!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: Ahlrichs pVDZ ! Description: VDZP Valence Double Zeta + Polarization on All Atoms ! Role: orbital ! Version: 0 (Data from the original Basis Set Exchange) !---------------------------------------------------------------------- $DATA HYDROGEN S 3 1 13.010701 0.19682158E-01 2 1.9622572 0.13796524 3 0.44453796 0.47831935 S 1 1 0.12194962 1.0000000 P 1 1 0.800000 1.000000 HELIUM S 3 1 38.354936737 0.23814288905E-01 2 5.7689081479 0.15490906777 3 1.2399407035 0.46998096633 S 1 1 0.29757815953 1.0 P 1 1 1.000000 1.000000 LITHIUM S 5 1 266.27785516 0.64920150325E-02 2 40.069783447 0.47747863215E-01 3 9.0559944389 0.20268796111 4 2.4503009051 0.48606574817 5 0.72209571855 0.43626977955 S 1 1 0.052810884721 1.0 S 1 1 0.020960948798 1.0 P 1 1 0.170000 1.000000 BERYLLIUM S 5 1 515.18616125 0.55615307983E-02 2 77.511037595 0.41190068062E-01 3 17.552481693 0.17913378108 4 4.8028940596 0.44736716455 5 1.4516214316 0.42009581920 S 1 1 0.13281633620 1.0 S 1 1 0.045837372213 1.0 P 3 1 3.6316917145 -.029033998305 2 0.71695694366 -.16877854032 3 0.19541932860 -.51403419628 P 1 1 0.06051546589 1.0000000000 BORON S 5 1 839.31830086 -0.55929201074E-02 2 126.26464843 -0.41565520771E-01 3 28.620600763 -0.18299816983 4 7.8793722710 -0.46540391866 5 2.4088857172 -0.44173884791 S 1 1 0.25105109036 1.0 S 1 1 0.083648866069 1.0 P 3 1 6.0332223619 -0.35603672456E-01 2 1.2499157866 -0.19895775769 3 0.33871676350 -0.50850202618 P 1 1 0.096415632351 1.0 D 1 1 0.500000 1.000000 CARBON S 5 1 1238.4016938 0.0054568832082 2 186.29004992 0.0406384092110 3 42.251176346 0.18025593888 4 11.676557932 0.46315121755 5 3.5930506482 0.44087173314 S 1 1 0.40245147363 1.0 S 1 1 0.13090182668 1.0 P 3 1 9.4680970621 0.038387871728 2 2.0103545142 0.21117025112 3 0.54771004707 0.51328172114 P 1 1 0.15268613795 1.0 D 1 1 0.800000 1.000000 NITROGEN S 5 1 1712.8415853 -0.53934125305E-02 2 257.64812677 -0.40221581118E-01 3 58.458245853 -0.17931144990 4 16.198367905 -0.46376317823 5 5.0052600809 -0.44171422662 S 1 1 0.58731856571 1.0000000000 S 1 1 0.18764592253 1.0000000000 P 3 1 13.571470233 -0.40072398852E-01 2 2.9257372874 -0.21807045028 3 0.79927750754 -0.51294466049 P 1 1 0.21954348034 1.0000000000 D 1 1 1.000000 1.000000 OXYGEN S 5 1 2266.1767785 -0.53431809926E-02 2 340.87010191 -0.39890039230E-01 3 77.363135167 -0.17853911985 4 21.479644940 -0.46427684959 5 6.6589433124 -0.44309745172 S 1 1 0.80975975668 1.0000000000 S 1 1 0.25530772234 1.0000000000 P 3 1 17.721504317 0.43394573193E-01 2 3.8635505440 0.23094120765 3 1.0480920883 0.51375311064 P 1 1 0.27641544411 1.0000000000 D 1 1 1.200000 1.000000 FLUORINE S 5 1 2894.8325990 -0.53408255515E-02 2 435.41939120 -0.39904258866E-01 3 98.843328866 -0.17912768038 4 27.485198001 -0.46758090825 5 8.5405498171 -0.44653131020 S 1 1 1.0654578038 1.0000000000 S 1 1 0.33247346748 1.0000000000 P 3 1 22.696633924 -0.45212874436E-01 2 4.9872339257 -0.23754317067 3 1.3491613954 -0.51287353587 