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276 lines
11 KiB
Plaintext
Executable File
276 lines
11 KiB
Plaintext
Executable File
Robert F. Stewart, Small Gaussian Expansions of Slater-Type Orbitals,
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J. Chem. Phys. 52, 431-438 (1970). DOI: 10.1063/1.1672702
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1s
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2.709498091d-1
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8.518186635d-1 1.516232927d-1
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2.227660584d0 4.057711562d-1 1.098175104d-1
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5.216844534d0 9.546182760d-1 2.652034102d-1 8.801862774d-2
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1.130563696d1 2.071728178d0 5.786484833d-1 1.975724573d-1 7.445271746d-2
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2.310303149d1 4.235915534d0 1.185056519d0 4.070988982d-1 1.580884151d-1 6.510953954d-2
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4.301284983d-1 6.789135305d-1
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1.543289673d-1 5.353281423d-1 4.446345422d-1
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5.675242080d-2 2.601413550d-1 5.328461143d-1 2.916254405d-1
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2.214055312d-2 1.135411520d-1 3.318161484d-1 4.825700713d-1 1.935721966d-1
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9.163596280d-3 4.936149294d-2 1.685383049d-1 3.705627997d-1 4.164915298d-1 1.303340841d-1
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2s
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1.012151084d-1
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1.292278611d-1 4.908584205d-2
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2.581578398d0 1.567622104d-1 6.018332272d-2
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1.161525551d1 2.000243111d0 1.607280687d-1 6.125744532d-2
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8.984956862d0 1.673710636d0 1.944726668d-1 8.806345634d-2 4.249068522d-2
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2.768496241d1 5.077140627d0 1.426786050d0 2.040335729d-1 9.260298399d-2 4.416183978d-2
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2.581578398d0 1.567622104d-1 6.018332272d-2 1.9159925357d0 3.506030282d-1 9.7401360360785d-2 3.2326635892428d-2
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7.470867124d-1 2.855980556d-1
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-5.994474934d-2 5.960385398d-1 4.581786291d-1
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-1.198411747d-2 -5.472052539d-2 5.805587176d-1 4.770079976d-1
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-1.596349096d-2 -5.685884883d-2 3.698265599d-1 5.480512593d-1 1.472634893d-1
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-4.151277819d-3 -2.067024148d-2 -5.150303337d-2 3.346271174d-1 5.621061301d-1 1.712994697d-1
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-1.318654467d0 1.6038777007d0 6.0132301017d-1 -9.80904319863311d-1 -1.25796350353405d0 -9.85989899905078d-1 -2.35962336419595d-1
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3s
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5.296881757d-2
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6.694095822d-1 5.837135094d-2
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5.641487709d-1 6.924421391d-2 3.269529097d-2
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1.513265591d0 4.262497508d-1 7.643320863d-2 3.760545063d-2
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4.275877914d0 1.132409433d0 4.016256968d-1 7.732370620d-2 3.800708627d-2
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3.273031938d0 9.200611311d-1 3.593349765d-1 8.636686991d-2 4.797373812d-2 2.724741144d-2
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-1.529645716d-1 1.051370110d0
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-1.782577972d-1 8.612761663d-1 2.261841969d-1
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-3.295496352d-2 -1.724516959d-1 7.518511194d-1 3.589627317d-1
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-3.920358850d-3 -4.168430506d-2 -1.637440990d-1 7.419373723d-1 3.724364929d-1
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-6.775596947d-3 -5.639325779d-2 -1.587856086d-1 5.534527651d-1 5.015351020d-1 7.223633674d-2
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4s
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3.264600274d-2
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2.441785453d-1 4.051097664d-2
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2.267938753d-1 4.448178019d-2 2.195294664d-2
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3.242212833d-1 1.663217177d-1 5.081097451d-2 2.829066600d-2
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2.980263783d0 3.792228833d-1 1.789717224d-1 5.002110360d-2 2.789361681d-2
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1.365346d00 4.393213d-01 1.877069d-01 9.360270d-02 5.052263d-02 2.809354d-02 ***Grimme***
