000000 0.00000000 0.00000000 17 0.00000000 0.00000000 -0.01944183 -0.74565641 -0.01356943 18 -0.77913199 0.34203120 0.00000000 0.00000000 0.00000000 19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 20 0.00000000 0.00000000 -0.00919819 -0.35278011 -0.00675675 21 0.00000000 0.00000000 -0.40735538 0.01062116 -0.43255466 22 0.15098364 0.34393406 0.00000000 0.00000000 0.00000000 23 0.00000000 0.00000000 0.00919819 0.35278011 0.00675675 24 0.34393406 -0.15098364 0.00000000 0.00000000 0.00000000 25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 26 0.02607841 0.05940547 0.00000000 0.00000000 0.00000000 27 0.02656693 -0.01166262 0.00000000 0.00000000 0.00000000 28 0.00000000 0.00000000 0.00036921 0.01416034 -0.00031066 29 0.01166262 0.02656693 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.01635095 -0.00042633 -0.01988758 31 -0.01815013 -0.04134519 0.00000000 0.00000000 0.00000000 32 0.05940547 -0.02607841 0.00000000 0.00000000 0.00000000 33 0.00000000 0.00000000 -0.00036921 -0.01416034 0.00031066 34 -0.04134519 0.01815013 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 0.00910676 0.02074479 0.00000000 0.00000000 0.00000000 41 0.02074479 -0.00910676 0.00000000 0.00000000 0.00000000 42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 43 -0.02339686 -0.05329701 0.00000000 0.00000000 0.00000000 44 -0.05329701 0.02339686 0.00000000 0.00000000 0.00000000 45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 46 -0.00931184 -0.02121195 0.00000000 0.00000000 0.00000000 47 -0.02121195 0.00931184 0.00000000 0.00000000 0.00000000 48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 49 0.00000000 0.00000000 0.01944187 0.74565806 -0.01356940 50 0.00000000 0.00000000 0.86101177 -0.02244954 -0.86868808 51 0.34203134 0.77913232 0.00000000 0.00000000 0.00000000 52 0.00000000 0.00000000 -0.01944187 -0.74565806 0.01356940 53 0.77913232 -0.34203134 0.00000000 0.00000000 0.00000000 54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 55 0.00000000 0.00000000 -0.00919821 -0.35278093 0.00675674 56 0.00000000 0.00000000 -0.40735634 0.01062118 0.43255377 57 -0.15098373 -0.34393427 0.00000000 0.00000000 0.00000000 58 0.00000000 0.00000000 0.00919821 0.35278093 -0.00675674 59 -0.34393427 0.15098373 0.00000000 0.00000000 0.00000000 60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 61 0.02607845 0.05940557 0.00000000 0.00000000 0.00000000 62 0.02656698 -0.01166264 0.00000000 0.00000000 0.00000000 63 0.00000000 0.00000000 -0.00036921 -0.01416029 -0.00031066 64 0.01166264 0.02656698 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 -0.01635089 0.00042632 -0.01988762 66 -0.01815007 -0.04134505 0.00000000 0.00000000 0.00000000 67 0.05940557 -0.02607845 0.00000000 0.00000000 0.00000000 68 0.00000000 0.00000000 0.00036921 0.01416029 0.00031066 69 -0.04134505 0.01815007 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 0.06434576 0.00000000 0.00000000 -3.03805530 2 0.00000000 -0.06647169 0.00000000 0.00000000 0.37213017 3 0.00000000 -0.09848829 0.00000000 0.00000000 3.01388663 4 0.00000000 -0.04065015 0.00000000 0.00000000 0.78222517 5 0.00000000 0.00000000 -0.02287526 -0.08454367 0.00000000 6 0.00000000 0.00000000 -0.08454367 0.02287526 0.00000000 7 0.00000000 -0.32599521 0.00000000 0.00000000 -0.13225457 8 0.00000000 0.00000000 0.08903476 0.32905963 0.00000000 9 0.00000000 0.00000000 0.32905963 -0.08903476 0.00000000 10 0.00000000 1.36112938 0.00000000 0.00000000 -0.22880806 11 0.00000000 0.00000000 -0.03912769 -0.14461032 0.00000000 12 0.00000000 0.00000000 -0.14461032 0.03912769 0.00000000 13 0.00000000 -0.18356747 0.00000000 0.00000000 0.75181004 14 0.75230758 -0.40357607 0.00000000 0.00000000 0.53838087 15 -0.01566863 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 0.00000000 0.23271676 0.86008761 0.00000000 17 -0.75230758 -0.40357607 0.00000000 0.00000000 0.53838087 18 0.00000000 0.00000000 0.86008761 -0.23271676 0.00000000 19 0.00000000 0.90298262 0.00000000 0.00000000 -0.81691220 20 -0.37460333 0.27204018 0.00000000 0.00000000 -0.71654755 21 0.00780202 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00000000 -0.13936270 -0.51506446 0.00000000 23 0.37460333 0.27204018 0.00000000 0.00000000 -0.71654755 24 0.00000000 0.00000000 -0.51506446 0.13936270 0.00000000 25 0.00000000 -0.36345756 0.00000000 0.00000000 0.59886054 26 0.00000000 0.00000000 -0.01680738 -0.06211764 0.00000000 27 0.00000000 0.00000000 -0.02777985 0.00751649 0.00000000 28 -0.01722315 -0.28150582 0.00000000 0.00000000 -0.11464090 29 0.00000000 0.00000000 -0.00751649 -0.02777985 0.00000000 30 0.00035871 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 0.00000000 -0.04775499 -0.17649555 0.00000000 32 0.00000000 0.00000000 -0.06211764 0.01680738 0.00000000 33 0.01722315 -0.28150582 0.00000000 0.00000000 -0.11464090 34 0.00000000 0.00000000 -0.17649555 0.04775499 0.00000000 35 0.00000000 -0.62130741 0.00000000 0.00000000 0.37973692 36 0.00000000 0.06434620 0.00000000 0.00000000 3.03805662 37 0.00000000 -0.06647175 0.00000000 0.00000000 -0.37213045 38 0.00000000 -0.09848876 0.00000000 0.00000000 -3.01388750 39 0.00000000 -0.04065027 0.00000000 0.00000000 -0.78222552 40 0.00000000 0.00000000 0.02287527 0.08454372 0.00000000 41 0.00000000 0.00000000 0.08454372 -0.02287527 0.00000000 42 0.00000000 0.32599520 0.00000000 0.00000000 -0.13225453 43 0.00000000 0.00000000 -0.08903481 -0.32905982 0.00000000 44 0.00000000 0.00000000 -0.32905982 0.08903481 0.00000000 45 0.00000000 -1.36112953 0.00000000 0.00000000 -0.22880835 46 0.00000000 0.00000000 0.03912770 0.14461034 0.00000000 47 0.00000000 0.00000000 0.14461034 -0.03912770 0.00000000 48 0.00000000 0.18356761 0.00000000 0.00000000 0.75181005 49 -0.75230594 -0.40357614 0.00000000 0.00000000 -0.53838086 50 0.01566860 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00000000 0.23271667 0.86008728 0.00000000 52 0.75230594 -0.40357614 0.00000000 0.00000000 -0.53838086 53 0.00000000 0.00000000 0.86008728 -0.23271667 0.00000000 54 0.00000000 0.90298276 0.00000000 0.00000000 0.81691200 55 0.37460256 0.27204030 0.00000000 0.00000000 0.71654760 56 -0.00780201 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 0.00000000 -0.13936266 -0.51506431 0.00000000 58 -0.37460256 0.27204030 0.00000000 0.00000000 0.71654760 59 0.00000000 0.00000000 -0.51506431 0.13936266 0.00000000 60 0.00000000 -0.36345769 0.00000000 0.00000000 -0.59886039 61 0.00000000 0.00000000 0.01680740 0.06211772 0.00000000 62 0.00000000 0.00000000 0.02777989 -0.00751650 0.00000000 63 -0.01722319 0.28150580 0.00000000 0.00000000 -0.11464083 64 0.00000000 0.00000000 0.00751650 0.02777989 0.00000000 65 0.00035871 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 0.00000000 0.04775501 0.17649563 0.00000000 67 0.00000000 0.00000000 0.06211772 -0.01680740 0.00000000 68 0.01722319 0.28150580 0.00000000 0.00000000 -0.11464083 69 0.00000000 0.00000000 0.17649563 -0.04775501 0.00000000 70 0.00000000 0.62130758 0.00000000 0.00000000 0.37973711 61 62 63 64 65 1 -10.37424395 0.00000000 0.00000000 6.02689727 0.00000000 2 2.31641873 0.00000000 0.00000000 -1.25744920 0.00000000 3 6.82279335 0.00000000 0.00000000 -4.11764491 0.00000000 4 2.78272117 0.00000000 0.00000000 -1.39166124 0.00000000 5 0.00000000 0.84699140 0.34074723 0.00000000 -0.02498083 6 0.00000000 -0.34074723 0.84699140 0.00000000 -1.05056077 7 -0.12625417 0.00000000 0.00000000 1.02358777 0.00000000 8 0.00000000 -5.77389397 -2.32285518 0.00000000 0.15928246 9 0.00000000 2.32285518 -5.77389397 0.00000000 6.69857334 10 0.73946105 -0.00000000 0.00000000 -5.99340296 0.00000000 11 0.00000000 0.40428600 0.16264549 0.00000000 -0.01286791 12 0.00000000 -0.16264549 0.40428600 0.00000000 -0.54115573 13 -0.06624488 0.00000000 0.00000000 0.53967722 0.00000000 14 0.44126376 0.00000000 0.00000000 -0.25337135 0.00000000 