P 1 1 0.34829881977 1.0000000000 D 1 1 1.400000 1.000000 NEON S 5 1 3598.9736625 -0.53259297003E-02 2 541.32073112 -0.39817417969E-01 3 122.90450062 -0.17914358188 4 34.216617022 -0.46893582977 5 10.650584124 -0.44782537577 S 1 1 1.3545953960 1.0000000000 S 1 1 0.41919362639 1.0000000000 P 3 1 28.424053785 -0.46031944795E-01 2 6.2822510953 -0.23993183041 3 1.6978715079 -0.50871724964 P 1 1 0.43300700172 1.0000000000 D 1 1 1.888000 1.000000 SODIUM S 5 1 4098.2003908 -0.58535911879E-02 2 616.49374031 -0.43647161872E-01 3 139.96644001 -0.19431465884 4 39.073441051 -0.48685065731 5 11.929847205 -0.41881705137 S 3 1 20.659966030 0.85949689854E-01 2 1.9838860978 -0.56359144041 3 0.64836323942 -0.51954009048 S 1 1 0.52443967404E-01 1.0000000000 S 1 1 0.28048160742E-01 1.0000000000 P 5 1 75.401862017 0.154353625324E-01 2 17.274818978 0.997382931840E-01 3 5.1842347425 0.312095939659 4 1.6601211973 0.492956748074 5 0.51232528958 0.324203983180 P 1 1 0.052000 1.000000 MAGNESIUM S 5 1 4953.8339196 -0.57778967498E-02 2 745.18044154 -0.43124761082E-01 3 169.21604972 -0.19268216987 4 47.300672019 -0.48641439116 5 14.461336973 -0.42550894077 S 3 1 24.768174789 0.87956969984E-01 2 2.4940945349 -0.55165058128 3 0.87807584533 -0.53443294833 S 1 1 0.87212782497E-01 1.0000000000 S 1 1 0.33599293780E-01 1.0000000000 P 5 1 98.053010494 -0.14480564601E-01 2 22.586932277 -0.95495750787E-01 3 6.8391509842 -0.30787672651 4 2.2332843818 -0.49936292886 5 0.71606599387 -0.31503476213 P 1 1 .18914796195 1.0000 ALUMINUM S 5 1 5887.5727030 0.13483347987E-02 2 885.61225996 0.10071576809E-01 3 201.13604899 0.45132454056E-01 4 56.284974674 0.11461268043 5 17.229551243 0.10159608943 S 3 1 29.340249922 0.69347454208E-01 2 3.0439630420 -0.42528117679 3 1.1285539518 -0.41449832210 S 1 1 0.14234175160 1.0000000000 S 1 1 0.54400192313E-01 1.0000000000 P 5 1 145.11918809 0.63963373134E-02 2 33.717894833 0.44189359965E-01 3 10.369863083 0.15581575993 4 3.5135616036 0.28635286951 5 1.1980050273 0.22921423248 P 1 1 0.26583005913 1.0000000000 P 1 1 0.71003361994E-01 1.0000000000 D 1 1 0.300000 1.000000 SILICON S 5 1 6903.7118686 0.13373962995E-02 2 1038.4346419 0.99966546241E-02 3 235.87581480 0.44910165101E-01 4 66.069385169 0.11463638540 5 20.247945761 0.10280063858 S 3 1 34.353481730 0.70837285010E-01 2 3.6370788192 -0.43028836252 3 1.4002048599 -0.41382774969 S 1 1 0.20484414805 1.0000000000 S 1 1 0.77994095468E-01 1.0000000000 P 5 1 179.83907373 0.61916656462E-02 2 41.907258846 0.43399431982E-01 3 12.955294367 0.15632019351 4 4.4383267393 0.29419996982 5 1.5462247904 0.23536823814 P 1 1 0.35607612302 1.0000000000 P 1 1 0.10008513762 1.0000000000 D 1 1 0.350000 1.000000 PHOSPHORUS S 5 1 8002.4795106 0.57503489302E-02 2 1203.6813590 0.43007628959E-01 3 273.44227031 0.19363986252 4 76.655541517 0.49651693399 5 23.516927435 0.44983262479 S 3 1 39.791683439 0.95188129789E-01 2 4.2770343323 -0.57649840368 3 1.6940256888 -0.54239583865 S 1 1 0.27567674644 1.0000000000 S 1 1 0.10495590099 