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-3.046656896d-1 1.146877294d0
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-3.349048323d-1 1.056744667d0 1.256661680d-1
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-1.120682822d-1 -2.845426863d-1 8.909873788d-1 3.517811205d-1
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1.513948997d-3 -7.316801518d-2 -3.143703799d-1 9.032615169d-1 3.294210848d-1
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3.775056d-03 -5.585965d-02 -3.192946d-01 -2.764780d-02 9.049199d-01 3.406258d-01 ***Grimme***
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5s
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2.216912938d-2
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1.213425654d-1 3.133152144d-2
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1.080198458d-1 4.408119382d-2 2.610811810d-2
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8.602284252d-1 1.189050200d-1 3.446076176d-2 1.974798796d-2
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7.403763257d-1 1.367990863d-1 9.135301779d-2 3.726907315d-2 2.241490836d-2
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1.410128298d0 5.077878915d-1 1.847926858d-1 1.061070594d-1 3.669584901d-2 2.213558430d-2
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-5.114756049d-1 1.307377277d0
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-6.617401158d-1 7.467595004d-1 7.146490945d-1
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1.103657561d-2 -5.606519023d-1 1.179429987d0 1.734974376d-1
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1.375523371d-2 -3.097344179d-1 -3.199192259d-1 1.084547038d0 3.345288361d-1
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2.695439582d-3 1.850157487d-2 -9.588628125d-2 -5.200673560d-1 1.087619490d0 3.103964343d-1
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6s
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5.800292686d-1 2.718262251d-1 7.938523262d-2 4.975088254d-2 2.983643556d-2 1.886067216d-2
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4.554359511d-3 5.286443143d-2 -7.561016358d-1 -2.269803820d-1 1.332494651d0 3.622518293d-1
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2p
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1.759666885d-1
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4.323908358d-1 1.069139065d-1
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9.192379002d-1 2.359194503d-1 8.009805746d-2
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1.798260992d0 4.662622228d-1 1.643718620d-1 6.543927065d-2
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3.320386533d0 8.643257633d-1 3.079819284d-1 1.273309895d-1 5.606243164d-2
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5.868285913d0 1.530329631d0 5.475665231d-1 2.288932733d-1 1.046655969d-1 4.948220127d-2
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4.522627513d-1 6.713122642d-1
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1.623948553d-1 5.661708862d-1 4.223071752d-1
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5.713170255d-2 2.857455515d-1 5.517873105d-1 2.632314924d-1
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2.079051117d-2 1.235472099d-1 3.667738986d-1 4.834930290d-1 1.653444074d-1
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7.924233646d-3 5.144104825d-2 1.898400060d-1 4.049863191d-1 4.012362861d-1 1.051855189d-1
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3p
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9.113614253d-2
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1.458620964d-1 5.664210742d-2
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2.692880368d0 1.489359592d-1 5.739585040d-2
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1.853180239d0 1.915075719d-1 8.655487938d-2 4.184253862d-2
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6.466803859d0 1.555914802d0 1.955925255d-1 8.809647701d-2 4.234835707d-2
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5.077973607d0 1.340786940d0 2.248434849d-1 1.131741848d-1 6.076408893d-2 3.315424265d-2
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5.349653114d-1 5.299607212d-1
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-1.061945788d-2 5.218564264d-1 5.450015143d-1
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-1.434249391d-2 2.755177589d-1 5.846750879d-1 2.144986514d-1
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-2.329023747d-3 -1.357395221d-2 2.632185383d-1 5.880427024d-1 2.242794445d-1
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-3.329929840d-3 -1.419488340d-2 1.639395770d-1 4.485358256d-1 3.908813050d-1 7.411456232d-2
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4p
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5.578350235d-2
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6.190052680d-2 2.648418407d-2
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4.859692220d-1 7.430216918d-2 3.653340923d-2