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 0.00000000 -0.00601662 -0.00242050 0.00000000 -0.00007149 17 0.44126376 0.00000000 0.00000000 -0.25337135 0.00000000 18 0.00000000 0.00242050 -0.00601662 0.00000000 -0.00300633 19 0.37611297 0.00000000 0.00000000 -0.26943762 0.00000000 20 -0.69239820 0.00000000 0.00000000 0.41915953 0.00000000 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00000000 0.00509790 0.00205090 0.00000000 0.00000148 23 -0.69239820 0.00000000 0.00000000 0.41915953 0.00000000 24 0.00000000 -0.00205090 0.00509790 0.00000000 0.00006214 25 -0.63562378 0.00000000 0.00000000 0.35526010 0.00000000 26 0.00000000 3.24271584 1.30455449 0.00000000 -0.08885383 27 0.00000000 -0.58341450 1.45018661 0.00000000 -1.67111195 28 -0.21440423 0.00000000 0.00000000 1.48169801 0.00000000 29 0.00000000 1.45018661 0.58341450 0.00000000 -0.03973664 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 0.00000000 1.47824154 0.59470109 0.00000000 -0.03894851 32 0.00000000 -1.30455449 3.24271584 0.00000000 -3.73671991 33 -0.21440423 0.00000000 0.00000000 1.48169801 0.00000000 34 0.00000000 -0.59470109 1.47824154 0.00000000 -1.63796747 35 -0.37517122 0.00000000 0.00000000 3.20859070 0.00000000 36 -10.37426015 -0.00000000 0.00000000 -6.02687492 0.00000000 37 2.31642216 0.00000000 0.00000000 1.25744424 0.00000000 38 6.82280415 0.00000000 0.00000000 4.11763026 0.00000000 39 2.78272506 0.00000000 0.00000000 1.39165523 0.00000000 40 0.00000000 0.84699539 0.34074883 0.00000000 0.02498074 41 0.00000000 -0.34074883 0.84699539 0.00000000 1.05055711 42 0.12625569 0.00000000 0.00000000 1.02358797 0.00000000 43 0.00000000 -5.77391929 -2.32286536 0.00000000 -0.15928186 44 0.00000000 2.32286536 -5.77391929 0.00000000 -6.69854825 45 -0.73947074 -0.00000000 0.00000000 -5.99340422 0.00000000 46 0.00000000 0.40428804 0.16264631 0.00000000 0.01286786 47 0.00000000 -0.16264631 0.40428804 0.00000000 0.54115398 48 0.06624594 0.00000000 0.00000000 0.53967730 0.00000000 49 0.44126435 0.00000000 0.00000000 0.25337041 0.00000000 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 0.00000000 0.00601659 0.00242049 0.00000000 -0.00007149 52 0.44126435 0.00000000 0.00000000 0.25337041 0.00000000 53 0.00000000 -0.00242049 0.00601659 0.00000000 -0.00300637 54 0.37611401 0.00000000 0.00000000 0.26943675 0.00000000 55 -0.69239917 0.00000000 0.00000000 -0.41915805 0.00000000 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00000000 -0.00509789 -0.00205090 0.00000000 0.00000148 58 -0.69239917 0.00000000 0.00000000 -0.41915805 0.00000000 59 0.00000000 0.00205090 -0.00509789 0.00000000 0.00006217 60 -0.63562511 0.00000000 0.00000000 -0.35525874 0.00000000 61 0.00000000 3.24272996 1.30456017 0.00000000 0.08885350 62 0.00000000 -0.58341704 1.45019292 0.00000000 1.67110564 63 0.21440656 0.00000000 0.00000000 1.48169824 0.00000000 64 0.00000000 1.45019292 0.58341704 0.00000000 0.03973649 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 0.00000000 1.47824773 0.59470358 0.00000000 0.03894836 67 0.00000000 -1.30456017 3.24272996 0.00000000 3.73670581 68 0.21440656 0.00000000 0.00000000 1.48169824 0.00000000 69 0.00000000 -0.59470358 1.47824773 0.00000000 1.63796105 70 0.37517661 0.00000000 0.00000000 3.20859149 0.00000000 66 67 68 69 70 1 0.00000000 0.48401451 -7.19144802 54.53871182 55.53799379 2 0.00000000 0.02573990 1.54367267 -26.44578949 -26.77624178 3 0.00000000 -0.24107445 4.56590403 -31.99875920 -33.09112556 4 0.00000000 -0.14762347 1.98025532 -15.43394339 -15.43396274 5 -1.05056077 0.00000000 0.00000000 0.00000000 0.00000000 6 0.02498083 0.00000000 0.00000000 0.00000000 0.00000000 7 0.00000000 -1.04823090 1.25850327 -0.01820797 -0.36455230 8 6.69857334 0.00000000 0.00000000 0.00000000 0.00000000 9 -0.15928246 0.00000000 0.00000000 0.00000000 0.00000000 10 0.00000000 6.69158422 -5.95714591 0.17065880 1.22920629 11 -0.54115573 0.00000000 0.00000000 