1.0000000000 P 5 1 219.50755823 0.92100565257E-02 2 51.274155030 0.65409765745E-01 3 15.921595892 0.24033730279 4 5.5069913481 0.46318321788 5 1.9537719426 0.37392563382 P 1 1 0.47803397932 1.0000000000 P 1 1 0.13657952621 1.0000000000 D 1 1 0.450000 1.000000 SULFUR S 5 1 9184.9303010 -0.22294387756E-02 2 1381.5105503 -0.16683029937E-01 3 313.87147580 -0.75262436116E-01 4 88.053870623 -0.19376827038 5 27.039914905 -0.17718020803 S 3 1 45.648731303 -0.10736062573 2 4.9664522326 0.65066293018 3 2.0116242047 0.59712155354 S 1 1 0.35661077013 1.0000000000 S 1 1 0.13507221477 1.0000000000 P 5 1 261.98233439 -0.92729929822E-02 2 61.306894736 -0.66547669241E-01 3 19.103729887 -0.24828595903 4 6.6567720378 -0.48703847402 5 2.3959635161 -0.39337850312 P 1 1 0.61776161679 1.0000000000 P 1 1 0.16993376871 1.0000000000 D 1 1 0.550000 1.000000 CHLORINE S 5 1 10449.827566 0.19708362484E-02 2 1571.7365221 0.14754727977E-01 3 357.12065523 0.66679112875E-01 4 100.25185935 0.17228924084 5 30.812727554 0.15883786100 S 3 1 51.923789434 -0.10009298909 2 5.7045760975 0.60841752753 3 2.3508376809 0.54352153355 S 1 1 0.44605124672 1.0000000000 S 1 1 0.16848856190 1.0000000000 P 5 1 307.66790569 -0.87801484118E-02 2 72.102015515 -0.63563355471E-01 3 22.532680262 -0.24016428276 4 7.8991765444 -0.47798866557 5 2.8767268321 -0.38515850005 P 1 1 0.77459363955 1.0000000000 P 1 1 0.21037699698 1.0000000000 D 1 1 0.650000 1.000000 ARGON S 5 1 11797.119765 0.0020214479973 2 1774.3522753 0.0151398526880 3 403.18875733 0.0685254008730 4 113.24933999 0.17762929207 5 34.835298193 0.16496495001 S 3 1 58.614775042 -0.10343394000 2 6.4922045078 0.63133365899 3 2.7117014403 0.54887572301 S 1 1 0.54412974538 1.0000000000 S 1 1 0.20517411136 1.0000000000 P 5 1 356.28707256 -0.87321783271E-02 2 83.593132866 -0.63680317444E-01 3 26.186704029 -0.24311906886 4 9.2257275925 -0.48956069653 5 3.3922754954 -0.39229190040 P 1 1 0.94740534010 1.0000000000 P 1 1 0.25659135062 1.0000000000 D 1 1 0.969000 1.000000 POTASSIUM S 6 1 31478.746764 0.39838653994E-02 2 4726.8876066 0.30501759762E-01 3 1075.4345353 0.15073752622 4 303.39811023 0.51912939801 5 98.327112831 1.0366957005 6 33.636222177 0.76398963199 S 3 1 65.639209962 -0.28242617106 2 7.3162592218 1.6914935860 3 2.8902580135 1.2965331953 S 3 1 4.5459748965 -0.76343555273E-02 2 0.70404124062 0.25635718960E-01 3 0.28266888959 0.16606859208E-01 S 1 1 0.29058164020E-01 1.0000000000 S 1 1 0.12111638157E-01 1.0000000000 P 5 1 361.22492154 0.20906479823E-01 2 84.670222166 0.15043641740 3 26.469088236 0.55440061077 4 9.2658077615 1.0409009991 5 3.3423388293 0.67825341194 P 3 1 1.5100876104 0.75248191146 2 0.56568375163 1.3708585031 3 0.20817008495 0.66047633079 P 1 1 0.041737 1.000000 CALCIUM S 6 1 35138.713929 0.39482520740E-02 2 5276.4111348 0.30234243552E-01 3 1200.4692589 0.14952019681 4 338.71810542 0.51597345713 5 109.85385922 1.0339510296 6 37.608880299 0.76937933526 S 3 1 73.107977555 -0.28268525011 2 8.2407705688 1.6796092142 3 