# all_value

name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Yb
data:
YTTERBIUM
S   29
  1      0.10067493E+09         1.74773195E-06   
  2 20366645.0000000            9.86610603E-06   
  3 4788484.0000000             5.60089327E-05   
  4 1293624.2000000             2.58412423E-04   
  5 396317.2000000              1.02449715E-03   
  6 135714.0800000              3.52781953E-03   
  7  51164.0210000              1.07441563E-02   
  8  20915.0180000              2.92354967E-02   
  9   9136.5004000              7.09510400E-02   
 10   4208.5020000              1.50130264E-01   
 11   2020.1938000              2.60631027E-01   
 12   1000.5685000              3.26707237E-01   
 13    507.1611400              2.30860590E-01   
 14    261.3869000              6.01307820E-02   
 15    136.3023600              2.78780647E-03   
 16     71.6464060              1.31199497E-04   
 17     37.8607080             -2.11808658E-05   
 18     20.0753520             -9.22799241E-05   
 19     10.6673190              6.41507440E-05   
 20      5.6753615             -4.59404129E-05   
 21      3.0216325              3.97220635E-05   
 22      1.6093698             -2.87030785E-05   
 23      0.85734009             2.04826295E-05   
 24      0.45676054            -1.45805656E-05   
 25      0.24335468             9.78576797E-06   
 26      0.12965713            -6.16776158E-06   
 27      0.69080386E-01         3.39647978E-06   
 28      0.36805561E-01        -1.43795392E-06   
 29      0.19609755E-01         3.39748312E-07   
S   29
  1      0.10067493E+09         5.78114435E-07   
  2 20366645.0000000            3.26348564E-06   
  3 4788484.0000000             1.85288973E-05   
  4 1293624.2000000             8.55125811E-05   
  5 396317.2000000              3.39383109E-04   
  6 135714.0800000              1.17187679E-03   
  7  51164.0210000              3.59456288E-03   
  8  20915.0180000              9.94099726E-03   
  9   9136.5004000              2.49941441E-02   
 10   4208.5020000              5.68148101E-02   
 11   2020.1938000              1.13441988E-01   
 12   1000.5685000              1.82872169E-01   
 13    507.1611400              1.81542922E-01   
 14    261.3869000             -5.44581488E-02   
 15    136.3023600             -4.82485861E-01   
 16     71.6464060             -5.01443074E-01   
 17     37.8607080             -1.34454683E-01   
 18     20.0753520             -5.93992400E-03   
 19     10.6673190              3.39720300E-04   
 20      5.6753615             -3.18263326E-04   
 21      3.0216325              5.09411732E-04   
 22      1.6093698             -3.77600572E-04   
 23      0.85734009             2.77712408E-04   
 24      0.45676054            -2.05250517E-04   
 25      0.24335468             1.38406848E-04   
 26      0.12965713            -8.79608876E-05   
 27      0.69080386E-01         4.85988142E-05   
 28      0.36805561E-01        -2.06126037E-05   
 29      0.19609755E-01         4.87399379E-06   
S   29
  1      0.10067493E+09         2.70149356E-07   
  2 20366645.0000000            1.52434811E-06   
  3 4788484.0000000             8.65949024E-06   
  4 1293624.2000000             3.99420711E-05   
  5 396317.2000000              1.58659712E-04   
  6 135714.0800000              5.47604762E-04   
  7  51164.0210000              1.68329608E-03   
  8  20915.0180000              4.66038791E-03   
  9   9136.5004000              1.18007213E-02   
 10   4208.5020000              2.70605359E-02   
 11   2020.1938000              5.53972937E-02   
 12   1000.5685000              9.27406573E-02   
 13    507.1611400              9.99134914E-02   
 14    261.3869000             -3.76440560E-02   
 15    136.3023600             -4.01310648E-01   
 16     71.6464060             -6.07108202E-01   
 17     37.8607080              8.97226744E-02   
 18     20.0753520              8.63618214E-01   
 19     10.6673190              3.81699812E-01   
 20      5.6753615              3.47779167E-02   
 21      3.0216325              1.19932919E-03   
 22      1.6093698              1.36168592E-03   
 23      0.85734009            -1.17213427E-03   
 24      0.45676054             8.22445842E-04   
 25      0.24335468            -6.20504843E-04   
 26      0.12965713             3.97382376E-04   
 27      0.69080386E-01        -2.23064635E-04   
 28      0.36805561E-01         9.53497759E-05   
 29      0.19609755E-01        -2.26464416E-05   
S   29
  1      0.10067493E+09        -1.30051469E-07   
  2 20366645.0000000           -7.33823673E-07   
  3 4788484.0000000            -4.16875517E-06   
  4 1293624.2000000            -1.92284339E-05   
  5 396317.2000000             -7.63839665E-05   
  6 135714.0800000             -2.63655897E-04   
  7  51164.0210000             -8.10678484E-04   
  8  20915.0180000             -2.24567462E-03   
  9   9136.5004000             -5.69366318E-03   
 10   4208.5020000             -1.30892808E-02   
 11   2020.1938000             -2.69362329E-02   
 12   1000.5685000             -4.55404623E-02   
 13    507.1611400             -4.99622716E-02   
 14    261.3869000              1.95211775E-02   
 15    136.3023600              2.22275527E-01   
 16     71.6464060              3.69505896E-01   
 17     37.8607080             -7.09833541E-02   
 18     20.0753520             -9.63051765E-01   
 19     10.6673190             -4.59717263E-01   
 20      5.6753615              7.30530078E-01   
 21      3.0216325              7.14003679E-01   
 22      1.6093698              1.29252253E-01   
 23      0.85734009             1.01866257E-02   
 24      0.45676054            -2.29412052E-03   
 25      0.24335468             2.63558749E-03   
 26      0.12965713            -1.61228804E-03   
 27      0.69080386E-01         9.23749667E-04   
 28      0.36805561E-01        -3.98439156E-04   
 29      0.19609755E-01         9.51890247E-05   
S   29
  1      0.10067493E+09        -4.78594123E-08   
  2 20366645.0000000           -2.70024591E-07   
  3 4788484.0000000            -1.53415250E-06   
  4 1293624.2000000            -7.07539327E-06   
  5 396317.2000000             -2.81111467E-05   
  6 135714.0800000             -9.70158246E-05   
  7  51164.0210000             -2.98385044E-04   
  8  20915.0180000             -8.26421608E-04   
  9   9136.5004000             -2.09664650E-03   
 10   4208.5020000             -4.82035255E-03   
 11   2020.1938000             -9.93711531E-03   
 12   1000.5685000             -1.68204921E-02   
 13    507.1611400             -1.85604594E-02   
 14    261.3869000              7.35616569E-03   
 15    136.3023600              8.41523619E-02   
 16     71.6464060              1.43531346E-01   
 17     37.8607080             -2.93565751E-02   
 18     20.0753520             -4.26049433E-01   
 19     10.6673190             -2.03746775E-01   
 20      5.6753615              4.25039015E-01   
 21      3.0216325              6.60182925E-01   
 22      1.6093698              1.18490103E-01   
 23      0.85734009            -5.40209424E-01   
 24      0.45676054            -6.25782679E-01   
 25      0.24335468            -2.01780083E-01   
 26      0.12965713            -9.10482328E-03   
 27      0.69080386E-01        -1.45387586E-03   
 28      0.36805561E-01         5.51474924E-04   
 29      0.19609755E-01        -1.24191323E-04   
S   29
  1      0.10067493E+09         1.15111319E-08   
  2 20366645.0000000            6.49493143E-08   
  3 4788484.0000000             3.68989786E-07   
  4 1293624.2000000             1.70186538E-06   
  5 396317.2000000              6.76113981E-06   
  6 135714.0800000              2.33359697E-05   
  7  51164.0210000              7.17649312E-05   
  8  20915.0180000              1.98796031E-04   
  9   9136.5004000              5.04269905E-04   
 10   4208.5020000              1.15971522E-03   
 11   2020.1938000              2.39029117E-03   
 12   1000.5685000              4.04894654E-03   
 13    507.1611400              4.46590342E-03   
 14    261.3869000             -1.76659642E-03   
 15    136.3023600             -2.03269457E-02   
 16     71.6464060             -3.47120355E-02   
 17     37.8607080              7.09424016E-03   
 18     20.0753520              1.04890995E-01   
 19     10.6673190              4.98737700E-02   
 20      5.6753615             -1.07099922E-01   
 21      3.0216325             -1.81823398E-01   
 22      1.6093698             -2.80396205E-02   
 23      0.85734009             1.62998732E-01   
 24      0.45676054             2.79110356E-01   
 25      0.24335468             2.35329913E-01   
 26      0.12965713            -1.28126983E-02   
 27      0.69080386E-01        -4.22890732E-01   
 28      0.36805561E-01        -5.10608041E-01   
 29      0.19609755E-01        -2.67452649E-01   
P   22
  1 396317.2000000              5.51070571E-06   
  2 135714.0800000              2.55359307E-05   
  3  51164.0210000              1.34964100E-04   
  4  20915.0180000              5.83270340E-04   
  5   9136.5004000              2.26708135E-03   
  6   4208.5020000              7.92616164E-03   
  7   2020.1938000              2.49100834E-02   
  8   1000.5685000              6.96403603E-02   
  9    507.1611400              1.63985909E-01   
 10    261.3869000              2.98906003E-01   
 11    136.3023600              3.55399073E-01   
 12     71.6464060              2.09033425E-01   
 13     37.8607080              4.11129881E-02   
 14     20.0753520              1.75732932E-03   
 15     10.6673190             -2.15990539E-04   
 16      5.6753615              8.46408010E-05   
 17      3.0216325             -1.52820533E-04   
 18      1.6093698              9.46502612E-05   
 19      0.85734009            -6.31409538E-05   
 20      0.45676054             3.70234902E-05   
 21      0.24335468            -1.68114749E-05   
 22      0.12965713             4.40359955E-06   
P   22
  1 396317.2000000             -2.70469644E-06   
  2 135714.0800000             -1.26854463E-05   
  3  51164.0210000             -6.63168132E-05   
  4  20915.0180000             -2.89817548E-04   
  5   9136.5004000             -1.12150321E-03   
  6   4208.5020000             -3.97720876E-03   
  7   2020.1938000             -1.26065497E-02   
  8   1000.5685000             -3.64271984E-02   
  9    507.1611400             -8.93357307E-02   
 10    261.3869000             -1.74890244E-01   
 11    136.3023600             -2.12108695E-01   
 12     71.6464060             -1.43434069E-02   
 13     37.8607080              4.20334886E-01   
 14     20.0753520              5.16046944E-01   
 15     10.6673190              1.65857019E-01   
 16      5.6753615              1.73841041E-02   
 17      3.0216325             -7.36750554E-04   
 18      1.6093698              1.52569944E-03   
 19      0.85734009            -9.72348525E-04   
 20      0.45676054             5.80061707E-04   
 21      0.24335468            -2.70043356E-04   
 22      0.12965713             7.32143120E-05   
P   22
  1 396317.2000000              1.27319797E-06   
  2 135714.0800000              6.05651053E-06   
  3  51164.0210000              3.12297335E-05   
  4  20915.0180000              1.38092145E-04   
  5   9136.5004000              5.29707008E-04   
  6   4208.5020000              1.89710971E-03   
  7   2020.1938000              5.99018736E-03   
  8   1000.5685000              1.75304388E-02   
  9    507.1611400              4.31819190E-02   
 10    261.3869000              8.65561094E-02   
 11    136.3023600              1.04546562E-01   
 12     71.6464060             -1.03861923E-02   
 13     37.8607080             -3.13062234E-01   
 14     20.0753520             -4.09155774E-01   
 15     10.6673190              1.39182134E-01   
 16      5.6753615              5.87540608E-01   
 17      3.0216325              4.10717015E-01   
 18      1.6093698              8.21193047E-02   
 19      0.85734009             8.54479456E-03   
 20      0.45676054            -1.06863757E-03   
 21      0.24335468             8.55086199E-04   
 22      0.12965713            -2.76842339E-04   
P   22
  1 396317.2000000              4.16965406E-07   
  2 135714.0800000              1.99829467E-06   
  3  51164.0210000              1.02288863E-05   
  4  20915.0180000              4.55063842E-05   
  5   9136.5004000              1.73704075E-04   
  6   4208.5020000              6.25007835E-04   
  7   2020.1938000              1.96734039E-03   
  8   1000.5685000              5.78395533E-03   
  9    507.1611400              1.42307566E-02   
 10    261.3869000              2.87220772E-02   
 11    136.3023600              3.45339823E-02   
 12     71.6464060             -4.45375048E-03   
 13     37.8607080             -1.12658502E-01   
 14     20.0753520             -1.47059556E-01   
 15     10.6673190              7.79972502E-02   
 16      5.6753615              2.86180901E-01   
 17      3.0216325              2.33706964E-01   
 18      1.6093698             -1.13718869E-01   
 19      0.85734009            -4.02495329E-01   
 20      0.45676054            -4.47031370E-01   
 21      0.24335468            -1.96212142E-01   
 22      0.12965713            -4.51411910E-02   
D   16
  1  20915.0180000              7.67094627E-06   
  2   9136.5004000              3.49724956E-05   
  3   4208.5020000              1.91233670E-04   
  4   2020.1938000              9.07866190E-04   
  5   1000.5685000              3.86776534E-03   
  6    507.1611400              1.50340637E-02   
  7    261.3869000              4.94769587E-02   
  8    136.3023600              1.35158248E-01   
  9     71.6464060              2.73784695E-01   
 10     37.8607080              3.73693094E-01   
 11     20.0753520              2.72803647E-01   
 12     10.6673190              8.06138280E-02   
 13      5.6753615              9.44620365E-03   
 14      3.0216325              3.30858043E-04   
 15      1.6093698              3.99064279E-04   
 16      0.85734009            -4.66278841E-06   
D   16
  1  20915.0180000              3.56248102E-06   
  2   9136.5004000              1.73017253E-05   
  3   4208.5020000              8.98575073E-05   
  4   2020.1938000              4.41970620E-04   
  5   1000.5685000              1.85205097E-03   
  6    507.1611400              7.34857114E-03   
  7    261.3869000              2.42427763E-02   
  8    136.3023600              6.80651172E-02   
  9     71.6464060              1.37653883E-01   
 10     37.8607080              1.77756292E-01   
 11     20.0753520              3.26896467E-02   
 12     10.6673190             -2.81690877E-01   
 13      5.6753615             -4.33014999E-01   
 14      3.0216325             -3.12663677E-01   
 15      1.6093698             -1.02048591E-01   
 16      0.85734009            -2.02923060E-02   
F   13
  1    507.1611400              3.81226858E-04   
  2    261.3869000              1.25459393E-03   
  3    136.3023600              6.25186653E-03   
  4     71.6464060              2.26417966E-02   
  5     37.8607080              6.54288234E-02   
  6     20.0753520              1.48939931E-01   
  7     10.6673190              2.42063272E-01   
  8      5.6753615              2.83460777E-01   
  9      3.0216325              2.63518363E-01   
 10      1.6093698              1.94570029E-01   
 11      0.85734009             1.24069094E-01   
 12      0.45676054             5.65556152E-02   
 13      0.24335468             2.57620531E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Lu
data:
LUTETIUM
S   28
  1 57801052.0000000            3.60458181E-06   
  2 11862288.0000000            1.99172558E-05   
  3 2811063.3000000             1.12560104E-04   
  4 760961.3200000              5.19618279E-04   
  5 232413.9800000              2.07374336E-03   
  6  79005.0980000              7.20233285E-03   
  7  29466.4680000              2.20571659E-02   
  8  11886.0920000              5.94714977E-02   
  9   5114.2865000              1.38192405E-01   
 10   2317.5570000              2.60001839E-01   
 11   1093.6304000              3.46180197E-01   
 12    532.2542800              2.48894822E-01   
 13    265.0484000              6.01198648E-02   
 14    134.1944700              2.30303713E-03   
 15     68.7410370             -1.00550716E-04   
 16     35.4950900              1.65788864E-04   
 17     18.4256670             -2.38622359E-04   
 18      9.5974190              1.85058261E-04   
 19      5.0095204             -1.35158808E-04   
 20      2.6180297              1.03613167E-04   
 21      1.3691561             -7.50488033E-05   
 22      0.71628937             5.31880271E-05   
 23      0.37480036            -3.71899174E-05   
 24      0.19613027             2.49615573E-05   
 25      0.10263651            -1.57122623E-05   
 26      0.53710982E-01         8.70670292E-06   
 27      0.28107697E-01        -3.73258783E-06   
 28      0.14709150E-01         8.98109333E-07   
S   28
  1 57801052.0000000            1.19324352E-06   
  2 11862288.0000000            6.59432627E-06   
  3 2811063.3000000             3.72679073E-05   
  4 760961.3200000              1.72167766E-04   
  5 232413.9800000              6.88208198E-04   
  6  79005.0980000              2.40270097E-03   
  7  29466.4680000              7.45013082E-03   
  8  11886.0920000              2.06991336E-02   
  9   5114.2865000              5.12874478E-02   
 10   2317.5570000              1.10260936E-01   
 11   1093.6304000              1.88672955E-01   
 12    532.2542800              1.94607970E-01   
 13    265.0484000             -6.72590273E-02   
 14    134.1944700             -5.26587642E-01   
 15     68.7410370             -4.84856796E-01   
 16     35.4950900             -9.75509901E-02   
 17     18.4256670             -4.50755107E-03   
 18      9.5974190              1.90301700E-03   
 19      5.0095204             -1.41360286E-03   
 20      2.6180297              1.25397063E-03   
 21      1.3691561             -9.28960461E-04   
 22      0.71628937             6.64998415E-04   
 23      0.37480036            -4.72125017E-04   
 24      0.19613027             3.18101256E-04   
 25      0.10263651            -2.00886793E-04   
 26      0.53710982E-01         1.11464363E-04   
 27      0.28107697E-01        -4.78045971E-05   
 28      0.14709150E-01         1.15019902E-05   
S   28
  1 57801052.0000000            5.58389057E-07   
  2 11862288.0000000            3.08763409E-06   
  3 2811063.3000000             1.74380682E-05   
  4 760961.3200000              8.06287592E-05   
  5 232413.9800000              3.22095137E-04   
  6  79005.0980000              1.12656933E-03   
  7  29466.4680000              3.49527519E-03   
  8  11886.0920000              9.77108805E-03   
  9   5114.2865000              2.43995020E-02   
 10   2317.5570000              5.37104926E-02   
 11   1093.6304000              9.54316822E-02   
 12    532.2542800              1.07075581E-01   
 13    265.0484000             -4.65089697E-02   
 14    134.1944700             -4.49560854E-01   
 15     68.7410370             -6.08196031E-01   
 16     35.4950900              2.69984008E-01   
 17     18.4256670              8.81438084E-01   
 18      9.5974190              2.54593743E-01   
 19      5.0095204              2.52185871E-02   
 20      2.6180297             -6.78456373E-03   
 21      1.3691561              6.44775704E-03   
 22      0.71628937            -4.98510270E-03   
 23      0.37480036             3.52975684E-03   
 24      0.19613027            -2.44178652E-03   
 25      0.10263651             1.55434327E-03   
 26      0.53710982E-01        -8.67566408E-04   
 27      0.28107697E-01         3.73316872E-04   
 28      0.14709150E-01        -8.99920810E-05   
S   28
  1 57801052.0000000           -2.69568802E-07   
  2 11862288.0000000           -1.49127743E-06   
  3 2811063.3000000            -8.41757949E-06   
  4 760961.3200000             -3.89459192E-05   
  5 232413.9800000             -1.55476767E-04   
  6  79005.0980000             -5.44371639E-04   
  7  29466.4680000             -1.68790345E-03   
  8  11886.0920000             -4.72989568E-03   
  9   5114.2865000             -1.18181015E-02   
 10   2317.5570000             -2.62033315E-02   
 11   1093.6304000             -4.68602462E-02   
 12    532.2542800             -5.39385853E-02   
 13    265.0484000              2.49032641E-02   
 14    134.1944700              2.49679456E-01   
 15     68.7410370              3.81314913E-01   
 16     35.4950900             -2.27717350E-01   
 17     18.4256670             -1.05182620E+00   
 18      9.5974190             -1.67577345E-01   
 19      5.0095204              8.91749777E-01   
 20      2.6180297              5.48960513E-01   
 21      1.3691561              4.21506578E-02   
 22      0.71628937             1.31450649E-02   
 23      0.37480036            -7.00541970E-03   
 24      0.19613027             5.27037418E-03   
 25      0.10263651            -3.33285825E-03   
 26      0.53710982E-01         1.87405420E-03   
 27      0.28107697E-01        -8.10322642E-04   
 28      0.14709150E-01         1.96023017E-04   
S   28
  1 57801052.0000000           -1.01372549E-07   
  2 11862288.0000000           -5.61080862E-07   
  3 2811063.3000000            -3.16510157E-06   
  4 760961.3200000             -1.46541912E-05   
  5 232413.9800000             -5.84556249E-05   
  6  79005.0980000             -2.04872957E-04   
  7  29466.4680000             -6.34560917E-04   
  8  11886.0920000             -1.78118865E-03   
  9   5114.2865000             -4.44438210E-03   
 10   2317.5570000             -9.88928554E-03   
 11   1093.6304000             -1.76581119E-02   
 12    532.2542800             -2.05595536E-02   
 13    265.0484000              9.78808358E-03   
 14    134.1944700              9.62905921E-02   
 15     68.7410370              1.53323646E-01   
 16     35.4950900             -9.94189843E-02   
 17     18.4256670             -4.77660553E-01   
 18      9.5974190             -7.12951016E-02   
 19      5.0095204              5.85893072E-01   
 20      2.6180297              6.20207751E-01   
 21      1.3691561             -1.61151978E-01   
 22      0.71628937            -7.09188509E-01   
 23      0.37480036            -4.74404983E-01   
 24      0.19613027            -5.55389795E-02   
 25      0.10263651            -8.66998344E-03   
 26      0.53710982E-01         4.08596519E-03   
 27      0.28107697E-01        -1.90381378E-03   
 28      0.14709150E-01         4.75198554E-04   
S   28
  1 57801052.0000000           -2.57071938E-08   
  2 11862288.0000000           -1.42299866E-07   
  3 2811063.3000000            -8.02622798E-07   
  4 760961.3200000             -3.71661436E-06   
  5 232413.9800000             -1.48231783E-05   
  6  79005.0980000             -5.19621338E-05   
  7  29466.4680000             -1.60907570E-04   
  8  11886.0920000             -4.51811050E-04   
  9   5114.2865000             -1.12698521E-03   
 10   2317.5570000             -2.50931334E-03   
 11   1093.6304000             -4.47840491E-03   
 12    532.2542800             -5.22490142E-03   
 13    265.0484000              2.50136198E-03   
 14    134.1944700              2.44857333E-02   
 15     68.7410370              3.92459720E-02   
 16     35.4950900             -2.57701930E-02   
 17     18.4256670             -1.23917749E-01   
 18      9.5974190             -1.89236733E-02   
 19      5.0095204              1.60696733E-01   
 20      2.6180297              1.83656702E-01   
 21      1.3691561             -5.57397069E-02   
 22      0.71628937            -2.56732672E-01   
 23      0.37480036            -3.24148988E-01   
 24      0.19613027            -1.13579996E-01   
 25      0.10263651             2.57406088E-01   
 26      0.53710982E-01         5.51289292E-01   
 27      0.28107697E-01         3.87508651E-01   
 28      0.14709150E-01         5.62720056E-02   
P   21
  1 232413.9800000              1.48084276E-05   
  2  79005.0980000              6.96694145E-05   
  3  29466.4680000              3.76829302E-04   
  4  11886.0920000              1.65211057E-03   
  5   5114.2865000              6.51753338E-03   
  6   2317.5570000              2.25150900E-02   
  7   1093.6304000              6.80734345E-02   
  8    532.2542800              1.69454076E-01   
  9    265.0484000              3.17015151E-01   
 10    134.1944700              3.66908371E-01   
 11     68.7410370              1.92973163E-01   
 12     35.4950900              2.88626000E-02   
 13     18.4256670              1.23921125E-03   
 14      9.5974190             -5.19104362E-04   
 15      5.0095204              2.81327990E-04   
 16      2.6180297             -2.64176013E-04   
 17      1.3691561              1.75518576E-04   
 18      0.71628937            -1.13202394E-04   
 19      0.37480036             6.57280362E-05   
 20      0.19613027            -3.01000589E-05   
 21      0.10263651             8.06231063E-06   
P   21
  1 232413.9800000             -7.34861897E-06   
  2  79005.0980000             -3.43392129E-05   