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1.492607880d0 4.327619272d-1 7.553156064d-2 3.706272183d-2
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1.091977298d0 3.719985051d-1 8.590019352d-2 4.786503860d-2 2.730479990d-2
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1.365346d00 4.393213d-01 1.877069d-01 9.360270d-02 5.052263d-02 2.809354d-02 ***Grimme***
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8.743116767d-1 1.513640107d-1
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-6.147823411d-2 6.604172234d-1 3.932639495d-1
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-6.035216774d-3 -6.013310874d-2 6.451518200d-1 4.117923820d-1
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-1.143929558d-2 -6.322651538d-2 4.398907721d-1 5.245859166d-1 1.017072253d-1
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-7.052075d-03 -5.259505d-02 -3.773450d-02 3.874773d-01 5.791672d-01 1.221817d-01
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5p
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3.769845216d-2
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2.691294191d-1 3.980805011d-2
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2.127482317d-1 4.729648620d-2 2.604865324d-2
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3.962838833d-1 1.838858552d-1 4.943555157d-2 2.750222273d-2
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3.422168934d-1 1.665099900d-1 5.443732013d-2 3.367775277d-2 2.091949042d-2
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3.778623374d0 3.499121109d-1 1.683175469d-1 5.404070736d-2 3.328911801d-2 2.063815019d-2
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-1.034227010d-1 1.033376378d0
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-1.389529695d-1 8.076691064d-1 2.726029342d-1
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-1.801459207d-2 -1.360777372d-1 7.533973719d-1 3.409304859d-1
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-3.113958289d-2 -1.374007017d-1 5.573881018d-1 4.855428100d-1 6.605423564d-2
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1.163246387d-4 -2.920771322d-2 -1.381051233d-1 5.706134877d-1 4.768808140d-1 6.021665516d-2
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6p
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6.696537714d-1 1.395089793d-1 8.163894960d-2 4.586329272d-2 2.961305556d-2 1.882221321d-2
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2.782723680d-3 -1.282887780d-1 -2.266255943d-1 4.682259383d-1 6.752048848d-1 1.091534212d-1
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3d
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1.302270363d-1
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2.777427345d-1 8.336507714d-2
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5.229112225d-1 1.639595876d-1 6.386630021d-2
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9.185846715d-1 2.920461109d-1 1.187568890d-1 5.286755896d-2
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1.539033958d0 4.922090297d-1 2.029756928d-1 9.424112917d-2 4.569058269d-2
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2.488296923d0 7.981487853d-1 3.311327490d-1 1.559114463d-1 7.817734732d-2 4.058484363d-2
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4.666137923d-1 6.644706516d-1
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1.686596060d-1 5.847984817d-1 4.056779523d-1
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5.799057705d-2 3.045581349d-1 5.601358038d-1 2.432423313d-1
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2.020869128d-2 1.321157923d-1 3.911240346d-1 4.779609701d-1 1.463662294d-1
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7.283828112d-3 5.386799363d-2 2.072139149d-1 4.266269092d-1 3.843100204d-1 8.902827546d-2
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4d
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7.941656339d-2
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1.330958892d-1 5.272119659d-2
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1.777717219d-1 8.040647350d-2 3.949855551d-2
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1.995825422d0 1.823461280d-1 8.197240896d-2 4.000634951d-2
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1.522122079d0 2.173041823d-1 1.084876577d-1 5.836797641d-2 3.206682246d-2
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4.634239420d0 1.341648295d0 2.209593028d-1 1.101467943d-1 5.904190370d-2 3.232628887d-2
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4.932764167d-1 5.918727866d-1
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2.308552718d-1 6.042409177d-1 2.595768926d-1
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-2.816702620d-3 2.177095871d-1 6.058047348d-1 2.717811257d-1
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-3.673711876d-3 1.167122499d-1 4.216476416d-1 4.547673415d-1 1.037803318d-1
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-4.749842876d-4 -3.566777891d-3 1.108670481d-1 4.159646930d-1 4.621672517d-1 1.081250196d-1