0.00000000 0.00000000 12 0.01286791 0.00000000 0.00000000 0.00000000 0.00000000 13 0.00000000 -0.51089926 0.34841464 0.02367206 -0.17979378 14 0.00000000 -0.05323239 0.23605241 3.53674906 3.57026230 15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 16 -0.00300633 0.00000000 0.00000000 0.00000000 0.00000000 17 0.00000000 -0.05323239 0.23605241 3.53674906 3.57026230 18 0.00007149 0.00000000 0.00000000 0.00000000 0.00000000 19 0.00000000 -0.12631165 0.69060184 3.53667690 3.51355772 20 0.00000000 0.01898827 -0.29561299 3.29731357 3.38348834 21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 22 0.00006214 0.00000000 0.00000000 0.00000000 0.00000000 23 0.00000000 0.01898827 -0.29561299 3.29731357 3.38348834 24 -0.00000148 0.00000000 0.00000000 0.00000000 0.00000000 25 0.00000000 -0.01068159 -0.92004913 3.22122789 3.56944435 26 -3.73671991 0.00000000 0.00000000 0.00000000 0.00000000 27 0.03973664 0.00000000 0.00000000 0.00000000 0.00000000 28 0.00000000 -1.63818571 1.55327458 -0.00978841 -0.31707975 29 -1.67111195 0.00000000 0.00000000 0.00000000 0.00000000 30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 31 -1.63796747 0.00000000 0.00000000 0.00000000 0.00000000 32 0.08885383 0.00000000 0.00000000 0.00000000 0.00000000 33 0.00000000 -1.63818571 1.55327458 -0.00978841 -0.31707975 34 0.03894851 0.00000000 0.00000000 0.00000000 0.00000000 35 0.00000000 -3.77998235 2.88404932 -0.15608717 -0.46534943 36 0.00000000 0.48404903 7.19144047 54.53872521 -55.53798065 37 0.00000000 0.02573246 -1.54367160 -26.44579595 26.77623541 38 0.00000000 -0.24109644 -4.56589945 -31.99876718 33.09111785 39 0.00000000 -0.14763287 -1.98025321 -15.43394711 15.43395902 40 1.05055711 0.00000000 0.00000000 0.00000000 0.00000000 41 -0.02498074 0.00000000 0.00000000 0.00000000 0.00000000 42 0.00000000 1.04823620 1.25849865 0.01820805 -0.36455229 43 -6.69854825 0.00000000 0.00000000 0.00000000 0.00000000 44 0.15928186 0.00000000 0.00000000 0.00000000 0.00000000 45 0.00000000 -6.69160869 -5.95711633 -0.17065907 1.22920623 46 0.54115398 0.00000000 0.00000000 0.00000000 0.00000000 47 -0.01286786 0.00000000 0.00000000 0.00000000 0.00000000 48 0.00000000 0.51090057 0.34841239 -0.02367202 -0.17979378 49 0.00000000 -0.05323351 -0.23605194 3.53674992 -3.57026145 50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 51 -0.00300637 0.00000000 0.00000000 0.00000000 0.00000000 52 0.00000000 -0.05323351 -0.23605194 3.53674992 -3.57026145 53 0.00007149 0.00000000 0.00000000 0.00000000 0.00000000 54 0.00000000 -0.12631490 -0.69060107 3.53667775 -3.51355687 55 0.00000000 0.01898973 0.29561257 3.29731439 -3.38348754 56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 57 0.00006217 0.00000000 0.00000000 0.00000000 0.00000000 58 0.00000000 0.01898973 0.29561257 3.29731439 -3.38348754 59 -0.00000148 0.00000000 0.00000000 0.00000000 0.00000000 60 0.00000000 -0.01067726 0.92004886 3.22122875 -3.56944357 61 3.73670581 0.00000000 0.00000000 0.00000000 0.00000000 62 -0.03973649 0.00000000 0.00000000 0.00000000 0.00000000 63 0.00000000 1.63819213 1.55326735 0.00978848 -0.31707975 64 1.67110564 0.00000000 0.00000000 0.00000000 0.00000000 65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 66 1.63796105 0.00000000 0.00000000 0.00000000 0.00000000 67 -0.08885350 0.00000000 0.00000000 0.00000000 0.00000000 68 0.00000000 1.63819213 1.55326735 0.00978848 -0.31707975 69 -0.03894836 0.00000000 0.00000000 0.00000000 0.00000000 70 0.00000000 3.77999404 2.88403259 0.15608727 -0.46534938 --------------------------------------- UHF spin-up orbital energies --------------------------------------- 1 1 -0.57791264 2 -0.42722831 3 0.23240703 4 0.26155609 5 0.40571728 6 0.40571728 7 0.48972419 8 0.58040219 9 0.58040219 10 0.85303880 11 1.12255416 12 1.17656123 13 1.58231739 14 1.79045163 15 1.79045163 16 1.86728346 17 1.86728346 18 1.86988722 19 1.86988722 20 2.00749130 21 2.00749130 