  3  29466.4680000             -1.87298981E-04   
  4  11886.0920000             -8.19006705E-04   
  5   5114.2865000             -3.26797140E-03   
  6   2317.5570000             -1.13996715E-02   
  7   1093.6304000             -3.55568765E-02   
  8    532.2542800             -9.24857474E-02   
  9    265.0484000             -1.86174406E-01   
 10    134.1944700             -2.17963139E-01   
 11     68.7410370              3.04840723E-02   
 12     35.4950900              4.93175530E-01   
 13     18.4256670              4.78842182E-01   
 14      9.5974190              1.08726215E-01   
 15      5.0095204              1.13660433E-02   
 16      2.6180297             -2.58461648E-03   
 17      1.3691561              2.39198222E-03   
 18      0.71628937            -1.59210602E-03   
 19      0.37480036             9.36474090E-04   
 20      0.19613027            -4.36602168E-04   
 21      0.10263651             1.18572735E-04   
P   21
  1 232413.9800000             -3.51886093E-06   
  2  79005.0980000             -1.61946773E-05   
  3  29466.4680000             -8.96845157E-05   
  4  11886.0920000             -3.87802638E-04   
  5   5114.2865000             -1.56517618E-03   
  6   2317.5570000             -5.43080198E-03   
  7   1093.6304000             -1.71756417E-02   
  8    532.2542800             -4.48395045E-02   
  9    265.0484000             -9.26451882E-02   
 10    134.1944700             -1.07295519E-01   
 11     68.7410370              3.85715379E-02   
 12     35.4950900              3.76630492E-01   
 13     18.4256670              3.60260943E-01   
 14      9.5974190             -2.96345716E-01   
 15      5.0095204             -6.16512943E-01   
 16      2.6180297             -3.07934956E-01   
 17      1.3691561             -3.46379304E-02   
 18      0.71628937            -5.91809772E-03   
 19      0.37480036             2.06244290E-03   
 20      0.19613027            -1.08139436E-03   
 21      0.10263651             3.31287969E-04   
P   21
  1 232413.9800000              1.19808329E-06   
  2  79005.0980000              5.46021446E-06   
  3  29466.4680000              3.05292367E-05   
  4  11886.0920000              1.31033454E-04   
  5   5114.2865000              5.32365835E-04   
  6   2317.5570000              1.83841940E-03   
  7   1093.6304000              5.84938518E-03   
  8    532.2542800              1.52337081E-02   
  9    265.0484000              3.17513731E-02   
 10    134.1944700              3.64643050E-02   
 11     68.7410370             -1.45433439E-02   
 12     35.4950900             -1.40987574E-01   
 13     18.4256670             -1.30026656E-01   
 14      9.5974190              1.49391214E-01   
 15      5.0095204              3.27690575E-01   
 16      2.6180297              1.62954029E-01   
 17      1.3691561             -2.60222909E-01   
 18      0.71628937            -4.88349842E-01   
 19      0.37480036            -3.63813619E-01   
 20      0.19613027            -9.17947971E-02   
 21      0.10263651            -1.50718475E-02   
D   18
  1   5114.2865000              1.91555921E-04   
  2   2317.5570000              7.12805370E-04   
  3   1093.6304000              3.73299846E-03   
  4    532.2542800              1.52898633E-02   
  5    265.0484000              5.37894754E-02   
  6    134.1944700              1.50528016E-01   
  7     68.7410370              3.03048090E-01   
  8     35.4950900              3.86988248E-01   
  9     18.4256670              2.40996113E-01   
 10      9.5974190              5.42871523E-02   
 11      5.0095204              5.44577751E-03   
 12      2.6180297             -2.76344405E-04   
 13      1.3691561              6.80206218E-04   
 14      0.71628937            -3.78439549E-04   
 15      0.37480036             2.66781031E-04   
 16      0.19613027            -1.56428403E-04   
 17      0.10263651             7.51498293E-05   
 18      0.53710982E-01        -2.21922561E-05   
D   18
  1   5114.2865000             -9.17387155E-05   
  2   2317.5570000             -3.48528173E-04   
  3   1093.6304000             -1.80202083E-03   
  4    532.2542800             -7.51936345E-03   
  5    265.0484000             -2.65751570E-02   
  6    134.1944700             -7.64328096E-02   
  7     68.7410370             -1.53286338E-01   
  8     35.4950900             -1.79008603E-01   
  9     18.4256670              2.55595833E-02   
 10      9.5974190              3.54265723E-01   
 11      5.0095204              4.39864185E-01   
 12      2.6180297              2.51695251E-01   
 13      1.3691561              6.07137161E-02   
 14      0.71628937             7.98366386E-03   
 15      0.37480036            -2.31791496E-04   
 16      0.19613027             5.81593346E-04   
 17      0.10263651            -2.64298384E-04   
 18      0.53710982E-01         8.93516898E-05   
D   18
  1   5114.2865000             -1.83570353E-05   
  2   2317.5570000             -7.05455691E-05   
  3   1093.6304000             -3.61270158E-04   
  4    532.2542800             -1.51914661E-03   
  5    265.0484000             -5.35367217E-03   
  6    134.1944700             -1.55003043E-02   
  7     68.7410370             -3.09844240E-02   
  8     35.4950900             -3.58025773E-02   
  9     18.4256670              1.14228810E-02   
 10      9.5974190              8.50896016E-02   
 11      5.0095204              1.03900026E-01   
 12      2.6180297              3.22905473E-02   
 13      1.3691561             -1.06069016E-01   
 14      0.71628937            -2.35239193E-01   
 15      0.37480036            -2.99260312E-01   
 16      0.19613027            -3.09504646E-01   
 17      0.10263651            -1.91513642E-01   
 18      0.53710982E-01        -1.20487002E-01   
F   12
  1    532.2542800              3.85355467E-04   
  2    265.0484000              1.47328606E-03   
  3    134.1944700              7.55218204E-03   
  4     68.7410370              2.82106368E-02   
  5     35.4950900              8.18360448E-02   
  6     18.4256670              1.80831735E-01   
  7      9.5974190              2.73077827E-01   
  8      5.0095204              2.99626297E-01   
  9      2.6180297              2.52034175E-01   
 10      1.3691561              1.69440234E-01   
 11      0.71628937             8.06005075E-02   
 12      0.37480036             3.64542976E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Hf
data:
HAFNIUM
S   28
  1 68974306.0000000            3.00711338E-06   
  2 13971077.0000000            1.69531943E-05   
  3 3282919.8000000             9.64440700E-05   
  4 884868.4300000              4.46655028E-04   
  5 270041.8200000              1.78040143E-03   
  6  91980.3420000              6.16066848E-03   
  7  34445.9070000              1.87954334E-02   
  8  13970.4650000              5.06670055E-02   
  9   6048.4376000              1.18963494E-01   
 10   2758.5728000              2.31300898E-01   
 11   1310.0120000              3.33561208E-01   
 12    641.4046300              2.83755548E-01   
 13    321.1848400              9.54853472E-02   
 14    163.4473200              5.66068004E-03   
 15     84.1164820              6.57292133E-04   
 16     43.6203880             -3.93696770E-04   
 17     22.7335220              1.85805597E-04   
 18     11.8855170             -1.46676352E-04   
 19      6.2259588              1.08886498E-04   
 20      3.2649834             -7.26481880E-05   
 21      1.7132613              5.21481306E-05   
 22      0.89929932            -3.70300684E-05   
 23      0.47211784             2.54627326E-05   
 24      0.24787032            -1.71035941E-05   
 25      0.13013947             1.07203164E-05   
 26      0.68327688E-01        -5.91374724E-06   
 27      0.35874441E-01         2.52036566E-06   
 28      0.18835349E-01        -6.02421309E-07   
S   28
  1 68974306.0000000            9.96342534E-07   
  2 13971077.0000000            5.61670780E-06   
  3 3282919.8000000             3.19611433E-05   
  4 884868.4300000              1.48074059E-04   
  5 270041.8200000              5.91266487E-04   
  6  91980.3420000              2.05457530E-03   
  7  34445.9070000              6.33998105E-03   
  8  13970.4650000              1.75341065E-02   
  9   6048.4376000              4.35664509E-02   
 10   2758.5728000              9.49778333E-02   
 11   1310.0120000              1.70841080E-01   
 12    641.4046300              2.05679902E-01   
 13    321.1848400              2.71627393E-02   
 14    163.4473200             -4.25657346E-01   
 15     84.1164820             -5.58934282E-01   
 16     43.6203880             -1.79028068E-01   
 17     22.7335220             -8.18826082E-03   
 18     11.8855170             -2.13119417E-04   
 19      6.2259588              1.84287049E-05   
 20      3.2649834              2.92776426E-04   
 21      1.7132613             -2.30029565E-04   
 22      0.89929932             1.72331721E-04   
 23      0.47211784            -1.32140291E-04   
 24      0.24787032             8.95406927E-05   
 25      0.13013947            -5.72702908E-05   
 26      0.68327688E-01         3.18954633E-05   
 27      0.35874441E-01        -1.36851724E-05   
 28      0.18835349E-01         3.28644735E-06   
S   28
  1 68974306.0000000            4.67102392E-07   
  2 13971077.0000000            2.63427025E-06   
  3 3282919.8000000             1.49829284E-05   
  4 884868.4300000              6.94586099E-05   
  5 270041.8200000              2.77239388E-04   
  6  91980.3420000              9.64761252E-04   
  7  34445.9070000              2.97921728E-03   
  8  13970.4650000              8.28197186E-03   
  9   6048.4376000              2.07238721E-02   
 10   2758.5728000              4.60916442E-02   
 11   1310.0120000              8.57092111E-02   
 12    641.4046300              1.10823926E-01   
 13    321.1848400              1.42843763E-02   
 14    163.4473200             -3.35742149E-01   
 15     84.1164820             -6.45352427E-01   
 16     43.6203880             -4.13856069E-02   
 17     22.7335220              8.71072913E-01   
 18     11.8855170              4.40457046E-01   
 19      6.2259588              3.56393833E-02   
 20      3.2649834              4.66834576E-03   
 21      1.7132613             -1.23933460E-03   
 22      0.89929932             6.60758718E-04   
 23      0.47211784            -4.88451077E-04   
 24      0.24787032             2.77142938E-04   
 25      0.13013947            -1.70420297E-04   
 26      0.68327688E-01         9.19407817E-05   
 27      0.35874441E-01        -3.88687531E-05   
 28      0.18835349E-01         9.26448671E-06   
S   28
  1 68974306.0000000           -2.26298456E-07   
  2 13971077.0000000           -1.27588841E-06   
  3 3282919.8000000            -7.25933299E-06   
  4 884868.4300000             -3.36411569E-05   
  5 270041.8200000             -1.34342849E-04   
  6  91980.3420000             -4.67324229E-04   
  7  34445.9070000             -1.44463009E-03   
  8  13970.4650000             -4.01635597E-03   
  9   6048.4376000             -1.00811681E-02   
 10   2758.5728000             -2.24849306E-02   
 11   1310.0120000             -4.22571551E-02   
 12    641.4046300             -5.53211252E-02   
 13    321.1848400             -7.71576147E-03   
 14    163.4473200              1.85496339E-01   
 15     84.1164820              3.87632209E-01   
 16     43.6203880              2.86898859E-02   
 17     22.7335220             -9.48641574E-01   
 18     11.8855170             -5.61221806E-01   
 19      6.2259588              7.37528960E-01   
 20      3.2649834              7.38425031E-01   
 21      1.7132613              1.21859315E-01   
 22      0.89929932             8.35397649E-03   
 23      0.47211784            -1.89259881E-03   
 24      0.24787032             2.18377269E-03   
 25      0.13013947            -1.35081108E-03   
 26      0.68327688E-01         7.75081303E-04   
 27      0.35874441E-01        -3.36662222E-04   
 28      0.18835349E-01         8.14939500E-05   
S   28
  1 68974306.0000000           -8.67966812E-08   
  2 13971077.0000000           -4.89365556E-07   
  3 3282919.8000000            -2.78431952E-06   
  4 884868.4300000             -1.29030889E-05   
  5 270041.8200000             -5.15281075E-05   
  6  91980.3420000             -1.79250758E-04   
  7  34445.9070000             -5.54165299E-04   
  8  13970.4650000             -1.54099100E-03   
  9   6048.4376000             -3.86968173E-03   
 10   2758.5728000             -8.63882248E-03   
 11   1310.0120000             -1.62662112E-02   
 12    641.4046300             -2.13700555E-02   
 13    321.1848400             -3.00197445E-03   
 14    163.4473200              7.31486342E-02   
 15     84.1164820              1.56192355E-01   
 16     43.6203880              1.20846879E-02   
 17     22.7335220             -4.36626507E-01   
 18     11.8855170             -2.64364494E-01   
 19      6.2259588              4.48834479E-01   
 20      3.2649834              7.35337866E-01   
 21      1.7132613              7.82154400E-02   
 22      0.89929932            -6.73899515E-01   
 23      0.47211784            -5.84431887E-01   
 24      0.24787032            -1.22439688E-01   
 25      0.13013947            -4.72339795E-03   
 26      0.68327688E-01        -1.45165068E-04   
 27      0.35874441E-01        -9.22337238E-05   
 28      0.18835349E-01         3.08514875E-05   
S   28
  1 68974306.0000000           -2.24515981E-08   
  2 13971077.0000000           -1.26583387E-07   
  3 3282919.8000000            -7.20217205E-07   
  4 884868.4300000             -3.33762220E-06   
  5 270041.8200000             -1.33287604E-05   
  6  91980.3420000             -4.63667812E-05   
  7  34445.9070000             -1.43348249E-04   
  8  13970.4650000             -3.98623158E-04   
  9   6048.4376000             -1.00107582E-03   
 10   2758.5728000             -2.23509799E-03   
 11   1310.0120000             -4.20963441E-03   
 12    641.4046300             -5.53301958E-03   
 13    321.1848400             -7.78084135E-04   
 14    163.4473200              1.89922890E-02   
 15     84.1164820              4.06727874E-02   
 16     43.6203880              3.15606203E-03   
 17     22.7335220             -1.15722670E-01   
 18     11.8855170             -7.04166115E-02   
 19      6.2259588              1.23213613E-01   
 20      3.2649834              2.20634139E-01   
 21      1.7132613              1.92230294E-02   
 22      0.89929932            -2.40656412E-01   
 23      0.47211784            -3.34720256E-01   
 24      0.24787032            -1.77206941E-01   
 25      0.13013947             1.72436115E-01   
 26      0.68327688E-01         4.98452252E-01   
 27      0.35874441E-01         4.64545464E-01   
 28      0.18835349E-01         1.21826616E-01   
P   21
  1 270041.8200000              1.19684700E-05   
  2  91980.3420000              5.60404184E-05   
  3  34445.9070000              3.00254086E-04   
  4  13970.4650000              1.30659210E-03   
  5   6048.4376000              5.11548667E-03   
  6   2758.5728000              1.76870525E-02   
  7   1310.0120000              5.40156886E-02   
  8    641.4046300              1.39233121E-01   
  9    321.1848400              2.79147794E-01   
 10    163.4473200              3.71691556E-01   
 11     84.1164820              2.48354338E-01   
 12     43.6203880              5.58940166E-02   
 13     22.7335220              2.49495696E-03   
 14     11.8855170             -2.04196034E-04   
 15      6.2259588              1.00328746E-04   
 16      3.2649834             -1.73643698E-04   
 17      1.7132613              1.12457391E-04   
 18      0.89929932            -7.45524626E-05   
 19      0.47211784             4.42825493E-05   
 20      0.24787032            -2.02306992E-05   
 21      0.13013947             5.43967409E-06   
P   21
  1 270041.8200000             -5.95965610E-06   
  2  91980.3420000             -2.76385851E-05   
  3  34445.9070000             -1.49717102E-04   
  4  13970.4650000             -6.48090676E-04   
  5   6048.4376000             -2.56916444E-03   
  6   2758.5728000             -8.93863789E-03   
  7   1310.0120000             -2.80968382E-02   
  8    641.4046300             -7.52003767E-02   
  9    321.1848400             -1.61539322E-01   
 10    163.4473200             -2.25485231E-01   
 11     84.1164820             -6.83651237E-02   
 12     43.6203880              3.84031599E-01   
 13     22.7335220              5.49567112E-01   
 14     11.8855170              1.90699759E-01   
 15      6.2259588              1.87458779E-02   
 16      3.2649834             -2.74299318E-04   
 17      1.7132613              1.18202594E-03   
 18      0.89929932            -7.83686753E-04   
 19      0.47211784             4.63116410E-04   
 20      0.24787032            -2.20991460E-04   
 21      0.13013947             6.01486599E-05   
P   21
  1 270041.8200000              2.85748283E-06   
  2  91980.3420000              1.31318750E-05   
  3  34445.9070000              7.17969882E-05   
  4  13970.4650000              3.08736135E-04   
  5   6048.4376000              1.23299220E-03   
  6   2758.5728000              4.27918931E-03   
  7   1310.0120000              1.35870790E-02   
  8    641.4046300              3.65637302E-02   
  9    321.1848400              8.01805362E-02   
 10    163.4473200              1.12790276E-01   
 11     84.1164820              2.13073936E-02   
 12     43.6203880             -2.86988943E-01   
 13     22.7335220             -4.43215835E-01   
 14     11.8855170              1.02297125E-01   
 15      6.2259588              6.06495555E-01   
 16      3.2649834              4.21623186E-01   
 17      1.7132613              7.55004376E-02   
 18      0.89929932             7.14313517E-03   
 19      0.47211784            -1.27152531E-03   
 20      0.24787032             8.51540483E-04   
 21      0.13013947            -2.70365152E-04   
P   21
  1 270041.8200000              9.97902038E-07   
  2  91980.3420000              4.55390672E-06   
  3  34445.9070000              2.50713256E-05   
  4  13970.4650000              1.07228457E-04   
  5   6048.4376000              4.30344489E-04   
  6   2758.5728000              1.48844684E-03   
  7   1310.0120000              4.74781159E-03   
  8    641.4046300              1.27597064E-02   
  9    321.1848400              2.81705186E-02   
 10    163.4473200              3.95373693E-02   
 11     84.1164820              6.75799792E-03   
 12     43.6203880             -1.09570500E-01   
 13     22.7335220             -1.69799017E-01   
 14     11.8855170              6.72207560E-02   
 15      6.2259588              3.17743723E-01   
 16      3.2649834              2.57931880E-01   
 17      1.7132613             -1.60117889E-01   
 18      0.89929932            -4.78561054E-01   
 19      0.47211784            -4.22702002E-01   
 20      0.24787032            -1.35170636E-01   
 21      0.13013947            -2.37008188E-02   
D   18
  1   6048.4376000              1.40666926E-04   
  2   2758.5728000              5.20486671E-04   
  3   1310.0120000              2.69276610E-03   
  4    641.4046300              1.12120534E-02   
  5    321.1848400              4.03306863E-02   
  6    163.4473200              1.19164310E-01   
  7     84.1164820              2.61022372E-01   
  8     43.6203880              3.81658879E-01   
  9     22.7335220              2.96493413E-01   
 10     11.8855170              9.03739940E-02   
 11      6.2259588              1.04802188E-02   
 12      3.2649834              8.89433104E-05   
 13      1.7132613              6.67877361E-04   
 14      0.89929932            -3.35200208E-04   
 15      0.47211784             2.44195522E-04   
 16      0.24787032            -1.43923211E-04   
 17      0.13013947             6.87967883E-05   
 18      0.68327688E-01        -2.04157265E-05   
D   18
  1   6048.4376000             -6.75810549E-05   
  2   2758.5728000             -2.57545978E-04   
  3   1310.0120000             -1.30365002E-03   
  4    641.4046300             -5.55680067E-03   
  5    321.1848400             -1.99705695E-02   
  6    163.4473200             -6.07309432E-02   
  7     84.1164820             -1.33419969E-01   
  8     43.6203880             -1.87469314E-01   
  9     22.7335220             -5.46151898E-02   
 10     11.8855170              2.77928969E-01   
 11      6.2259588              4.50691453E-01   
 12      3.2649834              3.15957508E-01   
 13      1.7132613              9.50400712E-02   
 14      0.89929932             1.33420451E-02   
 15      0.47211784             1.83987092E-04   
 16      0.24787032             5.94743561E-04   
 17      0.13013947            -2.47159288E-04   
 18      0.68327688E-01         8.69968840E-05   
D   18
  1   6048.4376000             -1.51690513E-05   
  2   2758.5728000             -5.87174593E-05   
  3   1310.0120000             -2.93221680E-04   
  4    641.4046300             -1.26269046E-03   
  5    321.1848400             -4.51645397E-03   
  6    163.4473200             -1.38420120E-02   
  7     84.1164820             -3.03201821E-02   
  8     43.6203880             -4.25522698E-02   
  9     22.7335220             -7.68107556E-03   
 10     11.8855170              7.71932229E-02   
 11      6.2259588              1.20909118E-01   
 12      3.2649834              6.82536260E-02   
 13      1.7132613             -8.13514447E-02   
 14      0.89929932            -2.39340595E-01   
 15      0.47211784            -3.20564636E-01   
 16      0.24787032            -3.17653474E-01   
 17      0.13013947            -1.86632406E-01   
 18      0.68327688E-01        -9.97220932E-02   
F   12
  1    641.4046300              2.65088304E-04   
  2    321.1848400              1.05190905E-03   
  3    163.4473200              5.36340380E-03   
  4     84.1164820              2.13875603E-02   
  5     43.6203880              6.53183237E-02   
  6     22.7335220              1.55979873E-01   
  7     11.8855170              2.58950350E-01   
  8      6.2259588              3.04676184E-01   
  9      3.2649834              2.70144783E-01   
 10      1.7132613              1.85794568E-01   
 11      0.89929932             8.75044623E-02   
 12      0.47211784             3.81889163E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Ta
data:
TANTALUM
S   28
  1 76966188.0000000            2.72148667E-06   
  2 15476141.0000000            1.55120808E-05   
  3 3620868.6000000             8.85087409E-05   
  4 974244.5100000              4.10232937E-04   
  5 297412.1000000              1.63232735E-03   
  6 101491.2100000              5.63148654E-03   
  7  38116.2880000              1.71318468E-02   
  8  15511.1470000              4.61592623E-02   
  9   6738.7622000              1.08952747E-01   
 10   3083.4588000              2.15516712E-01   
 11   1468.5036000              3.23636295E-01   
 12    720.7183000              2.99551567E-01   
 13    361.5774800              1.18241120E-01   
 14    184.2596800              9.52518946E-03   
 15     94.9205960              9.49876801E-04   
 16     49.2548920             -6.10424360E-04   
 17     25.6799310              3.68381564E-04   
 18     13.4285560             -2.96865786E-04   
 19      7.0346660              2.20618084E-04   
 20      3.6889759             -1.54000204E-04   
 21      1.9355845              1.11203178E-04   
 22      1.0158805             -7.90056518E-05   
 23      0.53325039             5.46370381E-05   
 24      0.27992660            -3.67060787E-05   
 25      0.14694881             2.30515481E-05   
 26      0.77141956E-01        -1.27450587E-05   
 27      0.40496343E-01         5.44643669E-06   
 28      0.21258913E-01        -1.30520992E-06   
S   28
  1 76966188.0000000            9.02437012E-07   
  2 15476141.0000000            5.14297210E-06   
  3 3620868.6000000             2.93554239E-05   
  4 974244.5100000              1.36090127E-04   
  5 297412.1000000              5.42472132E-04   
  6 101491.2100000              1.87852304E-03   
  7  38116.2880000              5.77677233E-03   
  8  15511.1470000              1.59331287E-02   
  9   6738.7622000              3.96395864E-02   
 10   3083.4588000              8.70833857E-02   
 11   1468.5036000              1.60551671E-01   
 12    720.7183000              2.07282621E-01   
 13    361.5774800              6.98114214E-02   
 14    184.2596800             -3.62573003E-01   
 15     94.9205960             -5.82467527E-01   
 16     49.2548920             -2.31905102E-01   
 17     25.6799310             -1.35404474E-02   
 18     13.4285560             -1.45387909E-03   
 19      7.0346660              9.28903852E-04   
 20      3.6889759             -3.68908646E-04   
 21      1.9355845              2.66451361E-04   
 22      1.0158805             -1.83938321E-04   
 23      0.53325039             1.16461533E-04   
 24      0.27992660            -7.83422846E-05   
 25      0.14694881             4.84448516E-05   