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5d
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5.352200793d-2
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6.906014388d-2 3.399457777d-2
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4.913352950d-1 7.329090601d-2 3.594209290d-2
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4.230617826d-1 8.293863702d-2 4.590326388d-2 2.628744797d-2
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9.702946470d-1 3.603270196d-1 8.668717752d-2 4.833708379d-2 2.751899341d-2
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8.820520428d-1 3.410838409d-1 9.204308840d-2 5.472831774d-2 3.391202830d-2 2.108227374d-2
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6.539405185d-1 3.948945302d-1
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-2.010175008d-2 5.899310608d-1 4.658445960d-1
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-2.421626009d-2 3.937644956d-1 5.489520286d-1 1.190436963d-1
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-3.231527611d-3 -2.434931372d-2 3.440817054d-1 5.693674316d-1 1.511340183d-1
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-4.097311019d-3 -2.508271857d-2 2.648458555d-1 5.097437054d-1 2.654483467d-1 2.623132212d-2
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4f
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1.033434062d-1
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2.006693538d-1 6.865384900d-2
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3.483826963d-1 1.249380537d-1 5.349995725d-2
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5.691670217d-1 2.074585819d-1 9.298346885d-2 4.473508853d-2
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8.925960415d-1 3.277589120d-1 1.492869962d-1 7.506099109d-2 3.892475795d-2
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1.357718039d0 5.004907278d-1 2.296565064d-1 1.173146814d-1 6.350097171d-2 3.474556673d-2
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4.769346276d-1 6.587383976d-1
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1.737856685d-1 5.973380628d-1 3.929395614d-1
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5.902730589d-2 3.191828952d-1 5.639423893d-1 2.284796537d-1
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1.999839052d-2 1.395427440d-1 4.091508237d-1 4.708252119d-1 1.328082566d-1
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6.930234381d-3 5.634263745d-2 2.217065797d-1 4.411388883d-1 3.688112625d-1 7.787514504d-2
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5f
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6.952785407d-2
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1.156094555d-1 4.778940916d-2
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1.649233885d-1 7.487066646d-2 3.135787219d-2
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2.017831152d-1 1.001952178d-1 5.441006630d-2 3.037569283d-2
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1.670735676d0 2.072477219d-1 1.024709357d-1 5.531913898d-2 3.072866652d-2
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1.334096840d0 2.372312347d-1 1.269485144d-1 7.290318381d-2 4.351355997d-2 2.598071843d-2
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4.856637346d-1 6.125980914d-1
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1.909729355d-1 6.146060459d-1 3.059611271d-1
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9.174268830d-2 4.023496947d-1 4.937432100d-1 1.254001522d-1
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-7.301193568d-4 8.414991343d-2 3.923683153d-1 5.040033146d-1 1.328979300d-1
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-9.486751531d-4 4.624275998d-2 2.373699784d-1 4.589112231d-1 3.205010548d-1 5.077063693d-2
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5g
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8.565417784d-2
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1.554531559d-1 5.854079811d-2
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2.545432122d-1 1.006544376d-1 4.624463922d-2
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3.945205573d-1 1.588100623d-1 7.646521729d-1 3.898703611d-2
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5.895429375d-1 2.393343780d-1 1.172646904d-1 6.254074479d-2 3.411243214d-2
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8.574668996d-1 3.497184772d-1 1.727917060d-1 9.373643151d-2 5.340032759d-2 3.051364464d-2
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4.848298074d-1 6.539381621d-1
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1.780980905d-1 6.063757846d-1 3.828552923d-1
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6.010484250d-2 3.309738329d-1 5.655207585d-1 2.171122608d-1
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1.998085812d-2 1.460384050d-1 4.230565459d-1 4.635699665d-1 1.226411691d-1
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6.729778096d-3 5.874145170d-2 2.339955227d-1 4.512983737d-1 3.552053926d-1 6.974153145d-2
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