3.2959812993 1.2803766016 S 3 1 5.2341800914 -0.76868604561E-02 2 0.84187220515 0.25382375978E-01 3 0.36510294029 0.16512171511E-01 S 1 1 0.51222402884E-01 1.0000000000 S 1 1 0.19825111408E-01 1.0000000000 P 5 1 413.11313893 0.20327135354E-01 2 96.935786224 0.14730276362 3 30.372154659 0.54887167322 4 10.684776830 1.0440659818 5 3.8821258350 0.68653490684 P 3 1 1.7993016295 0.75410246871 2 0.69189056530 1.3409296599 3 0.26364024096 0.56391989435 P 1 1 0.074979 1.000000 SCANDIUM S 6 1 38956.081804 0.39293205858E-02 2 5849.5733637 0.30093221229E-01 3 1330.8813154 0.14890370950 4 375.55534165 0.51464282906 5 121.87261370 1.0337708070 6 41.760243729 0.77436851627 S 3 1 81.060633953 -0.28318552316 2 9.2059823972 1.6770806984 3 3.7063215732 1.2594733678 S 3 1 5.9888909988 -0.77821367493E-02 2 0.97363432378 0.25499692745E-01 3 0.42041019223 0.16191560820E-01 S 1 1 0.059440551913 1.0 S 1 1 0.022897806303 1.0 P 5 1 466.31481262 0.019984300385 2 109.51217097 0.14561043072 3 34.375921827 0.54687466223 4 12.142096955 1.0479006012 5 4.4336767669 0.68894890327 P 3 1 2.0971291866 0.75619214724 2 0.80977606956 1.3178212235 3 0.30834046588 0.54312268173 P 1 1 0.089748 1.000000 D 4 1 19.240334928 0.27039082144E-01 2 5.1178995899 0.13803684743 3 1.6554278827 0.34869086403 4 0.54016355610 0.48594185717 D 1 1 0.16211214518 1.0 TITANIUM S 6 1 42961.512185 0.39127635355E-02 2 6450.9759169 0.29969820489E-01 3 1467.7210915 0.14836352707 4 414.20997355 0.51347285324 5 134.48715840 1.0335365483 6 46.122209796 0.77854233930 S 3 1 89.447762543 -0.28385401259 2 10.223346060 1.6772785333 3 4.1353774271 1.2411928456 S 3 1 6.7896181452 -0.78399994518E-02 2 1.1106730691 0.25495493019E-01 3 0.47565975578 0.16061172892E-01 S 1 1 0.65986956934E-01 1.0000000000 S 1 1 0.25210342250E-01 1.0000000000 P 5 1 522.03684782 0.19754179642E-01 2 122.68649489 0.14460677619 3 38.572903611 0.54669004165 4 13.672169319 1.0531647540 5 5.0118529359 0.69111213363 P 3 1 2.4131928282 0.75803437136 2 0.93252270050 1.3036241399 3 0.35429058390 0.53638653300 P 1 1 0.101561 1.000000 D 4 1 23.465125957 0.26536380115E-01 2 6.3332593832 0.13796453963 3 2.0766489946 0.35312644228 4 0.69027361954 0.48647124166 D 1 1 0.21088738554 0.33026314258 VANADIUM S 6 1 47160.376060 0.14498688908E-02 2 7081.4110871 0.11106435251E-01 3 1611.1621223 0.55005423585E-01 4 454.72940551 0.19060252591 5 147.71321208 0.38435022957 6 50.699538950 0.29095546792 S 3 1 98.262492669 -0.10942337856 2 11.294293099 0.64539490399 3 4.5853360105 0.47117880777 S 3 1 7.6359689588 -0.22454949054 2 1.2539836689 0.72594852764 3 0.53271935387 0.45560582748 S 1 1 0.72246239566E-01 1.0000000000 S 1 1 0.27358087448E-01 1.0000000000 P 5 1 580.55044988 0.97315110917E-02 2 136.52341127 0.71531241137E-01 3 42.983958820 0.27197688414 4 15.282798763 0.52618988893 5 5.6202495154 0.34452533498 P 3 1 2.7485386415 0.34040396496 2 1.0618550073 0.57983996120 3 0.40235518645 0.23911643083 P 1 1 0.111248 1.000000 D 4 1 27.358434017 0.26641927050E-01 2 