 26      0.77141956E-01        -2.66373829E-05   
 27      0.40496343E-01         1.13438260E-05   
 28      0.21258913E-01        -2.71318148E-06   
S   28
  1 76966188.0000000            4.23832768E-07   
  2 15476141.0000000            2.41594612E-06   
  3 3620868.6000000             1.37865270E-05   
  4 974244.5100000              6.39372953E-05   
  5 297412.1000000              2.54829750E-04   
  6 101491.2100000              8.83372632E-04   
  7  38116.2880000              2.71935213E-03   
  8  15511.1470000              7.53279916E-03   
  9   6738.7622000              1.88743584E-02   
 10   3083.4588000              4.22021552E-02   
 11   1468.5036000              8.03144329E-02   
 12    720.7183000              1.10554063E-01   
 13    361.5774800              4.02609834E-02   
 14    184.2596800             -2.76013259E-01   
 15     94.9205960             -6.38147126E-01   
 16     49.2548920             -1.91044437E-01   
 17     25.6799310              8.17937596E-01   
 18     13.4285560              5.44081689E-01   
 19      7.0346660              5.02305093E-02   
 20      3.6889759              1.07152136E-02   
 21      1.9355845             -5.31770308E-03   
 22      1.0158805              3.75447651E-03   
 23      0.53325039            -2.72821910E-03   
 24      0.27992660             1.80674476E-03   
 25      0.14694881            -1.14561628E-03   
 26      0.77141956E-01         6.35591122E-04   
 27      0.40496343E-01        -2.72393492E-04   
 28      0.21258913E-01         6.54029328E-05   
S   28
  1 76966188.0000000           -2.06060497E-07   
  2 15476141.0000000           -1.17392227E-06   
  3 3620868.6000000            -6.70373002E-06   
  4 974244.5100000             -3.10654200E-05   
  5 297412.1000000             -1.23937281E-04   
  6 101491.2100000             -4.29208372E-04   
  7  38116.2880000             -1.32361446E-03   
  8  15511.1470000             -3.66313709E-03   
  9   6738.7622000             -9.21677587E-03   
 10   3083.4588000             -2.06268894E-02   
 11   1468.5036000             -3.97345985E-02   
 12    720.7183000             -5.51153317E-02   
 13    361.5774800             -2.14107702E-02   
 14    184.2596800              1.52462843E-01   
 15     94.9205960              3.77419980E-01   
 16     49.2548920              1.38100693E-01   
 17     25.6799310             -8.52451415E-01   
 18     13.4285560             -7.32402182E-01   
 19      7.0346660              6.19273108E-01   
 20      3.6889759              8.19349035E-01   
 21      1.9355845              1.74709342E-01   
 22      1.0158805              5.76045258E-03   
 23      0.53325039             1.56482834E-03   
 24      0.27992660             3.58241433E-05   
 25      0.14694881             3.40484970E-05   
 26      0.77141956E-01         5.20508869E-06   
 27      0.40496343E-01        -5.05249576E-06   
 28      0.21258913E-01         1.59096781E-06   
S   28
  1 76966188.0000000           -8.04719394E-08   
  2 15476141.0000000           -4.58323417E-07   
  3 3620868.6000000            -2.61814997E-06   
  4 974244.5100000             -1.21281299E-05   
  5 297412.1000000             -4.84077460E-05   
  6 101491.2100000             -1.67557441E-04   
  7  38116.2880000             -5.17106921E-04   
  8  15511.1470000             -1.43018001E-03   
  9   6738.7622000             -3.60382911E-03   
 10   3083.4588000             -8.06088227E-03   
 11   1468.5036000             -1.55859791E-02   
 12    720.7183000             -2.16187844E-02   
 13    361.5774800             -8.58738161E-03   
 14    184.2596800              6.13752175E-02   
 15     94.9205960              1.53720556E-01   
 16     49.2548920              6.03057229E-02   
 17     25.6799310             -3.98391921E-01   
 18     13.4285560             -3.52099079E-01   
 19      7.0346660              3.70409216E-01   
 20      3.6889759              7.82605019E-01   
 21      1.9355845              1.87724427E-01   
 22      1.0158805             -6.63413700E-01   
 23      0.53325039            -6.20063846E-01   
 24      0.27992660            -1.50823661E-01   
 25      0.14694881            -3.08693398E-03   
 26      0.77141956E-01        -2.30004462E-03   
 27      0.40496343E-01         8.49178616E-04   
 28      0.21258913E-01        -2.02507243E-04   
S   28
  1 76966188.0000000           -2.10114251E-08   
  2 15476141.0000000           -1.19661886E-07   
  3 3620868.6000000            -6.83615797E-07   
  4 974244.5100000             -3.16645775E-06   
  5 297412.1000000             -1.26397922E-05   
  6 101491.2100000             -4.37458547E-05   
  7  38116.2880000             -1.35028519E-04   
  8  15511.1470000             -3.73390095E-04   
  9   6738.7622000             -9.41174822E-04   
 10   3083.4588000             -2.10474426E-03   
 11   1468.5036000             -4.07245242E-03   
 12    720.7183000             -5.64705779E-03   
 13    361.5774800             -2.25315839E-03   
 14    184.2596800              1.60995503E-02   
 15     94.9205960              4.03621355E-02   
 16     49.2548920              1.60157928E-02   
 17     25.6799310             -1.06720411E-01   
 18     13.4285560             -9.45814064E-02   
 19      7.0346660              1.01822070E-01   
 20      3.6889759              2.36635100E-01   
 21      1.9355845              5.44790593E-02   
 22      1.0158805             -2.40908060E-01   
 23      0.53325039            -3.39656342E-01   
 24      0.27992660            -1.89760455E-01   
 25      0.14694881             1.46341276E-01   
 26      0.77141956E-01         4.75259373E-01   
 27      0.40496343E-01         4.76739194E-01   
 28      0.21258913E-01         1.54917771E-01   
P   21
  1 297412.1000000              1.06143775E-05   
  2 101491.2100000              4.94931728E-05   
  3  38116.2880000              2.63494133E-04   
  4  15511.1470000              1.14176545E-03   
  5   6738.7622000              4.45056237E-03   
  6   3083.4588000              1.54086807E-02   
  7   1468.5036000              4.73311907E-02   
  8    720.7183000              1.24351744E-01   
  9    361.5774800              2.58301746E-01   
 10    184.2596800              3.68389608E-01   
 11     94.9205960              2.76323374E-01   
 12     49.2548920              7.49715456E-02   
 13     25.6799310              3.99054381E-03   
 14     13.4285560              5.65321412E-05   
 15      7.0346660             -6.86218424E-05   
 16      3.6889759             -6.79226275E-05   
 17      1.9355845              3.74443737E-05   
 18      1.0158805             -2.66095558E-05   
 19      0.53325039             1.71453724E-05   
 20      0.27992660            -7.71819886E-06   
 21      0.14694881             2.12956652E-06   
P   21
  1 297412.1000000             -5.29494813E-06   
  2 101491.2100000             -2.44705998E-05   
  3  38116.2880000             -1.31618384E-04   
  4  15511.1470000             -5.67504663E-04   
  5   6738.7622000             -2.23794806E-03   
  6   3083.4588000             -7.79234163E-03   
  7   1468.5036000             -2.45810319E-02   
  8    720.7183000             -6.69069376E-02   
  9    361.5774800             -1.48373059E-01   
 10    184.2596800             -2.24213360E-01   
 11     94.9205960             -1.10824937E-01   
 12     49.2548920              3.19752248E-01   
 13     25.6799310              5.69362181E-01   
 14     13.4285560              2.40887782E-01   
 15      7.0346660              2.54423157E-02   
 16      3.6889759              1.47999645E-03   
 17      1.9355845              1.92719477E-04   
 18      1.0158805             -1.08792326E-04   
 19      0.53325039             5.91187467E-05   
 20      0.27992660            -3.60283337E-05   
 21      0.14694881             9.87278669E-06   
P   21
  1 297412.1000000              2.54333210E-06   
  2 101491.2100000              1.17117989E-05   
  3  38116.2880000              6.32380598E-05   
  4  15511.1470000              2.72019333E-04   
  5   6738.7622000              1.07668115E-03   
  6   3083.4588000              3.75041741E-03   
  7   1468.5036000              1.19129120E-02   
  8    720.7183000              3.26687549E-02   
  9    361.5774800              7.36759969E-02   
 10    184.2596800              1.13008280E-01   
 11     94.9205960              4.64376839E-02   
 12     49.2548920             -2.38812647E-01   
 13     25.6799310             -4.63758886E-01   
 14     13.4285560              3.61373465E-03   
 15      7.0346660              5.83482227E-01   
 16      3.6889759              4.74468859E-01   
 17      1.9355845              1.01441291E-01   
 18      1.0158805              7.70218673E-03   
 19      0.53325039            -4.79627991E-04   
 20      0.27992660             5.59048239E-04   
 21      0.14694881            -1.84830399E-04   
P   21
  1 297412.1000000              9.08310261E-07   
  2 101491.2100000              4.16699316E-06   
  3  38116.2880000              2.25845961E-05   
  4  15511.1470000              9.68679012E-05   
  5   6738.7622000              3.84478998E-04   
  6   3083.4588000              1.33705994E-03   
  7   1468.5036000              4.25948932E-03   
  8    720.7183000              1.16820454E-02   
  9    361.5774800              2.64760259E-02   
 10    184.2596800              4.06513068E-02   
 11     94.9205960              1.61289251E-02   
 12     49.2548920             -9.31075226E-02   
 13     25.6799310             -1.83425711E-01   
 14     13.4285560              2.49154609E-02   
 15      7.0346660              3.09678006E-01   
 16      3.6889759              3.01204355E-01   
 17      1.9355845             -1.17385687E-01   
 18      1.0158805             -4.80415461E-01   
 19      0.53325039            -4.40834620E-01   
 20      0.27992660            -1.49139433E-01   
 21      0.14694881            -2.63389794E-02   
D   18
  1   6738.7622000              1.18241803E-04   
  2   3083.4588000              4.35343850E-04   
  3   1468.5036000              2.24657056E-03   
  4    720.7183000              9.43097091E-03   
  5    361.5774800              3.44386460E-02   
  6    184.2596800              1.04660445E-01   
  7     94.9205960              2.39688164E-01   
  8     49.2548920              3.73821193E-01   
  9     25.6799310              3.21429374E-01   
 10     13.4285560              1.12648877E-01   
 11      7.0346660              1.42907695E-02   
 12      3.6889759              5.07851377E-04   
 13      1.9355845              5.31126552E-04   
 14      1.0158805             -2.23537514E-04   
 15      0.53325039             1.69437232E-04   
 16      0.27992660            -1.00750468E-04   
 17      0.14694881             4.76161921E-05   
 18      0.77141956E-01        -1.43314118E-05   
D   18
  1   6738.7622000             -5.72445773E-05   
  2   3083.4588000             -2.16928290E-04   
  3   1468.5036000             -1.09544486E-03   
  4    720.7183000             -4.70427089E-03   
  5    361.5774800             -1.71577147E-02   
  6    184.2596800             -5.35854533E-02   
  7     94.9205960             -1.23616803E-01   
  8     49.2548920             -1.87819336E-01   
  9     25.6799310             -8.87001965E-02   
 10     13.4285560              2.37307873E-01   
 11      7.0346660              4.50493051E-01   
 12      3.6889759              3.44989395E-01   
 13      1.9355845              1.12557589E-01   
 14      1.0158805              1.58337872E-02   
 15      0.53325039             5.17461098E-04   
 16      0.27992660             4.85986227E-04   
 17      0.14694881            -1.83728860E-04   
 18      0.77141956E-01         6.70885738E-05   
D   18
  1   6738.7622000              1.38897003E-05   
  2   3083.4588000              5.34423695E-05   
  3   1468.5036000              2.66321645E-04   
  4    720.7183000              1.15513555E-03   
  5    361.5774800              4.19383353E-03   
  6    184.2596800              1.31960093E-02   
  7     94.9205960              3.03827024E-02   
  8     49.2548920              4.61762087E-02   
  9     25.6799310              1.76965536E-02   
 10     13.4285560             -7.29807839E-02   
 11      7.0346660             -1.31544831E-01   
 12      3.6889759             -8.74853152E-02   
 13      1.9355845              7.37891759E-02   
 14      1.0158805              2.51714823E-01   
 15      0.53325039             3.37698810E-01   
 16      0.27992660             3.15284196E-01   
 17      0.14694881             1.75915705E-01   
 18      0.77141956E-01         8.08692793E-02   
F   12
  1    720.7183000              2.18606550E-04   
  2    361.5774800              8.88155270E-04   
  3    184.2596800              4.53276952E-03   
  4     94.9205960              1.86886373E-02   
  5     49.2548920              5.89576965E-02   
  6     25.6799310              1.46089054E-01   
  7     13.4285560              2.54169609E-01   
  8      7.0346660              3.09081043E-01   
  9      3.6889759              2.79392592E-01   
 10      1.9355845              1.89660666E-01   
 11      1.0158805              8.61814001E-02   
 12      0.53325039             3.35742955E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: W
data:
TUNGSTEN
S   28
  1 81884798.0000000            2.60003146E-06   
  2 16569649.0000000            1.46822056E-05   
  3 3890365.2000000             8.35916759E-05   
  4 1048059.9000000             3.87354472E-04   
  5 319811.1900000              1.54414854E-03   
  6 108975.6400000              5.34334620E-03   
  7  40849.4500000              1.63136372E-02   
  8  16593.0780000              4.41368368E-02   
  9   7199.0655000              1.04726126E-01   
 10   3292.0533000              2.08921000E-01   
 11   1568.2454000              3.18844393E-01   
 12    770.5543300              3.05233456E-01   
 13    387.3491800              1.28839351E-01   
 14    197.9316700              1.20261211E-02   
 15    102.3045000              1.02433443E-03   
 16     53.2896300             -6.52054241E-04   
 17     27.9000120              4.14483354E-04   
 18     14.6544970             -3.41027359E-04   
 19      7.7124859              2.54559424E-04   
 20      4.0636568             -1.79361790E-04   
 21      2.1424714              1.30254537E-04   
 22      1.1299396             -9.28234504E-05   
 23      0.59602305             6.43702429E-05   
 24      0.31441253            -4.33025548E-05   
 25      0.16586220             2.71899658E-05   
 26      0.87498039E-01        -1.50040389E-05   
 27      0.46158319E-01         6.38743214E-06   
 28      0.24350157E-01        -1.52253150E-06   
S   28
  1 81884798.0000000            8.62816863E-07   
  2 16569649.0000000            4.87145498E-06   
  3 3890365.2000000             2.77455033E-05   
  4 1048059.9000000             1.28592543E-04   
  5 319811.1900000              5.13511420E-04   
  6 108975.6400000              1.78325998E-03   
  7  40849.4500000              5.50140568E-03   
  8  16593.0780000              1.52224583E-02   
  9   7199.0655000              3.80018376E-02   
 10   3292.0533000              8.38821863E-02   
 11   1568.2454000              1.56122803E-01   
 12    770.5543300              2.06996773E-01   
 13    387.3491800              8.67391939E-02   
 14    197.9316700             -3.30098505E-01   
 15    102.3045000             -5.86566863E-01   
 16     53.2896300             -2.60991003E-01   
 17     27.9000120             -1.84615059E-02   
 18     14.6544970             -1.94526022E-03   
 19      7.7124859              1.29410458E-03   
 20      4.0636568             -6.48088129E-04   
 21      2.1424714              4.87244280E-04   
 22      1.1299396             -3.45190463E-04   
 23      0.59602305             2.29973108E-04   
 24      0.31441253            -1.55792045E-04   
 25      0.16586220             9.74137351E-05   
 26      0.87498039E-01        -5.37784113E-05   
 27      0.46158319E-01         2.29107537E-05   
 28      0.24350157E-01        -5.46554454E-06   
S   28
  1 81884798.0000000            4.05919002E-07   
  2 16569649.0000000            2.29200409E-06   
  3 3890365.2000000             1.30531673E-05   
  4 1048059.9000000             6.05084391E-05   
  5 319811.1900000              2.41651105E-04   
  6 108975.6400000              8.39806351E-04   
  7  40849.4500000              2.59425609E-03   
  8  16593.0780000              7.20537994E-03   
  9   7199.0655000              1.81211969E-02   
 10   3292.0533000              4.06585612E-02   
 11   1568.2454000              7.81042585E-02   
 12    770.5543300              1.10008349E-01   
 13    387.3491800              5.04354297E-02   
 14    197.9316700             -2.48032189E-01   
 15    102.3045000             -6.25894808E-01   
 16     53.2896300             -2.64320425E-01   
 17     27.9000120              7.69011023E-01   
 18     14.6544970              6.03168747E-01   
 19      7.7124859              6.62186259E-02   
 20      4.0636568              1.34574937E-02   
 21      2.1424714             -6.95673226E-03   
 22      1.1299396              5.07863529E-03   
 23      0.59602305            -3.71949334E-03   
 24      0.31441253             2.48940103E-03   
 25      0.16586220            -1.58379307E-03   
 26      0.87498039E-01         8.79176014E-04   
 27      0.46158319E-01        -3.75987977E-04   
 28      0.24350157E-01         8.98976407E-05   
S   28
  1 81884798.0000000           -1.98050694E-07   
  2 16569649.0000000           -1.11755400E-06   
  3 3890365.2000000            -6.36974926E-06   
  4 1048059.9000000            -2.95009184E-05   
  5 319811.1900000             -1.17948046E-04   
  6 108975.6400000             -4.09437330E-04   
  7  40849.4500000             -1.26725776E-03   
  8  16593.0780000             -3.51561239E-03   
  9   7199.0655000             -8.88056821E-03   
 10   3292.0533000             -1.99334375E-02   
 11   1568.2454000             -3.87704948E-02   
 12    770.5543300             -5.49601660E-02   
 13    387.3491800             -2.67610715E-02   
 14    197.9316700              1.37263635E-01   
 15    102.3045000              3.68689166E-01   
 16     53.2896300              1.88911512E-01   
 17     27.9000120             -7.83710838E-01   
 18     14.6544970             -8.20423568E-01   
 19      7.7124859              5.20789989E-01   
 20      4.0636568              8.66007920E-01   
 21      2.1424714              2.19375051E-01   
 22      1.1299396              5.28230932E-03   
 23      0.59602305             3.91601485E-03   
 24      0.31441253            -1.36841803E-03   
 25      0.16586220             9.52983749E-04   
 26      0.87498039E-01        -5.03197223E-04   
 27      0.46158319E-01         2.13411085E-04   
 28      0.24350157E-01        -5.08378603E-05   
S   28
  1 81884798.0000000           -7.86263330E-08   
  2 16569649.0000000           -4.43490965E-07   
  3 3890365.2000000            -2.52904084E-06   
  4 1048059.9000000            -1.17065117E-05   
  5 319811.1900000             -4.68351262E-05   
  6 108975.6400000             -1.62457406E-04   
  7  40849.4500000             -5.03357435E-04   
  8  16593.0780000             -1.39494391E-03   
  9   7199.0655000             -3.53070928E-03   
 10   3292.0533000             -7.91531885E-03   
 11   1568.2454000             -1.54664918E-02   
 12    770.5543300             -2.18902142E-02   
 13    387.3491800             -1.09302737E-02   
 14    197.9316700              5.62902418E-02   
 15    102.3045000              1.52178719E-01   
 16     53.2896300              8.37451886E-02   
 17     27.9000120             -3.72236504E-01   
 18     14.6544970             -4.00898639E-01   
 19      7.7124859              3.09844490E-01   
 20      4.0636568              8.10661248E-01   
 21      2.1424714              2.70552507E-01   
 22      1.1299396             -6.45373519E-01   
 23      0.59602305            -6.46736749E-01   
 24      0.31441253            -1.78572403E-01   
 25      0.16586220            -3.18369835E-03   
 26      0.87498039E-01        -3.83666866E-03   
 27      0.46158319E-01         1.50609067E-03   
 28      0.24350157E-01        -3.64552299E-04   
S   28
  1 81884798.0000000            2.05860177E-08   
  2 16569649.0000000            1.16102347E-07   
  3 3890365.2000000             6.62173146E-07   
  4 1048059.9000000             3.06462121E-06   
  5 319811.1900000              1.22630806E-05   
  6 108975.6400000              4.25280504E-05   
  7  40849.4500000              1.31805620E-04   
  8  16593.0780000              3.65156349E-04   
  9   7199.0655000              9.24694873E-04   
 10   3292.0533000              2.07210256E-03   
 11   1568.2454000              4.05309528E-03   
 12    770.5543300              5.73164541E-03   
 13    387.3491800              2.87899427E-03   
 14    197.9316700             -1.48200677E-02   
 15    102.3045000             -4.00420114E-02   
 16     53.2896300             -2.23350240E-02   
 17     27.9000120              1.00150423E-01   
 18     14.6544970              1.07934829E-01   
 19      7.7124859             -8.47476906E-02   
 20      4.0636568             -2.46017666E-01   
 21      2.1424714             -8.08008893E-02   
 22      1.1299396              2.36364392E-01   
 23      0.59602305             3.40972026E-01   
 24      0.31441253             1.98027388E-01   
 25      0.16586220            -1.09723808E-01   
 26      0.87498039E-01        -4.49310109E-01   
 27      0.46158319E-01        -4.77389821E-01   
 28      0.24350157E-01        -2.08052457E-01   
P   21
  1 319811.1900000              9.81816060E-06   
  2 108975.6400000              4.60184893E-05   
  3  40849.4500000              2.45655925E-04   
  4  16593.0780000              1.06906981E-03   
  5   7199.0655000              4.17755416E-03   
  6   3292.0533000              1.45067212E-02   
  7   1568.2454000              4.46785205E-02   
  8    770.5543300              1.18118275E-01   
  9    387.3491800              2.48386277E-01   
 10    197.9316700              3.64049731E-01   
 11    102.3045000              2.88077134E-01   
 12     53.2896300              8.60751073E-02   
 13     27.9000120              5.29262697E-03   
 14     14.6544970              2.01462989E-04   
 15      7.7124859             -1.63180571E-04   
 16      4.0636568             -6.70939140E-06   
 17      2.1424714             -7.58843804E-06   
 18      1.1299396              2.56569047E-06   
 19      0.59602305             7.37077224E-07   
 20      0.31441253            -5.87006065E-08   
 21      0.16586220             1.16687290E-07   
P   21
  1 319811.1900000             -4.90449988E-06   
  2 108975.6400000             -2.28199292E-05   
  3  40849.4500000             -1.22870544E-04   
  4  16593.0780000             -5.32721009E-04   
  5   7199.0655000             -2.10332182E-03   
  6   3292.0533000             -7.34969096E-03   
  7   1568.2454000             -2.32100940E-02   
  8    770.5543300             -6.35496071E-02   
  9    387.3491800             -1.42363884E-01   
 10    197.9316700             -2.21934367E-01   
 11    102.3045000             -1.28823999E-01   
 12     53.2896300              2.82781705E-01   
 13     27.9000120              5.71502546E-01   
 14     14.6544970              2.71879414E-01   
 15      7.7124859              3.18720461E-02   
 16      4.0636568              2.51058030E-03   
 17      2.1424714             -3.15727385E-04   
 18      1.1299396              2.49576392E-04   
 19      0.59602305            -1.61924483E-04   
 20      0.31441253             6.40973034E-05   
 21      0.16586220            -1.76589463E-05   
P   21
  1 319811.1900000              2.36289815E-06   
  2 108975.6400000              1.09878961E-05   
  3  40849.4500000              5.92154087E-05   
  4  16593.0780000              2.56739712E-04   
  5   7199.0655000              1.01533608E-03   
  6   3292.0533000              3.55522861E-03   
  7   1568.2454000              1.12864057E-02   
  8    770.5543300              3.11713722E-02   
  9    387.3491800              7.08841208E-02   
 10    197.9316700              1.12484850E-01   
 11    102.3045000              5.72428179E-02   
 12     53.2896300             -2.12646256E-01   
 13     27.9000120             -4.67223900E-01   
 14     14.6544970             -5.57389544E-02   
 15      7.7124859              5.57222416E-01   
 16      4.0636568              5.07611104E-01   
 17      2.1424714              1.22964361E-01   
 18      1.1299396              8.78182107E-03   
 19      0.59602305             1.06416290E-04   
 20      0.31441253             3.68376705E-04   
 21      0.16586220            -1.23819661E-04   
P   21
  1 319811.1900000              8.61180642E-07   
  2 108975.6400000              3.99990885E-06   
  3  40849.4500000              2.15825645E-05   
  4  16593.0780000              9.34967459E-05   