22 2.08075327 23 2.12449501 24 2.12449501 25 2.27417401 26 2.45670495 27 2.45670495 28 3.01696968 29 3.06137923 30 3.21392487 31 4.37302934 32 4.37302934 33 4.50653494 34 4.50653494 35 4.50994535 36 4.70709624 37 5.89379363 38 5.89379363 39 5.95989541 40 6.00831252 41 6.00831252 42 6.05107392 43 6.05107392 44 6.05803250 45 6.05803250 46 6.09914069 47 6.09914069 48 6.29860359 49 6.29860359 50 6.83378199 51 8.04050861 52 8.04050861 53 8.08742786 54 8.08742786 55 8.16345975 56 8.16345975 57 8.32087479 58 8.42052386 59 8.42052386 60 9.11456303 61 9.61975504 62 9.69237337 63 9.69237337 64 9.69364719 65 9.73530308 66 9.73530308 67 9.94521653 68 9.96131775 69 22.66658559 70 23.14748326 --------------------------------------- UHF spin-down orbital energies --------------------------------------- 1 1 0.00967158 2 0.11529238 3 0.32002741 4 0.38960180 5 0.47602151 6 0.47602151 7 0.58774170 8 0.64726064 9 0.64726064 10 0.91448824 11 1.22521152 12 1.26049138 13 1.64935703 14 1.85251511 15 1.85251511 16 1.92496169 17 1.92496169 18 1.94116931 19 1.94116931 20 2.05352018 21 2.05352018 22 2.15641696 23 2.17008438 24 2.17008438 25 2.32908522 26 2.50063114 27 2.50063114 28 3.09500612 29 3.11462112 30 3.28071923 31 4.42426457 32 4.42426457 33 4.55530567 34 4.55530567 35 4.56448815 36 4.74977539 37 5.92804174 38 5.92804174 39 5.99315742 40 6.04151721 41 6.04151721 42 6.08375440 43 6.08375440 44 6.09066063 45 6.09066063 46 6.13165577 47 6.13165577 48 6.33115755 49 6.33115755 50 6.87009007 51 8.08696840 52 8.08696840 53 8.13348227 54 8.13348227 55 8.20896194 56 8.20896194 57 8.36572886 58 8.46419808 59 8.46419808 60 9.15621260 61 9.68430460 62 9.73735929 63 9.73735929 64 9.74562475 65 9.77968235 66 9.77968235 67 9.98866901 68 10.01206943 69 22.67936087 70 23.16063507 Total CPU time for UHF = 1.297 seconds AO to MO transformation... Please be patient Total CPU time for AO to MO transformation = 14.599 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 | 0.674002 | 18.340539 | | 2 | 0.711628 | 19.364379 | | 3 | 0.838440 | 22.815110 | | 4 | 0.854993 | 23.265540 | | 5 | 0.854993 | 23.265540 | | 6 | 0.859594 | 23.390750 | | 7 | 0.963614 | 26.221273 | | 8 | 0.997653 | 27.147518 | | 9 | 0.997653 | 27.147518 | | 10 | 1.074699 | 29.244054 | | 11 | 1.074699 | 29.244054 | | 12 | 1.108508 | 30.164032 | | 13 | 1.186127 | 32.276152 | | 14 | 1.186127 | 32.276152 | | 15 | 1.319120 | 35.895085 | | 16 | 1.453585 | 39.554065 | | 17 | 1.589262 | 43.246033 | | 18 | 1.628434 | 44.311947 | | 19 | 1.752375 | 47.684559 | | 20 | 1.791413 | 48.746826 | ------------------------------------------------------------- *** 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| -15.725804 0.263177| 0.205923 -0.971965| 0.956817 0.977765| -15.528773 -0.687176| | 2| -11.625474 3.137265| -0.009719 -0.708880| 0.965098 0.983353| -11.634854 2.440186| | 3| 6.324117 8.708390| -0.156228 -0.858497| 0.994336 0.973774| 6.168774 7.872407| | 4| 7.117304 10.601605| -0.139579 -1.211718| 0.994535 0.962077| 6.978487 9.435839| | 5| 11.040129 12.953205| -0.366521 -0.665027| 0.988027 0.977127| 10.677997 12.303390| | 6| 11.040129 12.953205| -0.366521 -0.665027| 0.988027 0.977127| 10.677997 12.303390| | 7| 13.326074 15.993266| -0.466092 -0.846578| 0.985482 0.969602| 12.866749 15.172422| | 8| 15.793548 17.612859| -0.369096 -0.694867| 0.987928 0.967037| 15.428908 16.940897| | 9| 15.793548 17.612859| -0.369096 -0.694867| 0.987928 0.967037| 15.428908 16.940897| | 10| 23.212368 24.884493| -0.534055 -0.811658| 0.966567 0.834539| 22.696168 24.207132| | 11| 30.546255 33.339704| -0.402237 -1.884318| 0.363209 0.411679| 30.400158 32.563970| | 12| 32.015862 34.299718| -0.969458 -0.691710| 0.602407 0.358461| 31.431853 34.051767| | 13| 43.057049 44.881291| -0.809471 0.545824| 0.354500 0.161367| 42.770092 44.969369| | 14| 48.720670 50.409504| -0.650181 -0.656032| 0.872990 0.809078| 48.153068 49.878723| | 15| 48.720670 