7.4540604253 0.13995311726 3 2.4633917847 0.35751066639 4 0.82480925277 0.48488354148 D 1 1 0.25257904742 0.32332844995 CHROMIUM S 6 1 51528.086349 0.14405823106E-02 2 7737.2103487 0.11036202287E-01 3 1760.3748470 0.54676651806E-01 4 496.87706544 0.18965038103 5 161.46520598 0.38295412850 6 55.466352268 0.29090050668 S 3 1 107.54732999 -0.10932281100 2 12.408671897 0.64472599471 3 5.0423628826 0.46262712560 S 3 1 8.5461640165 -0.22711013286 2 1.3900441221 0.73301527591 3 0.56066602876 0.44225565433 S 1 1 0.71483705972E-01 1.0000000000 S 1 1 0.28250687604E-01 1.0000000000 P 5 1 640.48536096 0.96126715203E-02 2 150.69711194 0.70889834655E-01 3 47.503755296 0.27065258990 4 16.934120165 0.52437343414 5 6.2409680590 0.34107994714 P 3 1 3.0885463206 0.33973986903 2 1.1791047769 0.57272062927 3 0.43369774432 0.24582728206 P 1 1 0.120675 1.000000 D 4 1 27.559479426 0.30612488044E-01 2 7.4687020327 0.15593270944 3 2.4345903574 0.36984421276 4 0.78244754808 0.47071118077 D 1 1 0.21995774311 0.33941649889 MANGANESE S 6 1 56137.009037 0.14321304702E-02 2 8429.2063943 0.10972509162E-01 3 1917.8277233 0.54382468712E-01 4 541.36230198 0.18884335129 5 176.00069142 0.38198025054 6 60.500477010 0.29156772596 S 3 1 117.17282882 -0.10933661328 2 13.596973368 0.64305039431 3 5.5483996341 0.45848970584 S 3 1 9.4662853530 -0.22538977259 2 1.5595006070 0.72307758657 3 0.65230205868 0.45300721536 S 1 1 0.84003734475E-01 1.0000000000 S 1 1 0.31256098581E-01 1.0000000000 P 5 1 706.00497535 0.95055518167E-02 2 166.19728820 0.70356271142E-01 3 52.452061906 0.27005556982 4 18.746932862 0.52574344602 5 6.9282991622 0.34254033223 P 3 1 3.4772204938 0.33994073736 2 1.3406906449 0.57203836254 3 0.50498803038 0.23847605831 P 1 1 0.127650 1.000000 D 4 1 35.423264935 0.26985304111E-01 2 9.7814221451 0.14383458648 3 3.2673488767 0.36418958377 4 1.1026472189 0.48152670661 D 1 1 0.33743205934 0.31458754360 IRON S 6 1 60923.640643 0.14302254466E-02 2 9147.8893982 0.10958790038E-01 3 2081.3505927 0.54332554248E-01 4 587.55977067 0.18884995009 5 191.09043990 0.38253069946 6 65.732730112 0.29308335984 S 3 1 127.25891928 -0.10964564925 2 14.830913010 0.64387631332 3 6.0653307408 0.45472347323 S 3 1 10.449943710 -0.22539639952 2 1.7245228003 0.72164398156 3 0.71772177325 0.44985492922 S 1 1 0.91449828308E-01 1.0000000000 S 1 1 0.33706691021E-01 1.0000000000 P 5 1 773.43750995 0.94325735144E-02 2 182.15149714 0.70029620575E-01 3 57.547272758 0.26993651996 4 20.614988935 0.52700011047 5 7.6348557890 0.34284148028 P 3 1 3.8719327990 0.33974402988 2 1.4924724132 0.56842594005 3 0.56061284958 0.23649365839 P 1 1 0.134915 1.000000 D 4 1 38.968133419 0.27879664382E-01 2 10.800067078 0.14858319982 3 3.6136457999 0.36905479496 4 1.2129967888 0.47745100883 D 1 1 0.36524393170 0.31418142304 COBALT S 6 1 65902.208257 0.14284614936E-02 2 9895.3896027 0.10946072783E-01 3 2251.4305789 0.54285953890E-01 4 635.61097084 0.18885179079 5 206.78820681 0.38301634994 6 71.179242971 0.29443551266 S 3 1 