  5   7199.0655000              3.70141324E-04   
  6   3292.0533000              1.29582055E-03   
  7   1568.2454000              4.12036772E-03   
  8    770.5543300              1.13943503E-02   
  9    387.3491800              2.60061025E-02   
 10    197.9316700              4.13894041E-02   
 11    102.3045000              2.04870577E-02   
 12     53.2896300             -8.46254637E-02   
 13     27.9000120             -1.89577842E-01   
 14     14.6544970             -1.38550423E-03   
 15      7.7124859              3.01113619E-01   
 16      4.0636568              3.30958187E-01   
 17      2.1424714             -8.43098230E-02   
 18      1.1299396             -4.77276981E-01   
 19      0.59602305            -4.53793367E-01   
 20      0.31441253            -1.62281155E-01   
 21      0.16586220            -2.99044526E-02   
D   18
  1   7199.0655000              1.09282472E-04   
  2   3292.0533000              4.03518015E-04   
  3   1568.2454000              2.08301795E-03   
  4    770.5543300              8.74932711E-03   
  5    387.3491800              3.20658817E-02   
  6    197.9316700              9.81526603E-02   
  7    102.3045000              2.28488752E-01   
  8     53.2896300              3.66419547E-01   
  9     27.9000120              3.31962772E-01   
 10     14.6544970              1.26539466E-01   
 11      7.7124859              1.74326278E-02   
 12      4.0636568              8.26986269E-04   
 13      2.1424714              4.45591503E-04   
 14      1.1299396             -1.52469682E-04   
 15      0.59602305             1.20572450E-04   
 16      0.31441253            -7.27721152E-05   
 17      0.16586220             3.36388708E-05   
 18      0.87498039E-01        -1.03042015E-05   
D   18
  1   7199.0655000             -5.33799086E-05   
  2   3292.0533000             -2.02222662E-04   
  3   1568.2454000             -1.02435279E-03   
  4    770.5543300             -4.39284922E-03   
  5    387.3491800             -1.60963692E-02   
  6    197.9316700             -5.05598556E-02   
  7    102.3045000             -1.18841856E-01   
  8     53.2896300             -1.86617611E-01   
  9     27.9000120             -1.05435050E-01   
 10     14.6544970              2.10917210E-01   
 11      7.7124859              4.45408147E-01   
 12      4.0636568              3.62366349E-01   
 13      2.1424714              1.25432802E-01   
 14      1.1299396              1.80434501E-02   
 15      0.59602305             7.85238660E-04   
 16      0.31441253             4.02788097E-04   
 17      0.16586220            -1.44811392E-04   
 18      0.87498039E-01         5.01665434E-05   
D   18
  1   7199.0655000              1.37620073E-05   
  2   3292.0533000              5.28460383E-05   
  3   1568.2454000              2.64572084E-04   
  4    770.5543300              1.14483547E-03   
  5    387.3491800              4.17850541E-03   
  6    197.9316700              1.32171297E-02   
  7    102.3045000              3.10305847E-02   
  8     53.2896300              4.87511730E-02   
  9     27.9000120              2.36784816E-02   
 10     14.6544970             -7.03233523E-02   
 11      7.7124859             -1.39065893E-01   
 12      4.0636568             -1.01737549E-01   
 13      2.1424714              6.75104940E-02   
 14      1.1299396              2.60172931E-01   
 15      0.59602305             3.46478449E-01   
 16      0.31441253             3.12693039E-01   
 17      0.16586220             1.67748035E-01   
 18      0.87498039E-01         7.32361585E-02   
F   12
  1    770.5543300              2.05367632E-04   
  2    387.3491800              8.35756363E-04   
  3    197.9316700              4.25554061E-03   
  4    102.3045000              1.76592369E-02   
  5     53.2896300              5.63085611E-02   
  6     27.9000120              1.41298490E-01   
  7     14.6544970              2.51112709E-01   
  8      7.7124859              3.10906479E-01   
  9      4.0636568              2.83862390E-01   
 10      2.1424714              1.90259023E-01   
 11      1.1299396              8.34600638E-02   
 12      0.59602305             3.01621727E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Re
data:
RHENIUM
S   28
  1 86861663.0000000            2.49653793E-06   
  2 17601376.0000000            1.40686801E-05   
  3 4135852.3000000             8.00584787E-05   
  4 1114542.1000000             3.70945124E-04   
  5 340096.1200000              1.47918233E-03   
  6 115868.5300000              5.12160047E-03   
  7  43425.4530000              1.56504545E-02   
  8  17638.2200000              4.24114658E-02   
  9   7653.5125000              1.00957606E-01   
 10   3501.2239000              2.02810974E-01   
 11   1669.0019000              3.14080199E-01   
 12    820.8342300              3.09987777E-01   
 13    413.1175800              1.38745607E-01   
 14    211.3973900              1.46298686E-02   
 15    109.4384300              1.08336154E-03   
 16     57.1043730             -6.74358347E-04   
 17     29.9521630              4.45796090E-04   
 18     15.7624830             -3.72814051E-04   
 19      8.3119034              2.79205020E-04   
 20      4.3882382             -1.97881800E-04   
 21      2.3182716              1.44182042E-04   
 22      1.2251404             -1.02906610E-04   
 23      0.64755668             7.14413487E-05   
 24      0.34229458            -4.80707892E-05   
 25      0.18093959             3.01727620E-05   
 26      0.95646855E-01        -1.66331125E-05   
 27      0.50560179E-01         7.06919348E-06   
 28      0.26726780E-01        -1.68128618E-06   
S   28
  1 86861663.0000000            8.29082374E-07   
  2 17601376.0000000            4.67128071E-06   
  3 4135852.3000000             2.65922433E-05   
  4 1114542.1000000             1.23231898E-04   
  5 340096.1200000              4.92237172E-04   
  6 115868.5300000              1.71015270E-03   
  7  43425.4530000              5.27891351E-03   
  8  17638.2200000              1.46191670E-02   
  9   7653.5125000              3.65556379E-02   
 10   3501.2239000              8.09812313E-02   
 11   1669.0019000              1.52016658E-01   
 12    820.8342300              2.06385883E-01   
 13    413.1175800              1.00906524E-01   
 14    211.3973900             -3.01979030E-01   
 15    109.4384300             -5.88368832E-01   
 16     57.1043730             -2.86019408E-01   
 17     29.9521630             -2.33767965E-02   
 18     15.7624830             -2.31773063E-03   
 19      8.3119034              1.57035172E-03   
 20      4.3882382             -8.68271175E-04   
 21      2.3182716              6.63534647E-04   
 22      1.2251404             -4.75068676E-04   
 23      0.64755668             3.21694063E-04   
 24      0.34229458            -2.18342404E-04   
 25      0.18093959             1.36912456E-04   
 26      0.95646855E-01        -7.56105604E-05   
 27      0.50560179E-01         3.21836710E-05   
 28      0.26726780E-01        -7.66393218E-06   
S   28
  1 86861663.0000000            3.90690522E-07   
  2 17601376.0000000            2.20122743E-06   
  3 4135852.3000000             1.25314781E-05   
  4 1114542.1000000             5.80748439E-05   
  5 340096.1200000              2.32029429E-04   
  6 115868.5300000              8.06564519E-04   
  7  43425.4530000              2.49347569E-03   
  8  17638.2200000              6.92851958E-03   
  9   7653.5125000              1.74560134E-02   
 10   3501.2239000              3.92682222E-02   
 11   1669.0019000              7.60558303E-02   
 12    820.8342300              1.09379472E-01   
 13    413.1175800              5.87870322E-02   
 14    211.3973900             -2.24488534E-01   
 15    109.4384300             -6.14297692E-01   
 16     57.1043730             -3.20378662E-01   
 17     29.9521630              7.25973392E-01   
 18     15.7624830              6.47577129E-01   
 19      8.3119034              8.08015847E-02   
 20      4.3882382              1.53704045E-02   
 21      2.3182716             -8.01708576E-03   
 22      1.2251404              5.94935557E-03   
 23      0.64755668            -4.38151854E-03   
 24      0.34229458             2.94768598E-03   
 25      0.18093959            -1.87892778E-03   
 26      0.95646855E-01         1.04354602E-03   
 27      0.50560179E-01        -4.45955914E-04   
 28      0.26726780E-01         1.06448388E-04   
S   28
  1 86861663.0000000           -1.91305854E-07   
  2 17601376.0000000           -1.07710077E-06   
  3 4135852.3000000            -6.13722025E-06   
  4 1114542.1000000            -2.84146944E-05   
  5 340096.1200000             -1.13660998E-04   
  6 115868.5300000             -3.94615588E-04   
  7  43425.4530000             -1.22243737E-03   
  8  17638.2200000             -3.39222799E-03   
  9   7653.5125000             -8.58526032E-03   
 10   3501.2239000             -1.93144637E-02   
 11   1669.0019000             -3.78792686E-02   
 12    820.8342300             -5.47874969E-02   
 13    413.1175800             -3.11536207E-02   
 14    211.3973900              1.24485383E-01   
 15    109.4384300              3.61120932E-01   
 16     57.1043730              2.26840366E-01   
 17     29.9521630             -7.28516036E-01   
 18     15.7624830             -8.81701876E-01   
 19      8.3119034              4.45795965E-01   
 20      4.3882382              8.97210459E-01   
 21      2.3182716              2.51283898E-01   
 22      1.2251404              5.37279428E-03   
 23      0.64755668             5.47062385E-03   
 24      0.34229458            -2.28154359E-03   
 25      0.18093959             1.55238068E-03   
 26      0.95646855E-01        -8.34248064E-04   
 27      0.50560179E-01         3.55196734E-04   
 28      0.26726780E-01        -8.46981166E-05   
S   28
  1 86861663.0000000           -7.70860602E-08   
  2 17601376.0000000           -4.33797372E-07   
  3 4135852.3000000            -2.47326626E-06   
  4 1114542.1000000            -1.14430877E-05   
  5 340096.1200000             -4.58107440E-05   
  6 115868.5300000             -1.58898836E-04   
  7  43425.4530000             -4.92868777E-04   
  8  17638.2200000             -1.36586260E-03   
  9   7653.5125000             -3.46496372E-03   
 10   3501.2239000             -7.78173684E-03   
 11   1669.0019000             -1.53416148E-02   
 12    820.8342300             -2.21311203E-02   
 13    413.1175800             -1.29166761E-02   
 14    211.3973900              5.19072776E-02   
 15    109.4384300              1.50962614E-01   
 16     57.1043730              1.01836533E-01   
 17     29.9521630             -3.51284901E-01   
 18     15.7624830             -4.37355800E-01   
 19      8.3119034              2.65013566E-01   
 20      4.3882382              8.36326580E-01   
 21      2.3182716              3.23267484E-01   
 22      1.2251404             -6.43125936E-01   
 23      0.64755668            -6.58971359E-01   
 24      0.34229458            -1.92727723E-01   
 25      0.18093959            -2.85560862E-03   
 26      0.95646855E-01        -4.86952971E-03   
 27      0.50560179E-01         1.96314667E-03   
 28      0.26726780E-01        -4.77579080E-04   
S   28
  1 86861663.0000000            2.01060998E-08   
  2 17601376.0000000            1.13128883E-07   
  3 4135852.3000000             6.45116735E-07   
  4 1114542.1000000             2.98414801E-06   
  5 340096.1200000              1.19495319E-05   
  6 115868.5300000              4.14360993E-05   
  7  43425.4530000              1.28573791E-04   
  8  17638.2200000              3.56156245E-04   
  9   7653.5125000              9.04094867E-04   
 10   3501.2239000              2.02913589E-03   
 11   1669.0019000              4.00570105E-03   
 12    820.8342300              5.77112455E-03   
 13    413.1175800              3.39113830E-03   
 14    211.3973900             -1.36261879E-02   
 15    109.4384300             -3.95521224E-02   
 16     57.1043730             -2.70765826E-02   
 17     29.9521630              9.42967704E-02   
 18     15.7624830              1.17301429E-01   
 19      8.3119034             -7.16568354E-02   
 20      4.3882382             -2.53427797E-01   
 21      2.3182716             -9.67074224E-02   
 22      1.2251404              2.36650387E-01   
 23      0.64755668             3.39834442E-01   
 24      0.34229458             1.96455300E-01   
 25      0.18093959            -8.71991296E-02   
 26      0.95646855E-01        -4.34999334E-01   
 27      0.50560179E-01        -4.67190838E-01   
 28      0.26726780E-01        -2.46459227E-01   
P   21
  1 340096.1200000              9.25182484E-06   
  2 115868.5300000              4.34123908E-05   
  3  43425.4530000              2.31712004E-04   
  4  17638.2200000              1.00929710E-03   
  5   7653.5125000              3.94476233E-03   
  6   3501.2239000              1.37195100E-02   
  7   1669.0019000              4.23520956E-02   
  8    820.8342300              1.12681046E-01   
  9    413.1175800              2.39837368E-01   
 10    211.3973900              3.60185986E-01   
 11    109.4384300              2.97967581E-01   
 12     57.1043730              9.59175687E-02   
 13     29.9521630              6.60202509E-03   
 14     15.7624830              3.16679014E-04   
 15      8.3119034             -2.38540878E-04   
 16      4.3882382              4.41021945E-05   
 17      2.3182716             -4.50834724E-05   
 18      1.2251404              2.72766792E-05   
 19      0.64755668            -1.30994132E-05   
 20      0.34229458             6.41478125E-06   
 21      0.18093959            -1.57150386E-06   
P   21
  1 340096.1200000             -4.62834824E-06   
  2 115868.5300000             -2.15856531E-05   
  3  43425.4530000             -1.16063069E-04   
  4  17638.2200000             -5.04121707E-04   
  5   7653.5125000             -1.98883505E-03   
  6   3501.2239000             -6.96308749E-03   
  7   1669.0019000             -2.20118462E-02   
  8    820.8342300             -6.06287304E-02   
  9    413.1175800             -1.37227801E-01   
 10    211.3973900             -2.19795193E-01   
 11    109.4384300             -1.42966669E-01   
 12     57.1043730              2.53393392E-01   
 13     29.9521630              5.71467986E-01   
 14     15.7624830              2.96232604E-01   
 15      8.3119034              3.75710179E-02   
 16      4.3882382              3.30927321E-03   
 17      2.3182716             -7.00578362E-04   
 18      1.2251404              5.17154617E-04   
 19      0.64755668            -3.30436617E-04   
 20      0.34229458             1.39780172E-04   
 21      0.18093959            -3.84989708E-05   
P   21
  1 340096.1200000              2.23752238E-06   
  2 115868.5300000              1.04522418E-05   
  3  43425.4530000              5.61289832E-05   
  4  17638.2200000              2.44221663E-04   
  5   7653.5125000              9.63627652E-04   
  6   3501.2239000              3.38472022E-03   
  7   1669.0019000              1.07428646E-02   
  8    820.8342300              2.98722916E-02   
  9    413.1175800              6.85400788E-02   
 10    211.3973900              1.11965920E-01   
 11    109.4384300              6.58251114E-02   
 12     57.1043730             -1.92448151E-01   
 13     29.9521630             -4.68423058E-01   
 14     15.7624830             -9.91085268E-02   
 15      8.3119034              5.37388110E-01   
 16      4.3882382              5.30598820E-01   
 17      2.3182716              1.37793059E-01   
 18      1.2251404              9.58501464E-03   
 19      0.64755668             5.09532923E-04   
 20      0.34229458             2.45695540E-04   
 21      0.18093959            -8.13587779E-05   
P   21
  1 340096.1200000              8.30557079E-07   
  2 115868.5300000              3.88236741E-06   
  3  43425.4530000              2.08364483E-05   
  4  17638.2200000              9.07167614E-05   
  5   7653.5125000              3.57877037E-04   
  6   3501.2239000              1.25810746E-03   
  7   1669.0019000              3.99589050E-03   
  8    820.8342300              1.11346512E-02   
  9    413.1175800              2.56187216E-02   
 10    211.3973900              4.20282853E-02   
 11    109.4384300              2.41369985E-02   
 12     57.1043730             -7.80701698E-02   
 13     29.9521630             -1.94269908E-01   
 14     15.7624830             -2.13539524E-02   
 15      8.3119034              2.96201878E-01   
 16      4.3882382              3.54087147E-01   
 17      2.3182716             -6.61604382E-02   
 18      1.2251404             -4.80878555E-01   
 19      0.64755668            -4.59214512E-01   
 20      0.34229458            -1.67225621E-01   
 21      0.18093959            -3.07280138E-02   
D   18
  1   7653.5125000              1.01964843E-04   
  2   3501.2239000              3.76161388E-04   
  3   1669.0019000              1.94342147E-03   
  4    820.8342300              8.17195502E-03   
  5    413.1175800              3.01035316E-02   
  6    211.3973900              9.29139315E-02   
  7    109.4384300              2.19725934E-01   
  8     57.1043730              3.60776701E-01   
  9     29.9521630              3.39999006E-01   
 10     15.7624830              1.37508538E-01   
 11      8.3119034              2.00483901E-02   
 12      4.3882382              1.08895404E-03   
 13      2.3182716              3.68718593E-04   
 14      1.2251404             -9.39201275E-05   
 15      0.64755668             7.95677084E-05   
 16      0.34229458            -4.83101579E-05   
 17      0.18093959             2.21609510E-05   
 18      0.95646855E-01        -6.76448149E-06   
D   18
  1   7653.5125000             -5.02344731E-05   
  2   3501.2239000             -1.89690233E-04   
  3   1669.0019000             -9.63628149E-04   
  4    820.8342300             -4.13076350E-03   
  5    413.1175800             -1.52257426E-02   
  6    211.3973900             -4.81660116E-02   
  7    109.4384300             -1.15229009E-01   
  8     57.1043730             -1.85941259E-01   
  9     29.9521630             -1.17667302E-01   
 10     15.7624830              1.92162662E-01   
 11      8.3119034              4.42642640E-01   
 12      4.3882382              3.74454937E-01   
 13      2.3182716              1.33105644E-01   
 14      1.2251404              1.90402817E-02   
 15      0.64755668             8.53632268E-04   
 16      0.34229458             2.77546900E-04   
 17      0.18093959            -1.49093259E-04   
 18      0.95646855E-01         2.60186263E-05   
D   18
  1   7653.5125000              1.36202418E-05   
  2   3501.2239000              5.20487510E-05   
  3   1669.0019000              2.61711207E-04   
  4    820.8342300              1.13092179E-03   
  5    413.1175800              4.15495941E-03   
  6    211.3973900              1.32299124E-02   
  7    109.4384300              3.16367635E-02   
  8     57.1043730              5.10743154E-02   
  9     29.9521630              2.86114888E-02   
 10     15.7624830             -6.86854531E-02   
 11      8.3119034             -1.46212373E-01   
 12      4.3882382             -1.13199421E-01   
 13      2.3182716              6.64729712E-02   
 14      1.2251404              2.72245041E-01   
 15      0.64755668             3.56771986E-01   
 16      0.34229458             3.07343839E-01   
 17      0.18093959             1.57328018E-01   
 18      0.95646855E-01         6.13466844E-02   
F   12
  1    820.8342300              1.94111154E-04   
  2    413.1175800              7.93058275E-04   
  3    211.3973900              4.04250438E-03   
  4    109.4384300              1.69099881E-02   
  5     57.1043730              5.45733176E-02   
  6     29.9521630              1.38578588E-01   
  7     15.7624830              2.50378161E-01   
  8      8.3119034              3.13847302E-01   
  9      4.3882382              2.87536647E-01   
 10      2.3182716              1.88535308E-01   
 11      1.2251404              7.92933103E-02   
 12      0.64755668             2.62106013E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Os
data:
OSMIUM
S   28
  1 91549282.0000000            2.41807711E-06   
  2 18522020.0000000            1.36590433E-05   
  3 4348043.2000000             7.77789735E-05   
  4 1171256.9000000             3.60458206E-04   
  5 357424.6400000              1.43681584E-03   
  6 121823.6200000              4.97171565E-03   
  7  45688.2330000              1.51828868E-02   
  8  18572.7720000              4.11449420E-02   
  9   8066.3284000              9.80920806E-02   
 10   3693.4349000              1.98008609E-01   
 11   1762.1595000              3.10081776E-01   
 12    867.3457500              3.13349253E-01   
 13    436.8421500              1.46644326E-01   
 14    223.6815800              1.69120113E-02   
 15    115.8641500              1.12212483E-03   
 16     60.4882450             -6.78088653E-04   
 17     31.7417860              4.60224476E-04   
 18     16.7114330             -3.89622073E-04   
 19      8.8158517              2.92434778E-04   
 20      4.6560883             -2.07850637E-04   
 21      2.4606951              1.51687557E-04   
 22      1.3008853             -1.08345460E-04   
 23      0.68784262             7.52550497E-05   
 24      0.36372127            -5.06497693E-05   
 25      0.19233546             3.17956994E-05   
 26      0.10170760            -1.75268915E-05   
 27      0.53783400E-01         7.44764254E-06   
 28      0.28440892E-01        -1.77076805E-06   
S   28
  1 91549282.0000000            8.03599946E-07   
  2 18522020.0000000            4.53848599E-06   
  3 4348043.2000000             2.58534808E-05   
  4 1171256.9000000             1.19831413E-04   
  5 357424.6400000              4.78460479E-04   
  6 121823.6200000              1.66106124E-03   
  7  45688.2330000              5.12304916E-03   
  8  18572.7720000              1.41796977E-02   
  9   8066.3284000              3.54683435E-02   
 10   3693.4349000              7.87506789E-02   
 11   1762.1595000              1.48782577E-01   
 12    867.3457500              2.05676956E-01   
 13    436.8421500              1.11249951E-01   
 14    223.6815800             -2.80682313E-01   
 15    115.8641500             -5.88687209E-01   
 16     60.4882450             -3.04877143E-01   
 17     31.7417860             -2.74388446E-02   
 18     16.7114330             -2.57798416E-03   
 19      8.8158517              1.76386698E-03   
 20      4.6560883             -1.02690130E-03   
 21      2.4606951              7.90543360E-04   
 22      1.3008853             -5.69418831E-04   
 23      0.68784262             3.88447777E-04   
 24      0.36372127            -2.63852723E-04   
 25      0.19233546             1.65701818E-04   
 26      0.10170760            -9.15531662E-05   
 27      0.53783400E-01         3.89743308E-05   
 28      0.28440892E-01        -9.27961544E-06   
S   28
  1 91549282.0000000            3.79283533E-07   
  2 18522020.0000000            2.14191748E-06   
  3 4348043.2000000             1.22028473E-05   
  4 1171256.9000000             5.65579570E-05   
  5 357424.6400000              2.25898456E-04   
  6 121823.6200000              7.84570831E-04   
  7  45688.2330000              2.42371151E-03   
  8  18572.7720000              6.72919524E-03   
  9   8066.3284000              1.69604351E-02   
 10   3693.4349000              3.82137222E-02   
 11   1762.1595000              7.44645488E-02   
 12    867.3457500              1.08828587E-01   
 13    436.8421500              6.48105489E-02   
 14    223.6815800             -2.07140942E-01   
 15    115.8641500             -6.05270055E-01   
 16     60.4882450             -3.58992484E-01   
 17     31.7417860              6.94310889E-01   
 18     16.7114330              6.77273117E-01   
 19      8.8158517              9.17454507E-02   
 20      4.6560883              1.65073206E-02   
 21      2.4606951             -8.62029641E-03   
 22      1.3008853              6.43962291E-03   
 23      0.68784262            -4.76067901E-03   
 24      0.36372127             3.21142612E-03   
 25      0.19233546            -2.04918373E-03   
 26      0.10170760             1.13872291E-03   
 27      0.53783400E-01        -4.86691220E-04   
 28      0.28440892E-01         1.16153580E-04   
S   28
  1 91549282.0000000            1.86393249E-07   
  2 18522020.0000000            1.05185978E-06   
  3 4348043.2000000             5.99795312E-06   
  4 1171256.9000000             2.77722305E-05   
  5 357424.6400000              1.11059548E-04   
  6 121823.6200000              3.85234083E-04   
  7  45688.2330000              1.19255255E-03   
  8  18572.7720000              3.30635586E-03   
  9   8066.3284000              8.37155411E-03   
 10   3693.4349000              1.88601949E-02   
 11   1762.1595000              3.72119131E-02   
 12    867.3457500              5.46770699E-02   
 13    436.8421500              3.43478071E-02   