50.409504| -0.650181 -0.656032| 0.872990 0.809078| 48.153068 49.878723| | 16| 50.811371 52.380876| -0.292902 -0.441548| 0.876960 0.872940| 50.554508 51.995430| | 17| 50.811371 52.380876| -0.292902 -0.441548| 0.876960 0.872940| 50.554508 51.995430| | 18| 50.882223 52.821907| -1.025373 -1.327843| 0.527032 0.530275| 50.341819 52.117785| | 19| 50.882223 52.821907| -1.025373 -1.327843| 0.527032 0.530275| 50.341819 52.117785| | 20| 54.626621 55.879130| -0.480583 -0.571678| 0.939229 0.932422| 54.175244 55.346085| | 21| 54.626621 55.879130| -0.480583 -0.571678| 0.939229 0.932422| 54.175244 55.346085| | 22| 56.620180 58.679094| -1.470224 -2.503436| 0.062806 0.355000| 56.527841 57.790376| | 23| 57.810454 59.051004| -0.640498 -0.753185| 0.946773 0.939729| 57.204048 58.343214| | 24| 57.810454 59.051004| -0.640498 -0.753185| 0.946773 0.939729| 57.204048 58.343214| | 25| 61.883427 63.377637| -0.717936 -1.981254| 0.644775 0.191167| 61.420520 62.998887| | 26| 66.850347 68.045639| -1.181332 -1.695306| 0.557693 0.316545| 66.191526 67.508999| | 27| 66.850347 68.045639| -1.181332 -1.695306| 0.557693 0.316545| 66.191526 67.508999| | 28| 82.095926 84.219406| -0.077239 -0.037508| 0.320536 0.273529| 82.071169 84.209147| | 29| 83.304372 84.753158| 2.337627 2.521309| 0.126498 0.059936| 83.600076 84.904274| | 30| 87.455350 89.272917| -4.402978 -4.775698| 0.085137 0.041406| 87.080495 89.075173| | 31| 118.996190 120.390371| -0.777785 -0.768415| 0.639850 0.705329| 118.498524 119.848386| | 32| 118.996190 120.390371| -0.777785 -0.768415| 0.639850 0.705329| 118.498524 119.848386| | 33| 122.629062 123.956181| -0.819765 -0.899780| 0.716265 0.792432| 122.041893 123.243167| | 34| 122.629062 123.956181| -0.819765 -0.899780| 0.716265 0.792432| 122.041893 123.243167| | 35| 122.721864 124.206049| -0.707344 -0.693809| 0.463477 0.518728| 122.394026 123.846151| | 36| 128.086613 129.247972| -0.743683 -0.748999| 0.857421 0.773850| 127.448964 128.668359| | 37| 160.378293 161.310232| -0.408244 -0.470157| 0.890269 0.851194| 160.014846 160.910038| | 38| 160.378293 161.310232| -0.408244 -0.470157| 0.890269 0.851194| 160.014846 160.910038| | 39| 162.177015 163.082120| 1.179224 -0.162943| 0.130440 0.570106| 162.330833 162.989225| | 40| 163.494511 164.398057| -0.681957 -0.696183| 0.934594 0.903642| 162.857159 163.768957| | 41| 163.494511 164.398057| -0.681957 -0.696183| 0.934594 0.903642| 162.857159 163.768957| | 42| 164.658108 165.547389| -0.803678 -0.844619| 0.959040 0.956703| 163.887348 164.739339| | 43| 164.658108 165.547389| -0.803678 -0.844619| 0.959040 0.956703| 163.887348 164.739339| | 44| 164.847461 165.735318| -0.809394 -0.850602| 0.958568 0.956186| 164.071602 164.921984| | 45| 164.847461 165.735318| -0.809394 -0.850602| 0.958568 0.956186| 164.071602 164.921984| | 46| 165.966072 166.850852| -0.822614 -0.862255| 0.950953 0.947662| 165.183805 166.033726| | 47| 165.966072 166.850852| -0.822614 -0.862255| 0.950953 0.947662| 165.183805 166.033726| | 48| 171.393734 172.279572| -1.089945 -1.290562| 0.908071 0.670311| 170.403986 171.414495| | 49| 171.393734 172.279572| -1.089945 -1.290562| 0.908071 0.670311| 170.403986 171.414495| | 50| 185.956680 186.944673| 0.022886 -0.197282| 0.109221 0.159583| 185.959179 186.913190| | 51| 218.793384 220.057619| -1.718263 -2.246246| 0.371543 0.449391| 218.154975 219.048175| | 52| 218.793384 220.057619| -1.718263 -2.246246| 0.371543 0.449391| 218.154975 219.048175| | 53| 220.070121 221.323326| -2.220274 -2.349669| 0.816748 0.768541| 218.256717 219.517509| | 54| 220.070121 221.323326| -2.220274 -2.349669| 0.816748 0.768541| 218.256717 219.517509| | 55| 222.139055 223.377232| -2.322814 -2.447937| 0.811456 0.802860| 220.254193 221.411881| | 56| 222.139055 223.377232| -2.322814 -2.447937| 0.811456 0.802860| 220.254193 221.411881| | 57| 226.422536 227.643077| 1.055249 -0.429101| 0.088916 0.234793| 226.516365 227.542327| | 58| 229.134125 