137.77268040 -0.10990221736 2 16.118079243 0.64455537395 3 6.6030327710 0.45116787924 S 3 1 11.479915788 -0.22593846910 2 1.8956426324 0.72231409008 3 0.78466232067 0.44903812296 S 1 1 0.98425774432E-01 1.0000000000 S 1 1 0.35945741932E-01 1.0000000000 P 5 1 843.64358575 0.93866097254E-02 2 198.76386994 0.69880208716E-01 3 62.854963098 0.27037070345 4 22.562842280 0.52904786880 5 8.3713209127 0.34357029579 P 3 1 4.2858719800 0.34027999036 2 1.6508041817 0.56693392384 3 0.61834231096 0.23617979783 P 1 1 0.141308 1.000000 D 4 1 42.927867612 0.28487788365E-01 2 11.942533053 0.15206951283 3 4.0046495664 0.37310913999 4 1.3413193804 0.47549837676 D 1 1 0.40015009743 0.31346831424 NICKEL S 6 1 71074.803211 0.14260386729E-02 2 10672.020941 0.10928236994E-01 3 2428.1389007 0.54212626938E-01 4 685.53595148 0.18874768902 5 223.10072863 0.38324616985 6 76.842014042 0.29550637144 S 3 1 148.71122016 -0.11014443059 2 17.459154987 0.64521426988 3 7.1625280665 0.44797838103 S 3 1 12.556137125 -0.22645403224 2 2.0735740488 0.72320959286 3 0.85382640602 0.44868026476 S 1 1 0.10536766271 1.0000000000 S 1 1 0.38134087688E-01 1.0000000000 P 5 1 916.73608662 0.93439635610E-02 2 216.06139913 0.69737374902E-01 3 68.383914817 0.27073495012 4 24.593843952 0.53078301549 5 9.1392960204 0.34410229438 P 3 1 4.7193371746 0.34076082016 2 1.8161849234 0.56580169611 3 0.67840750720 0.23616717361 P 1 1 0.146588 1.000000 D 4 1 47.093832108 0.28982316948E-01 2 13.146463975 0.15494995950 3 4.4170548925 0.37633115111 4 1.4771565078 0.47365096014 D 1 1 0.43735921792 0.31247837833 COPPER S 6 1 76381.348056 0.14336079896E-02 2 11468.777499 0.10986749865E-01 3 2609.4246495 0.54513652465E-01 4 736.75033098 0.18990128258 5 239.82419958 0.38581959211 6 82.656829252 0.29790607498 S 3 1 160.13544196 -0.11146778567 2 18.834177695 0.65349301031 3 7.7176595741 0.44770534421 S 3 1 13.710846717 -0.22870911122 2 2.2349895670 0.73464423031 3 0.87818360069 0.43273070874 S 1 1 0.87187458064E-01 1.0000000000 S 1 1 0.32969114665E-01 1.0000000000 P 5 1 991.24075782 0.93878498798E-02 2 233.69376116 0.70208282458E-01 3 74.020930927 0.27323522220 4 26.664967447 0.53580792728 5 9.9192087478 0.34575794906 P 3 1 5.1519553926 0.34229108083 2 1.9638205828 0.56456592484 3 0.71560097037 0.24078584318 P 1 1 0.155065 1.000000 D 4 1 47.335049590 0.32375547758E-01 2 13.161666077 0.16810218684 3 4.3693777244 0.38477707982 4 1.4132925109 0.46147880178 D 1 1 0.38878001452 0.32388873258 ZINC S 6 1 82000.711629 0.14210764000E-02 2 12312.471777 0.10891499487E-01 3 2801.3944193 0.54057188059E-01 4 790.99424302 0.18847463904 5 257.56551079 0.38346549346 6 88.814933400 0.29723794197 S 3 1 171.86353716 -0.11051849523 2 20.302534785 0.64607716984 3 8.3464123068 0.44220117322 S 3 1 14.847536940 -0.22705309278 2 2.4495029507 0.72433217935 3 0.99845821824 0.44836495592 S 1 1 0.11891307937 1.0000000000 S 1 1 0.42297428760E-01 1.0000000000 P 5 1 1071.5185372 0.92767797235E-02 2 252.69712152 0.69541149434E-01 3 80.100829126 