 14    223.6815800             -1.15141578E-01   
 15    115.8641500             -3.55838204E-01   
 16     60.4882450             -2.52753626E-01   
 17     31.7417860              6.90969150E-01   
 18     16.7114330              9.21833864E-01   
 19      8.8158517             -3.97870473E-01   
 20      4.6560883             -9.18425176E-01   
 21      2.4606951             -2.68662370E-01   
 22      1.3008853             -5.67775282E-03   
 23      0.68784262            -6.10398222E-03   
 24      0.36372127             2.61840191E-03   
 25      0.19233546            -1.77206544E-03   
 26      0.10170760             9.53162651E-04   
 27      0.53783400E-01        -4.05936450E-04   
 28      0.28440892E-01         9.67804466E-05   
S   28
  1 91549282.0000000           -7.61995790E-08   
  2 18522020.0000000           -4.29770935E-07   
  3 4348043.2000000            -2.45235431E-06   
  4 1171256.9000000            -1.13463297E-05   
  5 357424.6400000             -4.54149933E-05   
  6 121823.6200000             -1.57364231E-04   
  7  45688.2330000             -4.87845777E-04   
  8  18572.7720000             -1.35047801E-03   
  9   8066.3284000             -3.42825307E-03   
 10   3693.4349000             -7.70760162E-03   
 11   1762.1595000             -1.52934765E-02   
 12    867.3457500             -2.23978401E-02   
 13    436.8421500             -1.44438958E-02   
 14    223.6815800              4.87794315E-02   
 15    115.8641500              1.50740225E-01   
 16     60.4882450              1.14926302E-01   
 17     31.7417860             -3.38311859E-01   
 18     16.7114330             -4.64364106E-01   
 19      8.8158517              2.37449994E-01   
 20      4.6560883              8.65008570E-01   
 21      2.4606951              3.49144792E-01   
 22      1.3008853             -6.59027790E-01   
 23      0.68784262            -6.60966153E-01   
 24      0.36372127            -1.92195332E-01   
 25      0.19233546            -2.12953742E-03   
 26      0.10170760            -5.37142627E-03   
 27      0.53783400E-01         2.17201815E-03   
 28      0.28440892E-01        -5.29516587E-04   
S   28
  1 91549282.0000000            1.99455098E-08   
  2 18522020.0000000            1.12474608E-07   
  3 4348043.2000000             6.41938660E-07   
  4 1171256.9000000             2.96935321E-06   
  5 357424.6400000              1.18885283E-05   
  6 121823.6200000              4.11803567E-05   
  7  45688.2330000              1.27718551E-04   
  8  18572.7720000              3.53379029E-04   
  9   8066.3284000              8.97734481E-04   
 10   3693.4349000              2.01680298E-03   
 11   1762.1595000              4.00768422E-03   
 12    867.3457500              5.86067100E-03   
 13    436.8421500              3.80599185E-03   
 14    223.6815800             -1.28588745E-02   
 15    115.8641500             -3.96280327E-02   
 16     60.4882450             -3.06740497E-02   
 17     31.7417860              9.12550306E-02   
 18     16.7114330              1.25095068E-01   
 19      8.8158517             -6.41073081E-02   
 20      4.6560883             -2.64074454E-01   
 21      2.4606951             -1.04852504E-01   
 22      1.3008853              2.46483008E-01   
 23      0.68784262             3.43152159E-01   
 24      0.36372127             1.89611151E-01   
 25      0.19233546            -8.83205566E-02   
 26      0.10170760            -4.32770890E-01   
 27      0.53783400E-01        -4.57754825E-01   
 28      0.28440892E-01        -2.55927194E-01   
P   21
  1 357424.6400000              8.89386577E-06   
  2 121823.6200000              4.16946867E-05   
  3  45688.2330000              2.22200002E-04   
  4  18572.7720000              9.66869874E-04   
  5   8066.3284000              3.77466630E-03   
  6   3693.4349000              1.31327677E-02   
  7   1762.1595000              4.06037006E-02   
  8    867.3457500              1.08583525E-01   
  9    436.8421500              2.33397810E-01   
 10    223.6815800              3.57149534E-01   
 11    115.8641500              3.05252182E-01   
 12     60.4882450              1.03477184E-01   
 13     31.7417860              7.68239236E-03   
 14     16.7114330              4.00350515E-04   
 15      8.8158517             -2.94340873E-04   
 16      4.6560883              8.29741447E-05   
 17      2.4606951             -7.33415647E-05   
 18      1.3008853              4.62825415E-05   
 19      0.68784262            -2.36958259E-05   
 20      0.36372127             1.13928199E-05   
 21      0.19233546            -2.86067985E-06   
P   21
  1 357424.6400000             -4.45642964E-06   
  2 121823.6200000             -2.07811220E-05   
  3  45688.2330000             -1.11476790E-04   
  4  18572.7720000             -4.83975965E-04   
  5   8066.3284000             -1.90599978E-03   
  6   3693.4349000             -6.67687125E-03   
  7   1762.1595000             -2.11209307E-02   
  8    867.3457500             -5.84511103E-02   
  9    436.8421500             -1.33438101E-01   
 10    223.6815800             -2.18132120E-01   
 11    115.8641500             -1.52930421E-01   
 12     60.4882450              2.32846413E-01   
 13     31.7417860              5.70856226E-01   
 14     16.7114330              3.12947761E-01   
 15      8.8158517              4.17183058E-02   
 16      4.6560883              3.82248301E-03   
 17      2.4606951             -9.56944147E-04   
 18      1.3008853              6.87077723E-04   
 19      0.68784262            -4.40606037E-04   
 20      0.36372127             1.88906993E-04   
 21      0.19233546            -5.22565757E-05   
P   21
  1 357424.6400000              2.16273893E-06   
  2 121823.6200000              1.01146392E-05   
  3  45688.2330000              5.41203586E-05   
  4  18572.7720000              2.35613111E-04   
  5   8066.3284000              9.27200028E-04   
  6   3693.4349000              3.26089922E-03   
  7   1762.1595000              1.03488928E-02   
  8    867.3457500              2.89269099E-02   
  9    436.8421500              6.68877109E-02   
 10    223.6815800              1.11643472E-01   
 11    115.8641500              7.19985410E-02   
 12     60.4882450             -1.78872701E-01   
 13     31.7417860             -4.69325895E-01   
 14     16.7114330             -1.27352853E-01   
 15      8.8158517              5.26105044E-01   
 16      4.6560883              5.45239441E-01   
 17      2.4606951              1.45192029E-01   
 18      1.3008853              9.95023598E-03   
 19      0.68784262             6.71012938E-04   
 20      0.36372127             2.09693578E-04   
 21      0.19233546            -6.22476105E-05   
P   21
  1 357424.6400000              8.17445412E-07   
  2 121823.6200000              3.82939492E-06   
  3  45688.2330000              2.04577375E-05   
  4  18572.7720000              8.91893746E-05   
  5   8066.3284000              3.50681770E-04   
  6   3693.4349000              1.23508800E-03   
  7   1762.1595000              3.92039242E-03   
  8    867.3457500              1.09863324E-02   
  9    436.8421500              2.54622067E-02   
 10    223.6815800              4.27112585E-02   
 11    115.8641500              2.69836233E-02   
 12     60.4882450             -7.39996586E-02   
 13     31.7417860             -1.98670248E-01   
 14     16.7114330             -3.49644959E-02   
 15      8.8158517              2.96558311E-01   
 16      4.6560883              3.72854386E-01   
 17      2.4606951             -6.23781675E-02   
 18      1.3008853             -4.92217233E-01   
 19      0.68784262            -4.58615372E-01   
 20      0.36372127            -1.63165385E-01   
 21      0.19233546            -2.94063153E-02   
D   18
  1   8066.3284000              9.68727720E-05   
  2   3693.4349000              3.56320625E-04   
  3   1762.1595000              1.84225276E-03   
  4    867.3457500              7.75379476E-03   
  5    436.8421500              2.86990149E-02   
  6    223.6815800              8.92342139E-02   
  7    115.8641500              2.13718166E-01   
  8     60.4882450              3.57113771E-01   
  9     31.7417860              3.45473311E-01   
 10     16.7114330              1.44923253E-01   
 11      8.8158517              2.18205520E-02   
 12      4.6560883              1.25638929E-03   
 13      2.4606951              3.08068626E-04   
 14      1.3008853             -5.68534328E-05   
 15      0.68784262             4.84785727E-05   
 16      0.36372127            -3.28579367E-05   
 17      0.19233546             1.32301598E-05   
 18      0.10170760            -4.67338651E-06   
D   18
  1   8066.3284000             -4.81035925E-05   
  2   3693.4349000             -1.80877947E-04   
  3   1762.1595000             -9.20516396E-04   
  4    867.3457500             -3.94632472E-03   
  5    436.8421500             -1.46215929E-02   
  6    223.6815800             -4.65622757E-02   
  7    115.8641500             -1.12955706E-01   
  8     60.4882450             -1.85957099E-01   
  9     31.7417860             -1.25736609E-01   
 10     16.7114330              1.80983011E-01   
 11      8.8158517              4.42616454E-01   
 12      4.6560883              3.81734028E-01   
 13      2.4606951              1.35656215E-01   
 14      1.3008853              1.90083747E-02   
 15      0.68784262             9.42156719E-04   
 16      0.36372127             3.48475998E-04   
 17      0.19233546            -9.18172859E-05   
 18      0.10170760             4.15643116E-05   
D   18
  1   8066.3284000              1.35504029E-05   
  2   3693.4349000              5.15810405E-05   
  3   1762.1595000              2.59744477E-04   
  4    867.3457500              1.12276673E-03   
  5    436.8421500              4.14607575E-03   
  6    223.6815800              1.32907521E-02   
  7    115.8641500              3.22336300E-02   
  8     60.4882450              5.31133790E-02   
  9     31.7417860              3.21918874E-02   
 10     16.7114330             -6.82924457E-02   
 11      8.8158517             -1.53026028E-01   
 12      4.6560883             -1.21331604E-01   
 13      2.4606951              7.23803332E-02   
 14      1.3008853              2.85321662E-01   
 15      0.68784262             3.57329455E-01   
 16      0.36372127             2.98908473E-01   
 17      0.19233546             1.51157629E-01   
 18      0.10170760             5.98203814E-02   
F   12
  1    867.3457500              1.86860265E-04   
  2    436.8421500              7.66413781E-04   
  3    223.6815800              3.91660910E-03   
  4    115.8641500              1.65025948E-02   
  5     60.4882450              5.38240314E-02   
  6     31.7417860              1.37958461E-01   
  7     16.7114330              2.51870669E-01   
  8      8.8158517              3.17674254E-01   
  9      4.6560883              2.89995962E-01   
 10      2.4606951              1.84347158E-01   
 11      1.3008853              7.36386624E-02   
 12      0.68784262             2.18615428E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Ir
data:
IRIDIUM
S   28
  1 94689771.0000000            2.38854663E-06   
  2 19312937.0000000            1.33285288E-05   
  3 4555994.7000000             7.56320660E-05   
  4 1230017.6000000             3.50050183E-04   
  5 375413.9800000              1.39726016E-03   
  6 127789.3000000              4.84910400E-03   
  7  47823.6340000              1.48643126E-02   
  8  19394.0760000              4.04430011E-02   
  9   8404.2078000              9.67964745E-02   
 10   3841.4461000              1.96180052E-01   
 11   1830.8483000              3.08766385E-01   
 12    900.9006100              3.14729209E-01   
 13    453.9605200              1.49811062E-01   
 14    232.7207100              1.79592341E-02   
 15    120.7602100              1.13559433E-03   
 16     63.1866630             -6.73053131E-04   
 17     33.2450730              4.63469820E-04   
 18     17.5537630             -3.96199540E-04   
 19      9.2889135              2.98477071E-04   
 20      4.9217725             -2.12965068E-04   
 21      2.6097127              1.55952778E-04   
 22      1.3842960             -1.11659374E-04   
 23      0.73442114             7.76947900E-05   
 24      0.38966943            -5.23593823E-05   
 25      0.20675729             3.28879427E-05   
 26      0.10970579            -1.81220340E-05   
 27      0.58210227E-01         7.68822196E-06   
 28      0.30886535E-01        -1.82286287E-06   
S   28
  1 94689771.0000000            7.94334575E-07   
  2 19312937.0000000            4.43175193E-06   
  3 4555994.7000000             2.51571083E-05   
  4 1230017.6000000             1.16451247E-04   
  5 375413.9800000              4.65587877E-04   
  6 127789.3000000              1.62104645E-03   
  7  47823.6340000              5.01755332E-03   
  8  19394.0760000              1.39393547E-02   
  9   8404.2078000              3.49823136E-02   
 10   3841.4461000              7.79102857E-02   
 11   1830.8483000              1.47668998E-01   
 12    900.9006100              2.05513844E-01   
 13    453.9605200              1.15229074E-01   
 14    232.7207100             -2.71053713E-01   
 15    120.7602100             -5.87042885E-01   
 16     63.1866630             -3.14058278E-01   
 17     33.2450730             -3.01465512E-02   
 18     17.5537630             -2.63369082E-03   
 19      9.2889135              1.79429033E-03   
 20      4.9217725             -1.05963227E-03   
 21      2.6097127              8.23144531E-04   
 22      1.3842960             -5.95463022E-04   
 23      0.73442114             4.07159217E-04   
 24      0.38966943            -2.76870714E-04   
 25      0.20675729             1.73861538E-04   
 26      0.10970579            -9.59444360E-05   
 27      0.58210227E-01         4.07446951E-05   
 28      0.30886535E-01        -9.66749944E-06   
S   28
  1 94689771.0000000            3.75484964E-07   
  2 19312937.0000000            2.09467947E-06   
  3 4555994.7000000             1.18924429E-05   
  4 1230017.6000000             5.50446263E-05   
  5 375413.9800000              2.20159631E-04   
  6 127789.3000000              7.66794872E-04   
  7  47823.6340000              2.37741628E-03   
  8  19394.0760000              6.62429793E-03   
  9   8404.2078000              1.67519908E-02   
 10   3841.4461000              3.78490789E-02   
 11   1830.8483000              7.39896452E-02   
 12    900.9006100              1.08781425E-01   
 13    453.9605200              6.72042742E-02   
 14    232.7207100             -1.99777585E-01   
 15    120.7602100             -5.99964821E-01   
 16     63.1866630             -3.77909266E-01   
 17     33.2450730              6.72657604E-01   
 18     17.5537630              6.93828465E-01   
 19      9.2889135              1.01155060E-01   
 20      4.9217725              1.69284936E-02   
 21      2.6097127             -8.68016121E-03   
 22      1.3842960              6.52667553E-03   
 23      0.73442114            -4.85336619E-03   
 24      0.38966943             3.27908245E-03   
 25      0.20675729            -2.09442649E-03   
 26      0.10970579             1.16308069E-03   
 27      0.58210227E-01        -4.96101383E-04   
 28      0.30886535E-01         1.18017288E-04   
S   28
  1 94689771.0000000            1.85193661E-07   
  2 19312937.0000000            1.03240113E-06   
  3 4555994.7000000             5.86648674E-06   
  4 1230017.6000000             2.71275533E-05   
  5 375413.9800000              1.08627678E-04   
  6 127789.3000000              3.77881589E-04   
  7  47823.6340000              1.17395243E-03   
  8  19394.0760000              3.26675809E-03   
  9   8404.2078000              8.29778591E-03   
 10   3841.4461000              1.87489745E-02   
 11   1830.8483000              3.71006912E-02   
 12    900.9006100              5.48582021E-02   
 13    453.9605200              3.56755864E-02   
 14    232.7207100             -1.11376261E-01   
 15    120.7602100             -3.53727123E-01   
 16     63.1866630             -2.65735640E-01   
 17     33.2450730              6.67796371E-01   
 18     17.5537630              9.45149102E-01   
 19      9.2889135             -3.58285067E-01   
 20      4.9217725             -9.33248563E-01   
 21      2.6097127             -2.84830466E-01   
 22      1.3842960             -6.59767885E-03   
 23      0.73442114            -6.57218413E-03   
 24      0.38966943             2.82621569E-03   
 25      0.20675729            -1.91803730E-03   
 26      0.10970579             1.02957195E-03   
 27      0.58210227E-01        -4.37573628E-04   
 28      0.30886535E-01         1.03971995E-04   
S   28
  1 94689771.0000000           -7.67017354E-08   
  2 19312937.0000000           -4.27339631E-07   
  3 4555994.7000000            -2.43006200E-06   
  4 1230017.6000000            -1.12279521E-05   
  5 375413.9800000             -4.50032016E-05   
  6 127789.3000000             -1.56380151E-04   
  7  47823.6340000             -4.86537243E-04   
  8  19394.0760000             -1.35175344E-03   
  9   8404.2078000             -3.44266288E-03   
 10   3841.4461000             -7.76226181E-03   
 11   1830.8483000             -1.54487127E-02   
 12    900.9006100             -2.27649923E-02   
 13    453.9605200             -1.51982973E-02   
 14    232.7207100              4.78460395E-02   
 15    120.7602100              1.51782929E-01   
 16     63.1866630              1.22383196E-01   
 17     33.2450730             -3.31765860E-01   
 18     17.5537630             -4.82936222E-01   
 19      9.2889135              2.14404878E-01   
 20      4.9217725              8.88994851E-01   
 21      2.6097127              3.73238157E-01   
 22      1.3842960             -6.64841006E-01   
 23      0.73442114            -6.64565179E-01   
 24      0.38966943            -1.98015058E-01   
 25      0.20675729            -2.14475260E-03   
 26      0.10970579            -5.91326467E-03   
 27      0.58210227E-01         2.39322076E-03   
 28      0.30886535E-01        -5.83021251E-04   
S   28
  1 94689771.0000000            2.00317539E-08   
  2 19312937.0000000            1.11583462E-07   
  3 4555994.7000000             6.34675359E-07   
  4 1230017.6000000             2.93166901E-06   
  5 375413.9800000              1.17543417E-05   
  6 127789.3000000              4.08291874E-05   
  7  47823.6340000              1.27091925E-04   
  8  19394.0760000              3.52898863E-04   
  9   8404.2078000              8.99517254E-04   
 10   3841.4461000              2.02638525E-03   
 11   1830.8483000              4.03966403E-03   
 12    900.9006100              5.94243096E-03   
 13    453.9605200              3.99790269E-03   
 14    232.7207100             -1.25935081E-02   
 15    120.7602100             -3.98050393E-02   
 16     63.1866630             -3.26226536E-02   
 17     33.2450730              8.94304249E-02   
 18     17.5537630              1.29843589E-01   
 19      9.2889135             -5.72924320E-02   
 20      4.9217725             -2.72062909E-01   
 21      2.6097127             -1.11200175E-01   
 22      1.3842960              2.49500047E-01   
 23      0.73442114             3.43450721E-01   
 24      0.38966943             1.83591828E-01   
 25      0.20675729            -7.21756136E-02   
 26      0.10970579            -4.27349474E-01   
 27      0.58210227E-01        -4.39607822E-01   
 28      0.30886535E-01        -2.89055165E-01   
P   21
  1 375413.9800000              8.55599040E-06   
  2 127789.3000000              4.02877890E-05   
  3  47823.6340000              2.15554429E-04   
  4  19394.0760000              9.42581987E-04   
  5   8404.2078000              3.69461659E-03   
  6   3841.4461000              1.28957026E-02   
  7   1830.8483000              3.99579858E-02   
  8    900.9006100              1.07058292E-01   
  9    453.9605200              2.30742853E-01   
 10    232.7207100              3.55189544E-01   
 11    120.7602100              3.07776510E-01   
 12     63.1866630              1.07212031E-01   
 13     33.2450730              8.38456724E-03   
 14     17.5537630              4.33248071E-04   
 15      9.2889135             -3.14346303E-04   
 16      4.9217725              9.66135170E-05   
 17      2.6097127             -8.38709266E-05   
 18      1.3842960              5.38601587E-05   
 19      0.73442114            -2.76341577E-05   
 20      0.38966943             1.33265463E-05   
 21      0.20675729            -3.32738587E-06   
P   21
  1 375413.9800000             -4.29411714E-06   
  2 127789.3000000             -2.01252173E-05   
  3  47823.6340000             -1.08315858E-04   
  4  19394.0760000             -4.72811985E-04   
  5   8404.2078000             -1.86856973E-03   
  6   3841.4461000             -6.56887870E-03   
  7   1830.8483000             -2.08146094E-02   
  8    900.9006100             -5.77166319E-02   
  9    453.9605200             -1.32046184E-01   
 10    232.7207100             -2.17301190E-01   
 11    120.7602100             -1.57064854E-01   
 12     63.1866630              2.21772598E-01   
 13     33.2450730              5.68189685E-01   
 14     17.5537630              3.22747248E-01   
 15      9.2889135              4.52111491E-02   
 16      4.9217725              4.06329373E-03   
 17      2.6097127             -1.02756574E-03   
 18      1.3842960              7.31190773E-04   
 19      0.73442114            -4.76710843E-04   
 20      0.38966943             2.02969385E-04   
 21      0.20675729            -5.64807061E-05   
P   21
  1 375413.9800000              2.09302890E-06   
  2 127789.3000000              9.83985180E-06   
  3  47823.6340000              5.28150207E-05   
  4  19394.0760000              2.31211838E-04   
  5   8404.2078000              9.12968447E-04   
  6   3841.4461000              3.22246877E-03   
  7   1830.8483000              1.02432557E-02   
  8    900.9006100              2.86899838E-02   
  9    453.9605200              6.64757479E-02   
 10    232.7207100              1.11730061E-01   
 11    120.7602100              7.48171461E-02   
 12     63.1866630             -1.72151963E-01   
 13     33.2450730             -4.68986558E-01   
 14     17.5537630             -1.45411086E-01   
 15      9.2889135              5.15329307E-01   
 16      4.9217725              5.55826306E-01   
 17      2.6097127              1.51880178E-01   
 18      1.3842960              1.06584282E-02   
 19      0.73442114             7.60470154E-04   
 20      0.38966943             2.22257625E-04   
 21      0.20675729            -5.53052319E-05   
P   21
  1 375413.9800000              8.04137443E-07   
  2 127789.3000000              3.78849539E-06   
  3  47823.6340000              2.02937360E-05   
  4  19394.0760000              8.89987274E-05   
  5   8404.2078000              3.51018263E-04   
  6   3841.4461000              1.24106264E-03   
  7   1830.8483000              3.94481581E-03   
  8    900.9006100              1.10798135E-02   
  9    453.9605200              2.57269573E-02   
 10    232.7207100              4.34721516E-02   
 11    120.7602100              2.85430199E-02   
 12     63.1866630             -7.25133704E-02   
 13     33.2450730             -2.02196800E-01   
 14     17.5537630             -4.41670676E-02   
 15      9.2889135              2.96653045E-01   
 16      4.9217725              3.88820870E-01   
 17      2.6097127             -5.78850210E-02   
 18      1.3842960             -4.97667984E-01   
 19      0.73442114            -4.59026307E-01   
 20      0.38966943            -1.63126224E-01   
 21      0.20675729            -2.96354837E-02   
D   18
  1   8404.2078000              9.43910793E-05   
  2   3841.4461000              3.49343654E-04   
  3   1830.8483000              1.80908562E-03   
  4    900.9006100              7.61849059E-03   
  5    453.9605200              2.82199402E-02   
  6    232.7207100              8.77860162E-02   
  7    120.7602100              2.10827896E-01   
  8     63.1866630              3.54333868E-01   
  9     33.2450730              3.47124767E-01   
 10     17.5537630              1.49109586E-01   
 11      9.2889135              2.31756677E-02   
 12      4.9217725              1.35134798E-03   
 13      2.6097127              2.90042327E-04   
 14      1.3842960             -4.96593441E-05   
 15      0.73442114             3.84611690E-05   
 16      0.38966943            -2.91591941E-05   
 17      0.20675729             1.03704143E-05   
 18      0.10970579            -4.17783894E-06   
D   18
  1   8404.2078000             -4.72274507E-05   
  2   3841.4461000             -1.78540494E-04   
  3   1830.8483000             -9.10777314E-04   
  4    900.9006100             -3.90492475E-03   
  5    453.9605200             -1.44840716E-02   
  6    232.7207100             -4.61336030E-02   
  7    120.7602100             -1.12285417E-01   
  8     63.1866630             -1.86152883E-01   
  9     33.2450730             -1.29842713E-01   