230.322561| -2.142002 -2.921964| 0.196790 0.280282| 228.712600 229.503588| | 59| 229.134125 230.322561| -2.142002 -2.921964| 0.196790 0.280282| 228.712600 229.503588| | 60| 248.019893 249.153236| -3.583013 -3.466689| 0.445317 0.452927| 246.424315 247.583079| | 61| 261.766868 263.523351| -2.112770 -2.571647| 0.204611 0.408446| 261.334572 262.472971| | 62| 263.742913 264.967042| -1.699465 -1.774507| 0.912941 0.907465| 262.191402 263.356740| | 63| 263.742913 264.967042| -1.699465 -1.774507| 0.912941 0.907465| 262.191402 263.356740| | 64| 263.777576 265.191957| -2.174619 -2.225123| 0.889745 0.890905| 261.842720 263.209583| | 65| 264.911090 266.118712| -1.922667 -1.884964| 0.394881 0.395400| 264.151866 265.373397| | 66| 264.911090 266.118712| -1.922667 -1.884964| 0.394881 0.395400| 264.151866 265.373397| | 67| 270.623126 271.805528| -2.046861 -2.130128| 0.748281 0.740452| 269.091499 270.228269| | 68| 271.061263 272.442286| -2.006047 -2.297818| 0.511454 0.605667| 270.035262 271.050574| | 69| 616.789210 617.136843| -0.925427 -0.928727| 0.970227 0.970019| 615.891336 616.235960| | 70| 629.875102 630.232981| -1.512857 -1.510258| 0.908787 0.902796| 628.500237 628.869527| -------------------------------------------------------------------------------------------------------------------------------- UG0W0 HOMO energy: 0.000000 eV UG0W0 LUMO energy: -0.687176 eV UG0W0 HOMO-LUMO gap : -0.687176 eV -------------------------------------------------------------------------------------------------------------------------------- RPA@UG0W0 total energy : -1.011910 au RPA@UG0W0 correlation energy: -0.029438 au GM@UG0W0 total energy : -1.038724 au GM@UG0W0 correlation energy: -0.056252 au -------------------------------------------------------------------------------------------------------------------------------- ------------------------------------------------------------- BSE@UGW calculation: spin-flip manifold ------------------------------------------------------------- | State | Excitation energy (au) | Excitation energy (eV) | ------------------------------------------------------------- | 1 | -0.027236 | -0.741126 | | 2 | 0.025264 | 0.687480 | | 3 | 0.277650 | 7.555250 | | 4 | 0.339076 | 9.226722 | | 5 | 0.412347 | 11.220526 | | 6 | 0.438824 | 11.941011 | | 7 | 0.522056 | 14.205866 | | 8 | 0.522056 | 14.205866 | | 9 | 0.598961 | 16.298558 | | 10 | 0.605126 | 16.466309 | | 11 | 0.605126 | 16.466309 | | 12 | 0.625807 | 17.029069 | | 13 | 0.650162 | 17.691813 | | 14 | 0.756967 | 20.598126 | | 15 | 0.787642 | 21.432837 | | 16 | 0.787642 | 21.432837 | | 17 | 0.882394 | 24.011173 | | 18 | 0.882394 | 24.011173 | | 19 | 1.011057 | 27.512274 | | 20 | 1.134899 | 30.882173 | ------------------------------------------------------------- ------------------------------------------------------------- Excitation n. 1: -0.741126 eV f = 0.0000 = 0.0113 ------------------------------------------------------------- 1A -> 2B = 0.308943 1A -> 4B = -0.215367 2A -> 1B = -0.883144 2A -> 3B = -0.264005 ------------------------------------------------------------- Excitation n. 2: 0.687480 eV f = 0.0000 = 1.9964 ------------------------------------------------------------- 1A -> 1B = 0.673681 1A -> 3B = 0.237180 2A -> 2B = -0.600582 2A -> 4B = 0.344910 ------------------------------------------------------------- Excitation n. 3: 7.555250 eV f = 0.0000 = 0.1561 ------------------------------------------------------------- 1A -> 1B = -0.652604 1A -> 3B = -0.142981 1A -> 7B = -0.121068 2A -> 2B = -0.727676 ------------------------------------------------------------- Excitation n. 4: 9.226722 eV f = 0.0000 = 0.2370 ------------------------------------------------------------- 1A -> 2B = -0.763005 1A -> 4B = 0.337174 2A -> 1B = -0.444301 2A -> 3B = 0.261880 2A -> 7B = -0.176145 ------------------------------------------------------------- Excitation n. 5: 11.220526 eV f = 0.0000 = 0.8959 ------------------------------------------------------------- 1A -> 2B = 0.432881 1A -> 4B = 0.171148 2A -> 1B = -0.147285 2A -> 3B = 0.855526 2A -> 7B = 0.138251 ------------------------------------------------------------- Excitation n. 6: 11.941011 eV f = 0.0000 = 0.9569 ------------------------------------------------------------- 1A -> 1B = 0.310142 1A -> 3B = -0.420830 2A -> 2B = -0.291840 2A -> 4B = -0.788249 ------------------------------------------------------------- Excitation n. 7: 14.205866 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.209205 1A -> 9B = 0.143652 2A -> 5B = 0.487546 2A -> 6B = 0.833273 ------------------------------------------------------------- Excitation n. 8: 14.205866 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.143652 1A -> 9B = -0.209205 2A -> 5B = 0.833273 2A -> 6B = -0.487546 ------------------------------------------------------------- Excitation n. 9: 16.298558 eV f = 0.0000 = 0.9490 ------------------------------------------------------------- 1A -> 1B = 0.151963 1A -> 3B = -0.843816 1A -> 7B = -0.153136 2A -> 2B = 0.116073 2A -> 4B = 0.472786 ------------------------------------------------------------- Excitation n. 10: 16.466309 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = 0.781359 1A -> 6B = -0.107604 2A -> 8B = 0.511734 2A -> 9B = -0.332752 ------------------------------------------------------------- Excitation n. 11: 16.466309 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = -0.107604 1A -> 6B = -0.781359 2A -> 8B = -0.332752 2A -> 9B = -0.511734 ------------------------------------------------------------- Excitation n. 12: 17.029069 eV f = 0.0000 = 0.9999 ------------------------------------------------------------- 1A -> 2B = 0.358294 1A -> 4B = 0.554465 2A -> 3B = -0.178247 2A -> 7B = -0.719193 ------------------------------------------------------------- Excitation n. 13: 17.691813 eV f = 0.0000 = 0.8702 ------------------------------------------------------------- 1A -> 4B = -0.690409 1A -> 10B = -0.162849 2A -> 3B = 0.297995 2A -> 7B = -0.631062 ------------------------------------------------------------- Excitation n. 14: 20.598126 eV f = 0.0000 = 0.9541 ------------------------------------------------------------- 1A -> 3B = 0.147999 1A -> 7B = -0.921055 2A -> 2B = 0.103458 2A -> 10B = -0.321633 ------------------------------------------------------------- Excitation n. 15: 21.432837 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = -0.556289 1A -> 6B = -0.255786 2A -> 8B = 0.789343 ------------------------------------------------------------- Excitation n. 16: 21.432837 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 5B = 0.255786 1A -> 6B = -0.556289 2A -> 9B = 0.789343 ------------------------------------------------------------- Excitation n. 17: 24.011173 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 8B = 0.962741 2A -> 5B = -0.225512 2A -> 6B = -0.122302 ------------------------------------------------------------- Excitation n. 18: 24.011173 eV f = 0.0000 = 1.0000 ------------------------------------------------------------- 1A -> 9B = -0.962741 2A -> 5B = -0.122302 2A -> 6B = 0.225512 ------------------------------------------------------------- Excitation n. 19: 27.512274 eV f = 0.0000 = 0.9996 ------------------------------------------------------------- 1A -> 7B = 0.315146 1A -> 11B = 0.115572 2A -> 10B = -0.933135 ------------------------------------------------------------- Excitation n. 20: 30.882173 eV f = 0.0000 = 0.9991 ------------------------------------------------------------- 1A -> 4B = -0.125872 1A -> 10B = 0.922327 2A -> 7B = -0.141938 2A -> 11B = -0.311026 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 = -0.9824718588 ------------------------------------------------------------------------------- Total CPU time for G0W0 = 0.530 seconds Total CPU time for QuAcK = 17.570 seconds