0.27156772564 4 28.903393172 0.53401355573 5 10.768899879 0.34501323446 P 3 1 5.6446212530 0.34129600164 2 2.1678291347 0.56390521973 3 0.80540898341 0.23676109735 P 1 1 0.162455 1.000000 D 4 1 56.088939191 0.29588869140E-01 2 15.751908917 0.158725714045 3 5.3115812367 0.379762291591 4 1.7737904917 0.468989591719 D 1 1 0.51975583665 0.309071490776 GALLIUM S 6 1 87842.126296 0.14271588798E-02 2 13189.496402 0.10938894097E-01 3 3000.9482141 0.54308200127E-01 4 847.38425966 0.18951055983 5 276.00980642 0.38615185918 6 95.216672071 0.30051082719 S 3 1 184.00703968 -0.11124461963 2 21.827051433 0.64831322918 3 9.0026963761 0.44358383594 S 3 1 16.033176938 -0.23014299555 2 2.6707724878 0.72946861516 3 1.1252834170 0.46214976951 S 1 1 0.15967608829 1.0 S 1 1 0.057643044753 1.0 P 5 1 1167.2665844 0.90974021307E-02 2 275.38062789 0.68456273343E-01 3 87.375073070 0.26922293888 4 31.597254670 0.53507897882 5 11.824122798 0.35279062760 P 3 1 6.2881845133 0.33938244530 2 2.5199853240 0.56871947608 3 1.0169726306 0.27717694939 P 1 1 0.24748373604 1.0000000000 P 1 1 0.66685294163E-01 1.0000000000 D 4 1 65.354237674 0.27370146382E-01 2 18.504656747 0.15099463976 3 6.3179620632 0.37485328545 4 2.1641389426 0.47510606851 D 1 1 0.66693092754 0.29843287401 D 1 1 0.2070 1.000000 GERMANIUM S 6 1 93889.836642 0.14233976060E-02 2 14097.497528 0.10910795654E-01 3 3207.5477309 0.54183705943E-01 4 905.76727269 0.18922820349 5 295.11014693 0.38612847001 6 101.84713141 0.30164050736 S 3 1 196.56719662 -0.11118770940 2 23.405292522 0.64616007369 3 9.6839116702 0.44188904568 S 3 1 17.269736544 -0.23027421375 2 2.8964622160 0.73017169398 3 1.2553621412 0.46197222255 S 1 1 0.20213081492 1.0000000000 S 1 1 0.73867910982E-01 1.0000000000 P 5 1 1259.2085995 0.90115464252E-02 2 297.15626382 0.67986841689E-01 3 94.353387522 0.26853856488 4 34.176329677 0.53659649219 5 12.816139615 0.35633514961 P 3 1 6.8471029784 0.33900693119 2 2.7717363939 0.56809365264 3 1.1458418175 0.27246539884 P 1 1 0.30679631536 1.0000000000 P 1 1 0.89283644115E-01 1.0000000000 D 4 1 74.782168177 0.25755860205E-01 2 21.310849759 0.14536816132 3 7.3464792363 0.37134209859 4 2.5656271395 0.48002998436 D 1 1 0.81981773070 0.28978790744 D 1 1 0.2460 1.000000 ARSENIC S 6 1 100146.52554 0.14258349617E-02 2 15036.861711 0.10930176963E-01 3 3421.2902833 0.54294174610E-01 4 966.16965717 0.18976078153 5 314.87394026 0.38775195453 6 108.70823790 0.30402812040 S 3 1 209.54238950 -0.11162094204 2 25.038221139 0.64697607762 3 10.390964343 0.44223608673 S 3 1 18.555090093 -0.22994190569 2 3.1281217449 0.73319107613 3 1.3884885073 0.45533653943 S 1 1 0.24714362141 1.0000000000 S 1 1 0.91429428670E-01 1.0000000000 P 5 1 1355.6443507 0.89182507898E-02 2 319.99929270 0.67454750717E-01 3 101.67734092 0.26759772110 4 36.886323845 0.53776844520 5 13.861115909 0.35992570244 P 3 1 7.4260666912 0.34036849637 2 3.0316247187 0.57030149334 3 1.2783078340 0.26606170238 P 1 1 0.37568503356 1.0000000000 P 1 1 0.11394805454 