 10     17.5537630              1.73773155E-01   
 11      9.2889135              4.41364291E-01   
 12      4.9217725              3.86359640E-01   
 13      2.6097127              1.37589665E-01   
 14      1.3842960              1.92537065E-02   
 15      0.73442114             9.95303891E-04   
 16      0.38966943             4.27093343E-04   
 17      0.20675729            -6.66052905E-05   
 18      0.10970579             5.56972246E-05   
D   18
  1   8404.2078000              1.37788342E-05   
  2   3841.4461000              5.27444990E-05   
  3   1830.8483000              2.66190104E-04   
  4    900.9006100              1.15091244E-03   
  5    453.9605200              4.25442558E-03   
  6    232.7207100              1.36429321E-02   
  7    120.7602100              3.31987430E-02   
  8     63.1866630              5.51034979E-02   
  9     33.2450730              3.45975539E-02   
 10     17.5537630             -6.88004881E-02   
 11      9.2889135             -1.59149033E-01   
 12      4.9217725             -1.28446613E-01   
 13      2.6097127              7.70575365E-02   
 14      1.3842960              2.95107436E-01   
 15      0.73442114             3.57834991E-01   
 16      0.38966943             2.92570876E-01   
 17      0.20675729             1.45520617E-01   
 18      0.10970579             5.76295295E-02   
F   12
  1    900.9006100              1.87895825E-04   
  2    453.9605200              7.69440207E-04   
  3    232.7207100              3.93113554E-03   
  4    120.7602100              1.65362192E-02   
  5     63.1866630              5.39939558E-02   
  6     33.2450730              1.38492965E-01   
  7     17.5537630              2.53311485E-01   
  8      9.2889135              3.20010187E-01   
  9      4.9217725              2.90543840E-01   
 10      2.6097127              1.79767371E-01   
 11      1.3842960              6.86732579E-02   
 12      0.73442114             1.89478008E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Pt
data:
PLATINUM
S   28
  1 97069151.0000000            2.37020879E-06   
  2 20323110.0000000            1.26998799E-05   
  3 4876833.2000000             7.11151091E-05   
  4 1328855.7000000             3.26711374E-04   
  5 406753.5500000              1.30559696E-03   
  6 138201.1600000              4.56029489E-03   
  7  51463.8230000              1.41178668E-02   
  8  20733.4110000              3.88558214E-02   
  9   8922.7141000              9.41065542E-02   
 10   4053.0081000              1.92965716E-01   
 11   1922.1628000              3.07373665E-01   
 12    942.7584800              3.18020227E-01   
 13    474.3600500              1.54960439E-01   
 14    243.2441900              1.94974956E-02   
 15    126.4500400              1.17454869E-03   
 16     66.3699520             -6.79682059E-04   
 17     35.0649750              4.80582415E-04   
 18     18.6061970             -4.16686309E-04   
 19      9.9001060              3.16266282E-04   
 20      5.2765871             -2.27743054E-04   
 21      2.8150788              1.68005733E-04   
 22      1.5026560             -1.20941504E-04   
 23      0.80231679             8.45453334E-05   
 24      0.42843613            -5.71682976E-05   
 25      0.22879584             3.59675310E-05   
 26      0.12218490            -1.98074300E-05   
 27      0.65251259E-01         8.37638599E-06   
 28      0.34846613E-01        -1.97490357E-06   
S   28
  1 97069151.0000000            7.88766984E-07   
  2 20323110.0000000            4.22558057E-06   
  3 4876833.2000000             2.36704146E-05   
  4 1328855.7000000             1.08758005E-04   
  5 406753.5500000              4.35291689E-04   
  6 138201.1600000              1.52512200E-03   
  7  51463.8230000              4.76549355E-03   
  8  20733.4110000              1.33826592E-02   
  9   8922.7141000              3.39405974E-02   
 10   4053.0081000              7.63343188E-02   
 11   1922.1628000              1.45994102E-01   
 12    942.7584800              2.05750220E-01   
 13    474.3600500              1.21260406E-01   
 14    243.2441900             -2.57924876E-01   
 15    126.4500400             -5.84291463E-01   
 16     66.3699520             -3.26385230E-01   
 17     35.0649750             -3.43828562E-02   
 18     18.6061970             -2.65953871E-03   
 19      9.9001060              1.77478028E-03   
 20      5.2765871             -1.06187743E-03   
 21      2.8150788              8.41169314E-04   
 22      1.5026560             -6.12576456E-04   
 23      0.80231679             4.20438477E-04   
 24      0.42843613            -2.86826108E-04   
 25      0.22879584             1.80129599E-04   
 26      0.12218490            -9.92106917E-05   
 27      0.65251259E-01         4.19448419E-05   
 28      0.34846613E-01        -9.88694331E-06   
S   28
  1 97069151.0000000            3.73412082E-07   
  2 20323110.0000000            2.00011815E-06   
  3 4876833.2000000             1.12065476E-05   
  4 1328855.7000000             5.14819670E-05   
  5 406753.5500000              2.06143552E-04   
  6 138201.1600000              7.22421005E-04   
  7  51463.8230000              2.26123086E-03   
  8  20733.4110000              6.36735707E-03   
  9   8922.7141000              1.62722730E-02   
 10   4053.0081000              3.71085516E-02   
 11   1922.1628000              7.31878719E-02   
 12    942.7584800              1.08843974E-01   
 13    474.3600500              7.07506881E-02   
 14    243.2441900             -1.89590679E-01   
 15    126.4500400             -5.91604932E-01   
 16     66.3699520             -4.02728175E-01   
 17     35.0649750              6.38190326E-01   
 18     18.6061970              7.16502581E-01   
 19      9.9001060              1.16804252E-01   
 20      5.2765871              1.77625323E-02   
 21      2.8150788             -8.70288227E-03   
 22      1.5026560              6.64504865E-03   
 23      0.80231679            -4.98739911E-03   
 24      0.42843613             3.37806395E-03   
 25      0.22879584            -2.16173247E-03   
 26      0.12218490             1.19881731E-03   
 27      0.65251259E-01        -5.09374159E-04   
 28      0.34846613E-01         1.20429897E-04   
S   28
  1 97069151.0000000            1.84836236E-07   
  2 20323110.0000000            9.89356285E-07   
  3 4876833.2000000             5.54809153E-06   
  4 1328855.7000000             2.54636967E-05   
  5 406753.5500000              1.02077246E-04   
  6 138201.1600000              3.57309620E-04   
  7  51463.8230000              1.12052983E-03   
  8  20733.4110000              3.15150769E-03   
  9   8922.7141000              8.08772403E-03   
 10   4053.0081000              1.84487558E-02   
 11   1922.1628000              3.68154076E-02   
 12    942.7584800              5.50899085E-02   
 13    474.3600500              3.75907535E-02   
 14    243.2441900             -1.05961226E-01   
 15    126.4500400             -3.49519461E-01   
 16     66.3699520             -2.82353346E-01   
 17     35.0649750              6.29774368E-01   
 18     18.6061970              9.73296993E-01   
 19      9.9001060             -2.89746314E-01   
 20      5.2765871             -9.48039161E-01   
 21      2.8150788             -3.18701918E-01   
 22      1.5026560             -8.21447813E-03   
 23      0.80231679            -8.13395052E-03   
 24      0.42843613             3.71138518E-03   
 25      0.22879584            -2.52588324E-03   
 26      0.12218490             1.36205144E-03   
 27      0.65251259E-01        -5.78254986E-04   
 28      0.34846613E-01         1.36754282E-04   
S   28
  1 97069151.0000000           -7.74741629E-08   
  2 20323110.0000000           -4.14426436E-07   
  3 4876833.2000000            -2.32583187E-06   
  4 1328855.7000000            -1.06655349E-05   
  5 406753.5500000             -4.27981983E-05   
  6 138201.1600000             -1.49638743E-04   
  7  51463.8230000             -4.69977798E-04   
  8  20733.4110000             -1.31969779E-03   
  9   8922.7141000             -3.39577903E-03   
 10   4053.0081000             -7.72948450E-03   
 11   1922.1628000             -1.55139575E-02   
 12    942.7584800             -2.31345706E-02   
 13    474.3600500             -1.61991820E-02   
 14    243.2441900              4.61148744E-02   
 15    126.4500400              1.51700405E-01   
 16     66.3699520              1.31505609E-01   
 17     35.0649750             -3.17091472E-01   
 18     18.6061970             -5.03306167E-01   
 19      9.9001060              1.71851009E-01   
 20      5.2765871              9.00222755E-01   
 21      2.8150788              4.28818437E-01   
 22      1.5026560             -6.44584716E-01   
 23      0.80231679            -6.80469413E-01   
 24      0.42843613            -2.21346343E-01   
 25      0.22879584            -3.77637675E-03   
 26      0.12218490            -6.91621736E-03   
 27      0.65251259E-01         2.78416008E-03   
 28      0.34846613E-01        -6.76756289E-04   
S   28
  1 97069151.0000000            2.01350354E-08   
  2 20323110.0000000            1.07677493E-07   
  3 4876833.2000000             6.04507257E-07   
  4 1328855.7000000             2.77105544E-06   
  5 406753.5500000              1.11243225E-05   
  6 138201.1600000              3.88754469E-05   
  7  51463.8230000              1.22174517E-04   
  8  20733.4110000              3.42813367E-04   
  9   8922.7141000              8.83024775E-04   
 10   4053.0081000              2.00766002E-03   
 11   1922.1628000              4.03776329E-03   
 12    942.7584800              6.00721238E-03   
 13    474.3600500              4.24537288E-03   
 14    243.2441900             -1.20965742E-02   
 15    126.4500400             -3.95593287E-02   
 16     66.3699520             -3.49519401E-02   
 17     35.0649750              8.52885957E-02   
 18     18.6061970              1.34473840E-01   
 19      9.9001060             -4.45185823E-02   
 20      5.2765871             -2.75408115E-01   
 21      2.8150788             -1.26500504E-01   
 22      1.5026560              2.38775926E-01   
 23      0.80231679             3.46364956E-01   
 24      0.42843613             1.79990056E-01   
 25      0.22879584            -2.69001726E-02   
 26      0.12218490            -4.25163684E-01   
 27      0.65251259E-01        -3.96349236E-01   
 28      0.34846613E-01        -3.63685947E-01   
P   21
  1 406753.5500000              7.78717572E-06   
  2 138201.1600000              3.69614533E-05   
  3  51463.8230000              1.99875392E-04   
  4  20733.4110000              8.86414264E-04   
  5   8922.7141000              3.52024296E-03   
  6   4053.0081000              1.24299897E-02   
  7   1922.1628000              3.88590227E-02   
  8    942.7584800              1.04819393E-01   
  9    474.3600500              2.27264812E-01   
 10    243.2441900              3.52784246E-01   
 11    126.4500400              3.11187027E-01   
 12     66.3699520              1.12435182E-01   
 13     35.0649750              9.51498188E-03   
 14     18.6061970              4.65321853E-04   
 15      9.9001060             -3.25786187E-04   
 16      5.2765871              1.03689651E-04   
 17      2.8150788             -9.15930548E-05   
 18      1.5026560              5.95701946E-05   
 19      0.80231679            -3.04018140E-05   
 20      0.42843613             1.47541327E-05   
 21      0.22879584            -3.62796480E-06   
P   21
  1 406753.5500000             -3.91358009E-06   
  2 138201.1600000             -1.85088419E-05   
  3  51463.8230000             -1.00566542E-04   
  4  20733.4110000             -4.45597345E-04   
  5   8922.7141000             -1.78255291E-03   
  6   4053.0081000             -6.34270104E-03   
  7   1922.1628000             -2.02590315E-02   
  8    942.7584800             -5.65690632E-02   
  9    474.3600500             -1.30077356E-01   
 10    243.2441900             -2.16127016E-01   
 11    126.4500400             -1.62439496E-01   
 12     66.3699520              2.05682857E-01   
 13     35.0649750              5.62608263E-01   
 14     18.6061970              3.37236065E-01   
 15      9.9001060              5.12195309E-02   
 16      5.2765871              4.51417377E-03   
 17      2.8150788             -1.10043214E-03   
 18      1.5026560              7.91739039E-04   
 19      0.80231679            -5.24809482E-04   
 20      0.42843613             2.21427729E-04   
 21      0.22879584            -6.20022298E-05   
P   21
  1 406753.5500000              1.91540221E-06   
  2 138201.1600000              9.09228957E-06   
  3  51463.8230000              4.92402477E-05   
  4  20733.4110000              2.18896739E-04   
  5   8922.7141000              8.74605778E-04   
  6   4053.0081000              3.12534509E-03   
  7   1922.1628000              1.00112886E-02   
  8    942.7584800              2.82416359E-02   
  9    474.3600500              6.57492115E-02   
 10    243.2441900              1.11633694E-01   
 11    126.4500400              7.83993570E-02   
 12     66.3699520             -1.61687975E-01   
 13     35.0649750             -4.65793620E-01   
 14     18.6061970             -1.72439066E-01   
 15      9.9001060              4.92607333E-01   
 16      5.2765871              5.71007873E-01   
 17      2.8150788              1.67341570E-01   
 18      1.5026560              1.22945205E-02   
 19      0.80231679             1.13247075E-03   
 20      0.42843613             1.47879712E-04   
 21      0.22879584            -1.93371369E-05   
P   21
  1 406753.5500000              7.46662952E-07   
  2 138201.1600000              3.55613960E-06   
  3  51463.8230000              1.91981798E-05   
  4  20733.4110000              8.55718966E-05   
  5   8922.7141000              3.41264162E-04   
  6   4053.0081000              1.22227917E-03   
  7   1922.1628000              3.91305333E-03   
  8    942.7584800              1.10751743E-02   
  9    474.3600500              2.58263506E-02   
 10    243.2441900              4.41177101E-02   
 11    126.4500400              3.03928662E-02   
 12     66.3699520             -6.91964005E-02   
 13     35.0649750             -2.04306661E-01   
 14     18.6061970             -5.79765942E-02   
 15      9.9001060              2.88528860E-01   
 16      5.2765871              4.06572293E-01   
 17      2.8150788             -3.54458799E-02   
 18      1.5026560             -4.91869230E-01   
 19      0.80231679            -4.67306158E-01   
 20      0.42843613            -1.73349053E-01   
 21      0.22879584            -3.34573873E-02   
D   18
  1   8922.7141000              8.81841133E-05   
  2   4053.0081000              3.34395277E-04   
  3   1922.1628000              1.74292845E-03   
  4    942.7584800              7.39172779E-03   
  5    474.3600500              2.75007035E-02   
  6    243.2441900              8.57094251E-02   
  7    126.4500400              2.06599616E-01   
  8     66.3699520              3.49779289E-01   
  9     35.0649750              3.49183412E-01   
 10     18.6061970              1.55800956E-01   
 11      9.9001060              2.56282826E-02   
 12      5.2765871              1.55260382E-03   
 13      2.8150788              2.78751899E-04   
 14      1.5026560             -3.79223738E-05   
 15      0.80231679             2.60380240E-05   
 16      0.42843613            -2.46994064E-05   
 17      0.22879584             6.59756092E-06   
 18      0.12218490            -3.64533828E-06   
D   18
  1   8922.7141000             -4.44666234E-05   
  2   4053.0081000             -1.71910105E-04   
  3   1922.1628000             -8.84288493E-04   
  4    942.7584800             -3.81343639E-03   
  5    474.3600500             -1.42184746E-02   
  6    243.2441900             -4.53414728E-02   
  7    126.4500400             -1.10867647E-01   
  8     66.3699520             -1.85425807E-01   
  9     35.0649750             -1.35696782E-01   
 10     18.6061970              1.60489766E-01   
 11      9.9001060              4.35391714E-01   
 12      5.2765871              3.94149449E-01   
 13      2.8150788              1.45093324E-01   
 14      1.5026560              2.10259523E-02   
 15      0.80231679             1.27191870E-03   
 16      0.42843613             4.94514108E-04   
 17      0.22879584            -1.13875787E-05   
 18      0.12218490             6.91100662E-05   
D   18
  1   8922.7141000              1.33931742E-05   
  2   4053.0081000              5.23936747E-05   
  3   1922.1628000              2.66825037E-04   
  4    942.7584800              1.15986601E-03   
  5    474.3600500              4.31129767E-03   
  6    243.2441900              1.38398098E-02   
  7    126.4500400              3.38436388E-02   
  8     66.3699520              5.66765601E-02   
  9     35.0649750              3.76829058E-02   
 10     18.6061970             -6.68230332E-02   
 11      9.9001060             -1.63115175E-01   
 12      5.2765871             -1.37686669E-01   
 13      2.8150788              7.29492975E-02   
 14      1.5026560              2.97326826E-01   
 15      0.80231679             3.56657593E-01   
 16      0.42843613             2.92060679E-01   
 17      0.22879584             1.44566627E-01   
 18      0.12218490             6.06908947E-02   
F   12
  1    942.7584800              1.84878615E-04   
  2    474.3600500              7.62365431E-04   
  3    243.2441900              3.89455753E-03   
  4    126.4500400              1.63559651E-02   
  5     66.3699520              5.34283392E-02   
  6     35.0649750              1.37098219E-01   
  7     18.6061970              2.51896910E-01   
  8      9.9001060              3.20289633E-01   
  9      5.2765871              2.91535127E-01   
 10      2.8150788              1.78548318E-01   
 11      1.5026560              6.65558951E-02   
 12      0.80231679             1.79704250E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Au
data:
GOLD
S   28
  1 103551660.0000000           2.27539465E-06   
  2 21175219.0000000            1.26496489E-05   
  3 5001590.6000000             7.17414541E-05   
  4 1350617.9000000             3.32165108E-04   
  5 412024.2900000              1.32745187E-03   
  6 140132.8500000              4.61440787E-03   
  7  52396.3380000              1.41708258E-02   
  8  21234.2880000              3.86461078E-02   
  9   9199.4532000              9.28268417E-02   
 10   4206.2952000              1.89468269E-01   
 11   2006.6241000              3.02629854E-01   
 12    988.9349200              3.18433197E-01   
 13    499.3845400              1.61455484E-01   
 14    256.6822700              2.21215938E-02   
 15    133.6009200              1.18749788E-03   
 16     70.1422110             -6.33438681E-04   
 17     37.0389810              4.54491384E-04   
 18     19.6317620             -4.00820030E-04   
 19     10.4295780              3.03781716E-04   
 20      5.5484649             -2.17999527E-04   
 21      2.9540414              1.60645984E-04   
 22      1.5733993             -1.15414938E-04   
 23      0.83820185             8.04860258E-05   
 24      0.44657751            -5.43274703E-05   
 25      0.23793590             3.41387056E-05   
 26      0.12677333            -1.87956532E-05   
 27      0.67545585E-01         7.95544120E-06   
 28      0.35988705E-01        -1.87913197E-06   
S   28
  1 103551660.0000000           7.57710035E-07   
  2 21175219.0000000            4.21166173E-06   
  3 5001590.6000000             2.38944757E-05   
  4 1350617.9000000             1.10647406E-04   
  5 412024.2900000              4.42878229E-04   
  6 140132.8500000              1.54433675E-03   
  7  52396.3380000              4.78706582E-03   
  8  21234.2880000              1.33201264E-02   
  9   9199.4532000              3.34895832E-02   
 10   4206.2952000              7.48603798E-02   
 11   2006.6241000              1.43035357E-01   
 12    988.9349200              2.03799000E-01   
 13    499.3845400              1.28855123E-01   
 14    256.6822700             -2.37404521E-01   
 15    133.6009200             -5.81277027E-01   
 16     70.1422110             -3.45031568E-01   
 17     37.0389810             -3.95777917E-02   
 18     19.6317620             -2.87123766E-03   
 19     10.4295780              1.91163747E-03   
 20      5.5484649             -1.18469403E-03   
 21      2.9540414              9.42586809E-04   
 22      1.5733993             -6.88999860E-04   
 23      0.83820185             4.74733665E-04   
 24      0.44657751            -3.23868593E-04   
 25      0.23793590             2.03648285E-04   
 26      0.12677333            -1.12314834E-04   
 27      0.67545585E-01         4.75836448E-05   
 28      0.35988705E-01        -1.12466325E-05   
S   28
  1 103551660.0000000           3.59232844E-07   
  2 21175219.0000000            1.99633936E-06   
  3 5001590.6000000             1.13292700E-05   
  4 1350617.9000000             5.24497248E-05   
  5 412024.2900000              2.10048778E-04   
  6 140132.8500000              7.32539915E-04   
  7  52396.3380000              2.27495854E-03   
  8  21234.2880000              6.34622742E-03   
  9   9199.4532000              1.60807643E-02   
 10   4206.2952000              3.64292957E-02   
 11   2006.6241000              7.17658381E-02   
 12    988.9349200              1.07707058E-01   
 13    499.3845400              7.51171113E-02   
 14    256.6822700             -1.73497595E-01   
 15    133.6009200             -5.79880623E-01   
 16     70.1422110             -4.36028866E-01   
 17     37.0389810              6.04186095E-01   
 18     19.6317620              7.41880026E-01   
 19     10.4295780              1.28911349E-01   
 20      5.5484649              1.85890825E-02   
 21      2.9540414             -9.00812494E-03   
 22      1.5733993              6.89258090E-03   
 23      0.83820185            -5.18656225E-03   
 24      0.44657751             3.51730058E-03   
 25      0.23793590            -2.25238223E-03   
 26      0.12677333             1.25060129E-03   
 27      0.67545585E-01        -5.32328965E-04   
 28      0.35988705E-01         1.26163154E-04   
S   28
  1 103551660.0000000           1.78454506E-07   
  2 21175219.0000000            9.91041961E-07   
  3 5001590.6000000             5.62891219E-06   
  4 1350617.9000000             2.60355939E-05   
  5 412024.2900000              1.04384186E-04   
  6 140132.8500000              3.63612072E-04   
  7  52396.3380000              1.13140912E-03   
  8  21234.2880000              3.15222387E-03   
  9   9199.4532000              8.02171142E-03   
 10   4206.2952000              1.81739406E-02   
 11   2006.6241000              3.62275201E-02   
 12    988.9349200              5.46838780E-02   
 13    499.3845400              3.99686069E-02   
 14    256.6822700             -9.72264077E-02   
 15    133.6009200             -3.42689802E-01   
 16     70.1422110             -3.04379201E-01   
 17     37.0389810              5.92492358E-01   
 18     19.6317620              1.00479768E+00   
 19     10.4295780             -2.47498480E-01   
 20      5.5484649             -9.65695585E-01   
 21      2.9540414             -3.30163320E-01   
 22      1.5733993             -8.51315548E-03   
 23      0.83820185            -8.37024125E-03   
 24      0.44657751             3.78099042E-03   
 25      0.23793590            -2.56366105E-03   
 26      0.12677333             1.38053427E-03   
 27      0.67545585E-01        -5.86315294E-04   
 28      0.35988705E-01         1.38893995E-04   
S   28
  1 103551660.0000000          -7.56266228E-08   
  2 21175219.0000000           -4.19707253E-07   
  3 5001590.6000000            -2.38583609E-06   
  4 1350617.9000000            -1.10250952E-05   
  5 412024.2900000             -4.42508973E-05   
  6 140132.8500000             -1.53949323E-04   
  7  52396.3380000             -4.79827903E-04   
  8  21234.2880000             -1.33440469E-03   
  9   9199.4532000             -3.40588146E-03   
 10   4206.2952000             -7.69665293E-03   
 11   2006.6241000             -1.54396065E-02   
 12    988.9349200             -2.32059698E-02   
 13    499.3845400             -1.74188637E-02   
 14    256.6822700              4.28677880E-02   
 15    133.6009200              1.50195056E-01   
 16     70.1422110              1.43131966E-01   
 17     37.0389810             -3.02035447E-01   
 18     19.6317620             -5.25551011E-01   
 19     10.4295780              1.45614842E-01   
 20      5.5484649              9.28094087E-01   
 21      2.9540414              4.42747884E-01   
 22      1.5733993             -6.65370755E-01   
 23      0.83820185            -6.77968883E-01   
 24      0.44657751            -2.15642572E-01   
 25      0.23793590            -2.02943919E-03   
 26      0.12677333            -7.30554390E-03   
 27      0.67545585E-01         2.97932732E-03   
 28      0.35988705E-01        -7.26008350E-04   
S   28
  1 103551660.0000000           1.95189490E-08   
  2 21175219.0000000            1.08294137E-07   
  3 5001590.6000000             6.15816311E-07   
  4 1350617.9000000             2.84461603E-06   
  5 412024.2900000              1.14224963E-05   
  6 140132.8500000              3.97175754E-05   
  7  52396.3380000              1.23876086E-04   
  8  21234.2880000              3.44218896E-04   
  9   9199.4532000              8.79581263E-04   
 10   4206.2952000              1.98513670E-03   
 11   2006.6241000              3.99108791E-03   
 12    988.9349200              5.98315548E-03   
 13    499.3845400              4.53372496E-03   
 14    256.6822700             -1.11765868E-02   
 15    133.6009200             -3.88879937E-02   
 16     70.1422110             -3.77727739E-02   
 17     37.0389810              8.07715727E-02   
 18     19.6317620              1.39566998E-01   
 19     10.4295780             -3.68868782E-02   
 20      5.5484649             -2.82728503E-01   
 21      2.9540414             -1.29376338E-01   
 22      1.5733993              2.47302518E-01   
 23      0.83820185             3.43263094E-01   
 24      0.44657751             1.73294333E-01   
 25      0.23793590            -3.15570706E-02   
 26      0.12677333            -4.22872510E-01   
 27      0.67545585E-01        -3.92755275E-01   
 28      0.35988705E-01        -3.63799889E-01   
P   21
  1 412024.2900000              7.97388443E-06   
  2 140132.8500000              3.76532655E-05   
  3  52396.3380000              2.01678502E-04   
  4  21234.2880000              8.83448999E-04   
  5   9199.4532000              3.46536673E-03   
  6   4206.2952000              1.21115847E-02   
  7   2006.6241000              3.75968931E-02   
  8    988.9349200              1.01279536E-01   
  9    499.3845400              2.20879934E-01   
 10    256.6822700              3.48638900E-01   
 11    133.6009200              3.17337949E-01   
 12     70.1422110              1.20394338E-01   
 13     37.0389810              1.09101807E-02   
 14     19.6317620              5.52966842E-04   
 15     10.4295780             -3.82766283E-04   
 16      5.5484649              1.45454873E-04   
 17      2.9540414             -1.22110323E-04   
 18      1.5733993              8.05422170E-05   
 19      0.83820185            -4.21145976E-05   
 20      0.44657751             2.02677227E-05   
 21      0.23793590            -5.06840249E-06   
P   21
  1 412024.2900000             -4.01324821E-06   
  2 140132.8500000             -1.88972582E-05   
  3  52396.3380000             -1.01628279E-04   
  4  21234.2880000             -4.45021912E-04   
  5   9199.4532000             -1.75757626E-03   
  6   4206.2952000             -6.19146938E-03   
  7   2006.6241000             -1.96232091E-02   
  8    988.9349200             -5.46971561E-02   
  9    499.3845400             -1.26352160E-01   
 10    256.6822700             -2.13649743E-01   
 11    133.6009200             -1.70738647E-01   
 12     70.1422110              1.85995185E-01   
 13     37.0389810              5.60238820E-01   
 14     19.6317620              3.52971938E-01   
 15     10.4295780              5.56935658E-02   
 16      5.5484649              4.99717122E-03   
 17      2.9540414             -1.33427717E-03   
 18      1.5733993              9.40434052E-04   
 19      0.83820185            -6.23988794E-04   
 20      0.44657751             2.65693004E-04   
 21      0.23793590            -7.43989258E-05   
P   21
  1 412024.2900000              1.97185564E-06   
  2 140132.8500000              9.32871558E-06   
  3  52396.3380000              4.99542428E-05   
  4  21234.2880000              2.19654301E-04   
  5   9199.4532000              8.65811322E-04   
  6   4206.2952000              3.06498449E-03   
  7   2006.6241000              9.73580473E-03   
  8    988.9349200              2.74268931E-02   
  9    499.3845400              6.40990701E-02   
 10    256.6822700              1.10838903E-01   
 11    133.6009200              8.37113559E-02   
 12     70.1422110             -1.48670870E-01   
 13     37.0389810             -4.64996484E-01   
 14     19.6317620             -1.97026613E-01   
 15     10.4295780              4.83321914E-01   
 16      5.5484649              5.83314676E-01   
 17      2.9540414              1.71695531E-01   
 18      1.5733993              1.23812414E-02   
 19      0.83820185             1.21675868E-03   
 20      0.44657751             1.42677600E-04   
 21      0.23793590            -1.07766665E-05   
P   21
  1 412024.2900000              7.79053158E-07   
  2 140132.8500000              3.70106132E-06   
  3  52396.3380000              1.97394960E-05   
  4  21234.2880000              8.70910146E-05   
  5   9199.4532000              3.42427543E-04   
  6   4206.2952000              1.21565255E-03   
  7   2006.6241000              3.85737540E-03   
  8    988.9349200              1.09074222E-02   
  9    499.3845400              2.55220396E-02   
 10    256.6822700              4.44278975E-02   
 11    133.6009200              3.29800076E-02   
 12     70.1422110             -6.46192941E-02   
 13     37.0389810             -2.07076680E-01   
 14     19.6317620             -7.08983797E-02   
 15     10.4295780              2.88498202E-01   
 16      5.5484649              4.23209225E-01   
 17      2.9540414             -3.71984602E-02   
 18      1.5733993             -5.04695128E-01   
 19      0.83820185            -4.64379023E-01   
 20      0.44657751            -1.67478011E-01   
 21      0.23793590            -3.06446258E-02   
D   18
  1   9199.4532000              8.76905754E-05   
  2   4206.2952000              3.23693700E-04   
  3   2006.6241000              1.67915064E-03   
  4    988.9349200              7.06058204E-03   
  5    499.3845400              2.62657123E-02   
  6    256.6822700              8.22630536E-02   
  7    133.6009200              2.00737337E-01   
  8     70.1422110              3.46041276E-01   
  9     37.0389810              3.54240005E-01   
 10     19.6317620              1.63042941E-01   
 11     10.4295780              2.74116899E-02   
 12      5.5484649              1.72164482E-03   
 13      2.9540414              2.07864485E-04   
 14      1.5733993              2.20550737E-06   
 15      0.83820185            -1.02030842E-05   
 16      0.44657751            -8.43411698E-06   
 17      0.23793590            -3.88856144E-06   
 18      0.12677333            -1.41532769E-06   
D   18
  1   9199.4532000             -4.45465377E-05   
  2   4206.2952000             -1.67476992E-04   
  3   2006.6241000             -8.58004906E-04   
  4    988.9349200             -3.66644731E-03   
  5    499.3845400             -1.36723291E-02   
  6    256.6822700             -4.37858743E-02   
  7    133.6009200             -1.08487689E-01   
  8     70.1422110             -1.85167322E-01   
  9     37.0389810             -1.42909456E-01   
 10     19.6317620              1.50776719E-01   
 11     10.4295780              4.36656100E-01   
 12      5.5484649              4.00511245E-01   
 13      2.9540414              1.45695620E-01   
 14      1.5733993              2.05380503E-02   
 15      0.83820185             1.38196992E-03   
 16      0.44657751             6.12030555E-04   
 17      0.23793590             5.31822836E-05   
 18      0.12677333             8.90569392E-05   
D   18
  1   9199.4532000              1.38140033E-05   
  2   4206.2952000              5.25490862E-05   
  3   2006.6241000              2.66519290E-04   
  4    988.9349200              1.14805724E-03   
  5    499.3845400              4.26800600E-03   
  6    256.6822700              1.37590863E-02   
  7    133.6009200              3.41019710E-02   
  8     70.1422110              5.82972875E-02   
  9     37.0389810              4.12536670E-02   
 10     19.6317620             -6.58102268E-02   
 11     10.4295780             -1.69457499E-01   
 12      5.5484649             -1.45007907E-01   
 13      2.9540414              8.03205676E-02   
 14      1.5733993              3.10091877E-01   
 15      0.83820185             3.60307348E-01   
 16      0.44657751             2.84206868E-01   
 17      0.23793590             1.36965088E-01   
 18      0.12677333             5.32472216E-02   
F   12
  1    988.9349200              1.79665420E-04   
  2    499.3845400              7.34863870E-04   
  3    256.6822700              3.75826700E-03   
  4    133.6009200              1.58853555E-02   
  5     70.1422110              5.24984715E-02   
  6     37.0389810              1.36310041E-01   
  7     19.6317620              2.53422985E-01   
  8     10.4295780              3.24464138E-01   
  9      5.5484649              2.93879423E-01   
 10      2.9540414              1.74414191E-01   
 11      1.5733993              6.18198480E-02   
 12      0.83820185             1.52639836E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Hg
data:
MERCURY
S   29
  1 96293620.0000000            2.57855259E-06   
  2 19555636.0000000            1.44726738E-05   
  3 4607673.0000000             8.20525995E-05   
  4 1245720.3000000             3.78382538E-04   
  5 381541.5300000              1.50071886E-03   
  6 130537.1300000              5.16432204E-03   
  7  49154.8270000              1.56716338E-02   
  8  20071.1270000              4.21528729E-02   
  9   8760.5591000              9.95980291E-02   
 10   4033.8159000              1.99013254E-01   
 11   1936.6618000              3.08481558E-01   
 12    959.8958000              3.09980224E-01   
 13    487.1595800              1.46386430E-01   
 14    251.5140500              1.77701531E-02   
 15    131.4338200              1.08394461E-03   
 16     69.2566110             -6.26123147E-04   
 17     36.6964560              4.29733846E-04   
 18     19.5139200             -3.72286142E-04   
 19     10.4000870              2.82129278E-04   
 20      5.5502436             -2.02146119E-04   
 21      2.9642867              1.49485057E-04   
 22      1.5838295             -1.08516717E-04   
 23      0.84642317             7.71156078E-05   
 24      0.45238567            -5.39435589E-05   
 25      0.24179521             3.62814727E-05   
 26      0.12923879            -2.27693136E-05   
 27      0.69078028E-01         1.25078835E-05   
 28      0.36922185E-01        -5.27830816E-06   
 29      0.19734899E-01         1.24215421E-06   
S   29
  1 96293620.0000000            8.59206270E-07   
  2 19555636.0000000            4.82180098E-06   
  3 4607673.0000000             2.73463918E-05   
  4 1245720.3000000             1.26133214E-04   
  5 381541.5300000              5.01097018E-04   
  6 130537.1300000              1.73044632E-03   
  7  49154.8270000              5.30438029E-03   
  8  20071.1270000              1.45814898E-02   
  9   8760.5591000              3.61740625E-02   
 10   4033.8159000              7.96073468E-02   
 11   1936.6618000              1.48933705E-01   
 12    959.8958000              2.04423929E-01   
 13    487.1595800              1.11766600E-01   
 14    251.5140500             -2.69817478E-01   
 15    131.4338200             -5.82150020E-01   
 16     69.2566110             -3.17779205E-01   
 17     36.6964560             -3.23526735E-02   
 18     19.5139200             -2.60155606E-03   
 19     10.4000870              1.76970285E-03   
 20      5.5502436             -1.05394418E-03   
 21      2.9642867              8.29633826E-04   
 22      1.5838295             -6.11334893E-04   
 23      0.84642317             4.27012171E-04   
 24      0.45238567            -3.01471342E-04   
 25      0.24179521             2.02751860E-04   
 26      0.12923879            -1.27415544E-04   
 27      0.69078028E-01         7.00499623E-05   
 28      0.36922185E-01        -2.95762871E-05   
 29      0.19734899E-01         6.96224604E-06   
S   29
  1 96293620.0000000            4.07904885E-07   
  2 19555636.0000000            2.28890120E-06   
  3 4607673.0000000             1.29832355E-05   
  4 1245720.3000000             5.98795569E-05   
  5 381541.5300000              2.37978823E-04   
  6 130537.1300000              8.22131302E-04   
  7  49154.8270000              2.52450817E-03   
  8  20071.1270000              6.96140923E-03   
  9   8760.5591000              1.74071707E-02   
 10   4033.8159000              3.88794081E-02   
 11   1936.6618000              7.50681509E-02   
 12    959.8958000              1.08921280E-01   
 13    487.1595800              6.56168038E-02   
 14    251.5140500             -2.00532285E-01   
 15    131.4338200             -5.98048322E-01   
 16     69.2566110             -3.87240554E-01   
 17     36.6964560              6.55976369E-01   
 18     19.5139200              7.04551931E-01   
 19     10.4000870              1.12473663E-01   
 20      5.5502436              1.63701200E-02   
 21      2.9642867             -8.16947885E-03   
 22      1.5838295              6.19438527E-03   
 23      0.84642317            -4.75214704E-03   
 24      0.45238567             3.33270726E-03   
 25      0.24179521            -2.28177990E-03   
 26      0.12923879             1.44391553E-03   
 27      0.69078028E-01        -7.97740365E-04   
 28      0.36922185E-01         3.37840638E-04   
 29      0.19734899E-01        -7.96748257E-05   
S   29
  1 96293620.0000000           -2.03342085E-07   
  2 19555636.0000000           -1.14038834E-06   
  3 4607673.0000000            -6.47309035E-06   
  4 1245720.3000000            -2.98315919E-05   
  5 381541.5300000             -1.18673802E-04   
  6 130537.1300000             -4.09581112E-04   
  7  49154.8270000             -1.25988449E-03   
  8  20071.1270000             -3.47097070E-03   
  9   8760.5591000             -8.71479320E-03   
 10   4033.8159000             -1.94788765E-02   
 11   1936.6618000             -3.80537849E-02   
 12    959.8958000             -5.56062621E-02   
 13    487.1595800             -3.51810242E-02   
 14    251.5140500              1.13010231E-01   
 15    131.4338200              3.57761671E-01   
 16     69.2566110              2.74530035E-01   
 17     36.6964560             -6.58869813E-01   
 18     19.5139200             -9.71765022E-01   
 19     10.4000870              3.25562434E-01   
 20      5.5502436              9.60413128E-01   
 21      2.9642867              2.89323694E-01   
 22      1.5838295              9.94349890E-03   
 23      0.84642317             5.09550318E-03   
 24      0.45238567            -1.65255934E-03   
 25      0.24179521             1.24607258E-03   
 26      0.12923879            -7.28402783E-04   
 27      0.69078028E-01         3.94875069E-04   
 28      0.36922185E-01        -1.65557414E-04   
 29      0.19734899E-01         3.88704977E-05   
S   29
  1 96293620.0000000           -8.70379119E-08   
  2 19555636.0000000           -4.87868677E-07   
  3 4607673.0000000            -2.77107571E-06   
  4 1245720.3000000            -1.27612575E-05   
  5 381541.5300000             -5.08105438E-05   
  6 130537.1300000             -1.75185216E-04   
  7  49154.8270000             -5.39627910E-04   
  8  20071.1270000             -1.48448706E-03   
  9   8760.5591000             -3.73685635E-03   
 10   4033.8159000             -8.33608578E-03   
 11   1936.6618000             -1.63793665E-02   
 12    959.8958000             -2.38597329E-02   
 13    487.1595800             -1.55026806E-02   
 14    251.5140500              5.02220165E-02   
 15    131.4338200              1.59003333E-01   
 16     69.2566110              1.30891493E-01   
 17     36.6964560             -3.40095700E-01   
 18     19.5139200             -5.17079838E-01   
 19     10.4000870              1.99231706E-01   
 20      5.5502436              9.73223477E-01   
 21      2.9642867              3.62668534E-01   
 22      1.5838295             -7.10455627E-01   
 23      0.84642317            -6.49050045E-01   
 24      0.45238567            -1.91121327E-01   
 25      0.24179521             2.51296011E-04   
 26      0.12923879            -8.01521962E-03   
 27      0.69078028E-01         4.30429084E-03   
 28      0.36922185E-01        -1.87098138E-03   
 29      0.19734899E-01         4.50059972E-04   
S   29
  1 96293620.0000000           -2.22422106E-08   
  2 19555636.0000000           -1.24658653E-07   
  3 4607673.0000000            -7.08157498E-07   
  4 1245720.3000000            -3.26066131E-06   
  5 381541.5300000             -1.29851938E-05   
  6 130537.1300000             -4.47605926E-05   
  7  49154.8270000             -1.37918371E-04   
  8  20071.1270000             -3.79281744E-04   
  9   8760.5591000             -9.55269688E-04   
 10   4033.8159000             -2.12999879E-03   
 11   1936.6618000             -4.19003026E-03   
 12    959.8958000             -6.09852029E-03   
 13    487.1595800             -3.98378669E-03   
 14    251.5140500              1.29216094E-02   
 15    131.4338200              4.08769011E-02   
 16     69.2566110              3.40869005E-02   
 17     36.6964560             -8.97434613E-02   
 18     19.5139200             -1.36943621E-01   
 19     10.4000870              5.27237683E-02   
 20      5.5502436              2.93886642E-01   
 21      2.9642867              1.04856421E-01   
 22      1.5838295             -2.72749121E-01   
 23      0.84642317            -3.17839638E-01   
 24      0.45238567            -1.83783621E-01   
 25      0.24179521             9.17936646E-02   
 26      0.12923879             3.45258336E-01   
 27      0.69078028E-01         4.83350942E-01   
 28      0.36922185E-01         2.72892746E-01   
 29      0.19734899E-01         3.83277672E-02   
P   21
  1 381541.5300000              9.53372056E-06   
  2 130537.1300000              4.42039214E-05   
  3  49154.8270000              2.34150824E-04   
  4  20071.1270000              1.00899829E-03   
  5   8760.5591000              3.90091340E-03   
  6   4033.8159000              1.34163369E-02   
  7   1936.6618000              4.09910803E-02   
  8    959.8958000              1.08307375E-01   
  9    487.1595800              2.30691016E-01   
 10    251.5140500              3.52220724E-01   
 11    131.4338200              3.05582974E-01   
 12     69.2566110              1.08407586E-01   
 13     36.6964560              8.85748399E-03   
 14     19.5139200              4.52300744E-04   
 15     10.4000870             -3.34310920E-04   
 16      5.5502436              1.10327243E-04   
 17      2.9642867             -9.20012192E-05   
 18      1.5838295              6.19359944E-05   
 19      0.84642317            -3.09418142E-05   
 20      0.45238567             1.51952378E-05   
 21      0.24179521            -3.71404130E-06   
P   21
  1 381541.5300000             -4.81038380E-06   
  2 130537.1300000             -2.22043039E-05   
  3  49154.8270000             -1.18304981E-04   
  4  20071.1270000             -5.08988503E-04   
  5   8760.5591000             -1.98439423E-03   
  6   4033.8159000             -6.87586779E-03   
  7   1936.6618000             -2.14936211E-02   
  8    959.8958000             -5.87970639E-02   
  9    487.1595800             -1.32989764E-01   
 10    251.5140500             -2.16945392E-01   
 11    131.4338200             -1.57152874E-01   
 12     69.2566110              2.16778131E-01   
 13     36.6964560              5.63954511E-01   
 14     19.5139200              3.28588472E-01   
 15     10.4000870              4.88715132E-02   
 16      5.5502436              3.89962949E-03   
 17      2.9642867             -9.21272894E-04   
 18      1.5838295              6.09955911E-04   
 19      0.84642317            -4.31529251E-04   
 20      0.45238567             1.74913392E-04   
 21      0.24179521            -4.99681774E-05   
P   21
  1 381541.5300000              2.37760865E-06   
  2 130537.1300000              1.09864369E-05   
  3  49154.8270000              5.84942100E-05   
  4  20071.1270000              2.51995606E-04   
  5   8760.5591000              9.82977612E-04   
  6   4033.8159000              3.41622527E-03   
  7   1936.6618000              1.07251576E-02   
  8    959.8958000              2.96150088E-02   
  9    487.1595800              6.79212943E-02   
 10    251.5140500              1.13048727E-01   
 11    131.4338200              7.60759104E-02   
 12     69.2566110             -1.72405490E-01   
 13     36.6964560             -4.72769969E-01   
 14     19.5139200             -1.59297314E-01   
 15     10.4000870              5.12786277E-01   
 16      5.5502436              5.66926482E-01   
 17      2.9642867              1.50135905E-01   
 18      1.5838295              1.17361120E-02   
 19      0.84642317             2.57774118E-04   
 20      0.45238567             5.62835847E-04   
 21      0.24179521            -1.23714429E-04   
P   21
  1 381541.5300000              9.52830730E-07   
  2 130537.1300000              4.40491808E-06   
  3  49154.8270000              2.34435097E-05   
  4  20071.1270000              1.01044698E-04   
  5   8760.5591000              3.94135100E-04   
  6   4033.8159000              1.37087019E-03   
  7   1936.6618000              4.30744867E-03   
  8    959.8958000              1.19198945E-02   
  9    487.1595800              2.74215729E-02   
 10    251.5140500              4.58503450E-02   
 11    131.4338200              3.03114686E-02   
 12     69.2566110             -7.62016351E-02   
 13     36.6964560             -2.13205300E-01   
 14     19.5139200             -5.31850858E-02   
 15     10.4000870              3.14057732E-01   
 16      5.5502436              4.22649595E-01   
 17      2.9642867             -8.47702167E-02   
 18      1.5838295             -5.21453417E-01   
 19      0.84642317            -4.45172176E-01   
 20      0.45238567            -1.49807246E-01   
 21      0.24179521            -2.61518881E-02   
D   19
  1  20071.1270000              1.69660633E-05   
  2   8760.5591000              7.15155337E-05   
  3   4033.8159000              4.14271925E-04   
  4   1936.6618000              1.86173875E-03   
  5    959.8958000              7.94087891E-03   
  6    487.1595800              2.87523814E-02   
  7    251.5140500              8.85042132E-02   
  8    131.4338200              2.10388711E-01   
  9     69.2566110              3.52094121E-01   
 10     36.6964560              3.44917389E-01   
 11     19.5139200              1.50155888E-01   
 12     10.4000870              2.39541554E-02   
 13      5.5502436              1.30293858E-03   
 14      2.9642867              2.80280058E-04   
 15      1.5838295             -6.97013386E-05   
 16      0.84642317             4.92325045E-05   
 17      0.45238567            -3.05132024E-05   
 18      0.24179521             1.43096195E-05   
 19      0.12923879            -4.11344214E-06   
D   19
  1  20071.1270000             -8.89734806E-06   
  2   8760.5591000             -3.60828721E-05   
  3   4033.8159000             -2.16600833E-04   
  4   1936.6618000             -9.56342680E-04   
  5    959.8958000             -4.16147993E-03   
  6    487.1595800             -1.50780447E-02   
  7    251.5140500             -4.75738773E-02   
  8    131.4338200             -1.14558426E-01   
  9     69.2566110             -1.89299538E-01   
 10     36.6964560             -1.31304228E-01   
 11     19.5139200              1.73861721E-01   
 12     10.4000870              4.46968692E-01   
 13      5.5502436              3.87096331E-01   
 14      2.9642867              1.29440721E-01   
 15      1.5838295              1.72554156E-02   
 16      0.84642317             3.71840464E-04   
 17      0.45238567             5.16949874E-04   
 18      0.24179521            -2.17829301E-04   
 19      0.12923879             6.50710564E-05   
D   19
  1  20071.1270000              2.86875784E-06   
  2   8760.5591000              1.12975148E-05   
  3   4033.8159000              6.95905383E-05   
  4   1936.6618000              3.02709674E-04   
  5    959.8958000              1.33223572E-03   
  6    487.1595800              4.80333588E-03   
  7    251.5140500              1.52817051E-02   
  8    131.4338200              3.67601659E-02   
  9     69.2566110              6.08877855E-02   
 10     36.6964560              3.75229907E-02   
 11     19.5139200             -7.61502854E-02   
 12     10.4000870             -1.78490725E-01   
 13      5.5502436             -1.39270302E-01   
 14      2.9642867              1.07222165E-01   
 15      1.5838295              3.26994971E-01   
 16      0.84642317             3.58882295E-01   
 17      0.45238567             2.68293847E-01   
 18      0.24179521             1.24206834E-01   
 19      0.12923879             4.36812143E-02   
F   13
  1   1936.6618000              3.56791119E-05   
  2    959.8958000              1.46966278E-04   
  3    487.1595800              9.30093424E-04   
  4    251.5140500              4.20692308E-03   
  5    131.4338200              1.78309222E-02   
  6     69.2566110              5.73003881E-02   
  7     36.6964560              1.45812723E-01   
  8     19.5139200              2.62819476E-01   