1.0000000000 D 4 1 84.445514539 0.24518402724E-01 2 24.190416102 0.14107454677 3 8.4045015119 0.36875228915 4 2.9808970748 0.48409561362 D 1 1 0.97909243359 0.28250268781 D 1 1 0.2930 1.000000 SELENIUM S 6 1 106612.20027 0.14274889113E-02 2 16007.604701 0.10943525114E-01 3 3642.1699707 0.54374171596E-01 4 1028.5912993 0.19018092947 5 335.30298888 0.38913021696 6 115.80129154 0.30620207088 S 3 1 222.93325020 -0.11198808009 2 26.726257934 0.64752124207 3 11.124501923 0.44241976651 S 3 1 19.888520061 -0.22857227762 2 3.3668473803 0.73591359951 3 1.5249277839 0.44330199577 S 1 1 0.29630037912 1.0000000000 S 1 1 0.11009288974 1.0000000000 P 5 1 1455.9068120 0.88203597043E-02 2 343.75101831 0.66875851967E-01 3 109.29554964 0.26640578080 4 39.707711022 0.53834928422 5 14.950185232 0.36303281993 P 3 1 8.0208962094 0.34153807025 2 3.2934649756 0.57257906583 3 1.4058602438 0.25549813222 P 1 1 0.45076123226 1.0000000000 P 1 1 0.13353413325 1.0000000000 D 4 1 94.494024044 0.23490101098E-01 2 27.188185260 0.13747735767E+00 3 9.5091567352 0.36649929124E+00 4 3.4170516853 0.48750989884E+00 D 1 1 1.1479590083 0.27657943383E+00 D 1 1 0.3380 1.000000 BROMINE S 6 1 113286.38776 0.14283037779E-02 2 17009.626303 0.10950417496E-01 3 3870.1842567 0.54421006604E-01 4 1093.0357227 0.19047907695 5 356.39721797 0.39024642737 6 123.12539643 0.30814432514 S 3 1 236.74084007 -0.11228065671 2 28.468661070 0.64775962312 3 11.883443722 0.44235575986 S 3 1 21.269633312 -0.22642576323 2 3.6129226841 0.73823712008 3 1.6626648969 0.42683868694 S 1 1 0.34823793232 1.0000000000 S 1 1 0.13019031394 1.0000000000 P 5 1 1560.2801881 0.87166669072E-02 2 368.47859205 0.66243637420E-01 3 117.22978849 0.26495610385 4 42.648909248 0.53839160587 5 16.087225096 0.36579387888 P 3 1 8.6352810058 0.34248787366 2 3.5613665502 0.57500678213 3 1.5292626609 0.24330394172 P 1 1 0.53064294848 1.0000000000 P 1 1 0.15702758965 1.0000000000 D 4 1 104.85518642 0.22650147581E-01 2 30.281143688 0.13455483230 3 10.651394267 0.36474454537 4 3.8699456233 0.49044587056 D 1 1 1.3240876762 0.27137289040 D 1 1 0.3890 1.000000 KRYPTON S 6 1 120165.64875 0.0014294234496 2 18042.500169 0.0109595970200 3 4105.1800388 0.0544796474700 4 1159.4447248 0.19081239122 5 378.13810346 0.39140445949 6 130.67610045 0.31007346689 S 3 1 250.96373353 -0.11258604011 2 30.265930380 0.64816322524 3 12.668110757 0.44240238994 S 3 1 22.697940101 -0.22391964908 2 3.8673017398 0.74060953026 3 1.8013706671 0.40803658445 S 1 1 0.40308639136 1.0 S 1 1 0.15170527749 1.0 P 5 1 1668.5736623 0.86215009803E-02 2 394.13862798 0.65665506884E-01 3 125.46644854 0.26366576697 4 45.704992729 0.53867658574 5 17.270133229 0.36865167502 P 3 1 9.2699487770 0.34346189015 2 3.8364617719 0.57784776196 3 1.6467163312 0.23075615197 P 1 1 0.61479686489 1.0 P 1 1 0.18319467414 1.0 D 4 1 115.55868603 0.21945485333E-01 2 33.477985864 0.13211212879 3 11.834450207 0.36333306964 4 4.3408254894 0.49300484446 D 1 1 1.5079273157 0.26676858913 D 1 1 0.4430 1.000000 $END