  9     10.4000870              3.27881642E-01   
 10      5.5502436              2.86337995E-01   
 11      2.9642867              1.59657359E-01   
 12      1.5838295              5.26540240E-02   
 13      0.84642317             1.17324360E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Tl
data:
THALLIUM
S   28
  1      0.10945911E+09         2.26158117E-06   
  2 22248380.0000000            1.27551529E-05   
  3 5181281.8000000             7.40081108E-05   
  4 1370380.7000000             3.53851151E-04   
  5 407442.8400000              1.46778115E-03   
  6 134635.4900000              5.30864235E-03   
  7  48844.3240000              1.69365833E-02   
  8  19211.8640000              4.76211155E-02   
  9   8091.3614000              1.15978741E-01   
 10   3605.9814000              2.31890148E-01   
 11   1682.0961000              3.39537774E-01   
 12    813.4231400              2.88020476E-01   
 13    404.4180000              9.41112282E-02   
 14    205.3091400              5.24169135E-03   
 15    105.8377900              5.32078521E-04   
 16     55.1615910             -2.98777960E-04   
 17     28.9702330              1.11006391E-04   
 18     15.2937230             -8.32520175E-05   
 19      8.1011289              6.27135616E-05   
 20      4.3003763             -3.95960415E-05   
 21      2.2857507              2.86197676E-05   
 22      1.2158331             -2.13059547E-05   
 23      0.64698377             1.52703312E-05   
 24      0.34434999            -1.07815508E-05   
 25      0.18329320             7.07107450E-06   
 26      0.97568223E-01        -4.03305569E-06   
 27      0.51936861E-01         1.75288784E-06   
 28      0.27646766E-01        -4.21347764E-07   
S   28
  1      0.10945911E+09         7.54019715E-07   
  2 22248380.0000000            4.25255990E-06   
  3 5181281.8000000             2.46783569E-05   
  4 1370380.7000000             1.18036494E-04   
  5 407442.8400000              4.90309538E-04   
  6 134635.4900000              1.78012618E-03   
  7  48844.3240000              5.73789858E-03   
  8  19211.8640000              1.65318095E-02   
  9   8091.3614000              4.25310305E-02   
 10   3605.9814000              9.53203015E-02   
 11   1682.0961000              1.74326802E-01   
 12    813.4231400              2.10562409E-01   
 13    404.4180000              2.15388083E-02   
 14    205.3091400             -4.40328785E-01   
 15    105.8377900             -5.54384915E-01   
 16     55.1615910             -1.67345374E-01   
 17     28.9702330             -7.17421349E-03   
 18     15.2937230              2.44268312E-04   
 19      8.1011289             -3.07367963E-04   
 20      4.3003763              5.38444857E-04   
 21      2.2857507             -4.42371950E-04   
 22      1.2158331              3.29265769E-04   
 23      0.64698377            -2.49974792E-04   
 24      0.34434999             1.75220832E-04   
 25      0.18329320            -1.14674483E-04   
 26      0.97568223E-01         6.53968486E-05   
 27      0.51936861E-01        -2.84764065E-05   
 28      0.27646766E-01         6.87635375E-06   
S   28
  1      0.10945911E+09         3.58374233E-07   
  2 22248380.0000000            2.02218892E-06   
  3 5181281.8000000             1.17282599E-05   
  4 1370380.7000000             5.61367725E-05   
  5 407442.8400000              2.33060248E-04   
  6 134635.4900000              8.47397785E-04   
  7  48844.3240000              2.73285655E-03   
  8  19211.8640000              7.91400362E-03   
  9   8091.3614000              2.05008622E-02   
 10   3605.9814000              4.68916644E-02   
 11   1682.0961000              8.87168328E-02   
 12    813.4231400              1.15463745E-01   
 13    404.4180000              1.06143341E-02   
 14    205.3091400             -3.58478393E-01   
 15    105.8377900             -6.63726195E-01   
 16     55.1615910              1.17615024E-02   
 17     28.9702330              8.87282686E-01   
 18     15.2937230              4.06949740E-01   
 19      8.1011289              3.68910286E-02   
 20      4.3003763             -5.19133972E-04   
 21      2.2857507              1.86010522E-03   
 22      1.2158331             -1.82882663E-03   
 23      0.64698377             1.27177890E-03   
 24      0.34434999            -9.21219348E-04   
 25      0.18329320             5.93658838E-04   
 26      0.97568223E-01        -3.32293853E-04   
 27      0.51936861E-01         1.42473540E-04   
 28      0.27646766E-01        -3.38973999E-05   
S   28
  1      0.10945911E+09        -1.79233222E-07   
  2 22248380.0000000           -1.01152441E-06   
  3 5181281.8000000            -5.86545961E-06   
  4 1370380.7000000            -2.80814065E-05   
  5 407442.8400000             -1.16560844E-04   
  6 134635.4900000             -4.23996545E-04   
  7  48844.3240000             -1.36742836E-03   
  8  19211.8640000             -3.96528428E-03   
  9   8091.3614000             -1.02875472E-02   
 10   3605.9814000             -2.36527315E-02   
 11   1682.0961000             -4.51118586E-02   
 12    813.4231400             -5.98507818E-02   
 13    404.4180000             -5.45513782E-03   
 14    205.3091400              2.04869628E-01   
 15    105.8377900              4.21386508E-01   
 16     55.1615910             -2.20381669E-02   
 17     28.9702330             -1.02890630E+00   
 18     15.2937230             -5.21230939E-01   
 19      8.1011289              8.46060054E-01   
 20      4.3003763              7.12819151E-01   
 21      2.2857507              6.31286262E-02   
 22      1.2158331              2.05795820E-02   
 23      0.64698377            -1.10400865E-02   
 24      0.34434999             8.27507712E-03   
 25      0.18329320            -5.26701553E-03   
 26      0.97568223E-01         2.94883953E-03   
 27      0.51936861E-01        -1.26709858E-03   
 28      0.27646766E-01         3.01453110E-04   
S   28
  1      0.10945911E+09        -7.78429292E-08   
  2 22248380.0000000           -4.39560726E-07   
  3 5181281.8000000            -2.54713031E-06   
  4 1370380.7000000            -1.22036667E-05   
  5 407442.8400000             -5.06134565E-05   
  6 134635.4900000             -1.84295757E-04   
  7  48844.3240000             -5.93725942E-04   
  8  19211.8640000             -1.72458810E-03   
  9   8091.3614000             -4.46821698E-03   
 10   3605.9814000             -1.03094754E-02   
 11   1682.0961000             -1.96361235E-02   
 12    813.4231400             -2.63320608E-02   
 13    404.4180000             -2.11244762E-03   
 14    205.3091400              9.12240058E-02   
 15    105.8377900              1.95802229E-01   
 16     55.1615910             -1.52390068E-02   
 17     28.9702330             -5.41626733E-01   
 18     15.2937230             -3.05010345E-01   
 19      8.1011289              6.62036558E-01   
 20      4.3003763              9.31745229E-01   
 21      2.2857507             -2.83765417E-01   
 22      1.2158331             -8.24759592E-01   
 23      0.64698377            -4.10620496E-01   
 24      0.34434999            -2.90557477E-02   
 25      0.18329320            -1.02383232E-02   
 26      0.97568223E-01         5.07417216E-03   
 27      0.51936861E-01        -2.30870156E-03   
 28      0.27646766E-01         5.48601254E-04   
S   28
  1      0.10945911E+09         2.23252557E-08   
  2 22248380.0000000            1.26094321E-07   
  3 5181281.8000000             7.30477944E-07   
  4 1370380.7000000             3.50088940E-06   
  5 407442.8400000              1.45146176E-05   
  6 134635.4900000              5.28727729E-05   
  7  48844.3240000              1.70254895E-04   
  8  19211.8640000              4.94853043E-04   
  9   8091.3614000              1.28124573E-03   
 10   3605.9814000              2.95975531E-03   
 11   1682.0961000              5.63131952E-03   
 12    813.4231400              7.57736356E-03   
 13    404.4180000              5.73022808E-04   
 14    205.3091400             -2.62329012E-02   
 15    105.8377900             -5.69480011E-02   
 16     55.1615910              4.95645162E-03   
 17     28.9702330              1.60115241E-01   
 18     15.2937230              9.41274281E-02   
 19      8.1011289             -2.14542428E-01   
 20      4.3003763             -3.26058361E-01   
 21      2.2857507              1.32576756E-01   
 22      1.2158331              3.90186758E-01   
 23      0.64698377             3.37144262E-01   
 24      0.34434999             1.45650910E-03   
 25      0.18329320            -3.59317080E-01   
 26      0.97568223E-01        -5.25058643E-01   
 27      0.51936861E-01        -3.01304776E-01   
 28      0.27646766E-01        -4.88002089E-02   
P   24
  1 134635.4900000              6.04689858E-05   
  2  48844.3240000              2.39205807E-04   
  3  19211.8640000              1.20618777E-03   
  4   8091.3614000              4.84145478E-03   
  5   3605.9814000              1.74978080E-02   
  6   1682.0961000              5.47324595E-02   
  7    813.4231400              1.42993838E-01   
  8    404.4180000              2.86148563E-01   
  9    205.3091400              3.73440260E-01   
 10    105.8377900              2.40181565E-01   
 11     55.1615910              5.05463285E-02   
 12     28.9702330              2.08609062E-03   
 13     15.2937230             -3.12066836E-04   
 14      8.1011289              1.63583704E-04   
 15      4.3003763             -2.14070575E-04   
 16      2.2857507              1.61238518E-04   
 17      1.2158331             -1.11935971E-04   
 18      0.64698377             8.32184203E-05   
 19      0.34434999            -5.71131486E-05   
 20      0.18329320             3.86840183E-05   
 21      0.97568223E-01        -2.46279524E-05   
 22      0.51936861E-01         1.40094722E-05   
 23      0.27646766E-01        -6.32440795E-06   
 24      0.14716794E-01         1.65966106E-06   
P   24
  1 134635.4900000              3.04316040E-05   
  2  48844.3240000              1.21243335E-04   
  3  19211.8640000              6.09095086E-04   
  4   8091.3614000              2.47172087E-03   
  5   3605.9814000              9.00196469E-03   
  6   1682.0961000              2.89725914E-02   
  7    813.4231400              7.88030702E-02   
  8    404.4180000              1.69305254E-01   
  9    205.3091400              2.31092577E-01   
 10    105.8377900              5.36369148E-02   
 11     55.1615910             -4.13845887E-01   
 12     28.9702330             -5.36373437E-01   
 13     15.2937230             -1.71252414E-01   
 14      8.1011289             -1.70208913E-02   
 15      4.3003763              1.66808440E-03   
 16      2.2857507             -1.80303511E-03   
 17      1.2158331              1.48318489E-03   
 18      0.64698377            -1.02819208E-03   
 19      0.34434999             7.43526194E-04   
 20      0.18329320            -5.04394648E-04   
 21      0.97568223E-01         3.22944056E-04   
 22      0.51936861E-01        -1.84637953E-04   
 23      0.27646766E-01         8.34560487E-05   
 24      0.14716794E-01        -2.19386966E-05   
P   24
  1 134635.4900000              1.50606516E-05   
  2  48844.3240000              6.05151519E-05   
  3  19211.8640000              3.01600652E-04   
  4   8091.3614000              1.23424796E-03   
  5   3605.9814000              4.48066156E-03   
  6   1682.0961000              1.45849252E-02   
  7    813.4231400              3.98841659E-02   
  8    404.4180000              8.76997562E-02   
  9    205.3091400              1.20343815E-01   
 10    105.8377900              1.20269985E-02   
 11     55.1615910             -3.30759548E-01   
 12     28.9702330             -4.48209312E-01   
 13     15.2937230              1.58980596E-01   
 14      8.1011289              6.53667328E-01   
 15      4.3003763              3.76210129E-01   
 16      2.2857507              4.11843248E-02   
 17      1.2158331              8.96947100E-03   
 18      0.64698377            -4.19200033E-03   
 19      0.34434999             3.29735270E-03   
 20      0.18329320            -2.26167880E-03   
 21      0.97568223E-01         1.45199379E-03   
 22      0.51936861E-01        -8.40926020E-04   
 23      0.27646766E-01         3.81253418E-04   
 24      0.14716794E-01        -1.00673024E-04   
P   24
  1 134635.4900000             -6.13258277E-06   
  2  48844.3240000             -2.48859535E-05   
  3  19211.8640000             -1.22784024E-04   
  4   8091.3614000             -5.06875807E-04   
  5   3605.9814000             -1.82798074E-03   
  6   1682.0961000             -5.99666442E-03   
  7    813.4231400             -1.63370599E-02   
  8    404.4180000             -3.63106799E-02   
  9    205.3091400             -4.94724663E-02   
 10    105.8377900             -4.02639021E-03   
 11     55.1615910              1.51723689E-01   
 12     28.9702330              2.01487161E-01   
 13     15.2937230             -1.11092979E-01   
 14      8.1011289             -4.50120577E-01   
 15      4.3003763             -2.53163416E-01   
 16      2.2857507              3.84391001E-01   
 17      1.2158331              5.47577021E-01   
 18      0.64698377             2.91820126E-01   
 19      0.34434999             4.55238338E-02   
 20      0.18329320             9.35256510E-03   
 21      0.97568223E-01        -2.62134054E-03   
 22      0.51936861E-01         2.13202133E-03   
 23      0.27646766E-01        -9.08856621E-04   
 24      0.14716794E-01         2.56108940E-04   
P   24
  1 134635.4900000              1.31049676E-06   
  2  48844.3240000              5.33041101E-06   
  3  19211.8640000              2.62364247E-05   
  4   8091.3614000              1.08530042E-04   
  5   3605.9814000              3.90762472E-04   
  6   1682.0961000              1.28408647E-03   
  7    813.4231400              3.49439516E-03   
  8    404.4180000              7.78328279E-03   
  9    205.3091400              1.05834875E-02   
 10    105.8377900              8.49593358E-04   
 11     55.1615910             -3.30093074E-02   
 12     28.9702330             -4.35664940E-02   
 13     15.2937230              2.51505311E-02   
 14      8.1011289              1.04328028E-01   
 15      4.3003763              5.62081111E-02   
 16      2.2857507             -1.10548734E-01   
 17      1.2158331             -1.61451096E-01   
 18      0.64698377            -1.04005064E-01   
 19      0.34434999             4.42586123E-02   
 20      0.18329320             2.24097203E-01   
 21      0.97568223E-01         3.70712148E-01   
 22      0.51936861E-01         3.52226683E-01   
 23      0.27646766E-01         1.55338839E-01   
 24      0.14716794E-01         1.67488989E-02   
D   18
  1  19211.8640000              1.99383638E-05   
  2   8091.3614000              9.69836848E-05   
  3   3605.9814000              5.79186102E-04   
  4   1682.0961000              2.78062011E-03   
  5    813.4231400              1.20908694E-02   
  6    404.4180000              4.37008724E-02   
  7    205.3091400              1.28352557E-01   
  8    105.8377900              2.75500422E-01   
  9     55.1615910              3.85579801E-01   
 10     28.9702330              2.76386180E-01   
 11     15.2937230              7.68891176E-02   
 12      8.1011289              8.02755582E-03   
 13      4.3003763             -1.84801091E-04   
 14      2.2857507              5.31260373E-04   
 15      1.2158331             -3.33606593E-04   
 16      0.64698377             2.00265556E-04   
 17      0.34434999            -9.81485276E-05   
 18      0.18329320             2.86428086E-05   
D   18
  1  19211.8640000             -1.05351414E-05   
  2   8091.3614000             -4.93533464E-05   
  3   3605.9814000             -3.04634924E-04   
  4   1682.0961000             -1.44098515E-03   
  5    813.4231400             -6.39028034E-03   
  6    404.4180000             -2.31856210E-02   
  7    205.3091400             -7.00338605E-02   
  8    105.8377900             -1.51039723E-01   
  9     55.1615910             -1.99468914E-01   
 10     28.9702330             -2.49476120E-02   
 11     15.2937230              3.29318971E-01   
 12      8.1011289              4.73277222E-01   
 13      4.3003763              2.65805308E-01   
 14      2.2857507              5.11400122E-02   
 15      1.2158331              5.78561722E-03   
 16      0.64698377            -8.82898520E-04   
 17      0.34434999             5.78862203E-04   
 18      0.18329320            -1.79619458E-04   
D   18
  1  19211.8640000              3.57871724E-06   
  2   8091.3614000              1.62648935E-05   
  3   3605.9814000              1.02942531E-04   
  4   1682.0961000              4.80156545E-04   
  5    813.4231400              2.15278446E-03   
  6    404.4180000              7.77863716E-03   
  7    205.3091400              2.37090288E-02   
  8    105.8377900              5.09929526E-02   
  9     55.1615910              6.69131394E-02   
 10     28.9702330             -3.37209346E-03   
 11     15.2937230             -1.41192371E-01   
 12      8.1011289             -2.00584364E-01   
 13      4.3003763             -4.05353619E-02   
 14      2.2857507              2.59553596E-01   
 15      1.2158331              3.83479497E-01   
 16      0.64698377             3.34475010E-01   
 17      0.34434999             1.60324626E-01   
 18      0.18329320             6.12928097E-02   
F   12
  1   1682.0961000              5.45328958E-05   
  2    813.4231400              2.75052742E-04   
  3    404.4180000              1.59955910E-03   
  4    205.3091400              7.60578304E-03   
  5    105.8377900              2.99636298E-02   
  6     55.1615910              8.99640164E-02   
  7     28.9702330              2.02638792E-01   
  8     15.2937230              3.10237905E-01   
  9      8.1011289              3.28010913E-01   
 10      4.3003763              2.31376176E-01   
 11      2.2857507              9.27865781E-02   
 12      1.2158331              2.67116280E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Pb
data:
LEAD
S   28
  1 73753376.0000000            3.82918923E-06   
  2 14954702.0000000            2.15654895E-05   
  3 3513435.8000000             1.22783051E-04   
  4 946395.2700000              5.69041300E-04   
  5 288721.3300000              2.26620782E-03   
  6  98410.3170000              7.80972446E-03   
  7  36939.1350000              2.35887702E-02   
  8  15047.3120000              6.23689410E-02   
  9   6558.3089000              1.41406779E-01   
 10   3018.2805000              2.59105582E-01   
 11   1449.6318000              3.38039531E-01   
 12    719.2957500              2.44808363E-01   
 13    365.6662000              6.38439352E-02   
 14    189.1857500              2.87346245E-03   
 15     99.0986130              2.90868108E-05   
 16     52.3514000              6.48129547E-05   
 17     27.8120670             -1.61469532E-04   
 18     14.8288060              1.27096139E-04   
 19      7.9240379             -9.35114280E-05   
 20      4.2399181              7.52443781E-05   
 21      2.2703218             -5.56834928E-05   
 22      1.2161428              3.97734004E-05   
 23      0.65157228            -2.81510121E-05   
 24      0.34912095             1.89908749E-05   
 25      0.18706936            -1.19341206E-05   
 26      0.10023829             6.55603564E-06   
 27      0.53711299E-01        -2.76098836E-06   
 28      0.28780466E-01         6.48049619E-07   
S   28
  1 73753376.0000000            1.27740430E-06   
  2 14954702.0000000            7.19485223E-06   
  3 3513435.8000000             4.09684215E-05   
  4 946395.2700000              1.90000553E-04   
  5 288721.3300000              7.58077278E-04   
  6  98410.3170000              2.62679314E-03   
  7  36939.1350000              8.04098351E-03   
  8  15047.3120000              2.19385296E-02   
  9   6558.3089000              5.31742688E-02   
 10   3018.2805000              1.11544412E-01   
 11   1449.6318000              1.86782319E-01   
 12    719.2957500              1.92213121E-01   
 13    365.6662000             -4.99975504E-02   
 14    189.1857500             -4.92936469E-01   
 15     99.0986130             -5.03741914E-01   
 16     52.3514000             -1.25968405E-01   
 17     27.8120670             -4.98994824E-03   
 18     14.8288060              7.76110956E-04   
 19      7.9240379             -6.07714939E-04   
 20      4.2399181              7.05442501E-04   
 21      2.2703218             -5.53820043E-04   
 22      1.2161428              3.98690109E-04   
 23      0.65157228            -2.91111278E-04   
 24      0.34912095             1.97880635E-04   
 25      0.18706936            -1.25094352E-04   
 26      0.10023829             6.90226791E-05   
 27      0.53711299E-01        -2.91277572E-05   
 28      0.28780466E-01         6.84928263E-06   
S   28
  1 73753376.0000000            6.07958961E-07   
  2 14954702.0000000            3.42591475E-06   
  3 3513435.8000000             1.94967090E-05   
  4 946395.2700000              9.04885327E-05   
  5 288721.3300000              3.60867869E-04   
  6  98410.3170000              1.25263696E-03   
  7  36939.1350000              3.83805542E-03   
  8  15047.3120000              1.05382529E-02   
  9   6558.3089000              2.57614517E-02   
 10   3018.2805000              5.53756606E-02   
 11   1449.6318000              9.63679044E-02   
 12    719.2957500              1.07889687E-01   
 13    365.6662000             -3.62894493E-02   
 14    189.1857500             -4.24198143E-01   
 15     99.0986130             -6.33416574E-01   
 16     52.3514000              1.56615363E-01   
 17     27.8120670              8.82204327E-01   
 18     14.8288060              3.37668966E-01   
 19      7.9240379              3.24037971E-02   
 20      4.2399181             -4.08041825E-03   
 21      2.2703218              4.20600241E-03   
 22      1.2161428             -3.56017608E-03   
 23      0.65157228             2.51109778E-03   
 24      0.34912095            -1.76090465E-03   
 25      0.18706936             1.12564004E-03   
 26      0.10023829            -6.23773265E-04   
 27      0.53711299E-01         2.64820084E-04   
 28      0.28780466E-01        -6.23558413E-05   
S   28
  1 73753376.0000000           -3.05101207E-07   
  2 14954702.0000000           -1.71993388E-06   
  3 3513435.8000000            -9.78353386E-06   
  4 946395.2700000             -4.54324658E-05   
  5 288721.3300000             -1.81086271E-04   
  6  98410.3170000             -6.29178601E-04   
  7  36939.1350000             -1.92697673E-03   
  8  15047.3120000             -5.30358186E-03   
  9   6558.3089000             -1.29777519E-02   
 10   3018.2805000             -2.81064399E-02   
 11   1449.6318000             -4.92670902E-02   
 12    719.2957500             -5.66212047E-02   
 13    365.6662000              2.04285558E-02   
 14    189.1857500              2.45788941E-01   
 15     99.0986130              4.14017189E-01   
 16     52.3514000             -1.47202388E-01   
 17     27.8120670             -1.06839463E+00   
 18     14.8288060             -3.78521390E-01   
 19      7.9240379              9.04178821E-01   
 20      4.2399181              6.44867603E-01   
 21      2.2703218              4.42983397E-02   
 22      1.2161428              2.10680545E-02   
 23      0.65157228            -1.16705841E-02   
 24      0.34912095             8.51316538E-03   
 25      0.18706936            -5.42025276E-03   
 26      0.10023829             3.00407532E-03   
 27      0.53711299E-01        -1.28375345E-03   
 28      0.28780466E-01         3.02690022E-04   
S   28
  1 73753376.0000000           -1.34464934E-07   
  2 14954702.0000000           -7.58529358E-07   
  3 3513435.8000000            -4.31114082E-06   
  4 946395.2700000             -2.00389103E-05   
  5 288721.3300000             -7.97852157E-05   
  6  98410.3170000             -2.77595118E-04   
  7  36939.1350000             -8.48872209E-04   
  8  15047.3120000             -2.34203142E-03   
  9   6558.3089000             -5.71826165E-03   
 10   3018.2805000             -1.24486111E-02   
 11   1449.6318000             -2.17486611E-02   
 12    719.2957500             -2.54139150E-02   
 13    365.6662000              9.70167121E-03   
 14    189.1857500              1.11151647E-01   
 15     99.0986130              1.97554300E-01   
 16     52.3514000             -8.06449075E-02   
 17     27.8120670             -5.73478978E-01   
 18     14.8288060             -2.34834439E-01   
 19      7.9240379              7.60073302E-01   
 20      4.2399181              8.86143867E-01   
 21      2.2703218             -3.94051282E-01   
 22      1.2161428             -8.27118562E-01   
 23      0.65157228            -3.62238256E-01   
 24      0.34912095            -1.08921372E-02   
 25      0.18706936            -1.27112566E-02   
 26      0.10023829             6.53983622E-03   
 27      0.53711299E-01        -2.96989924E-03   
 28      0.28780466E-01         6.99455932E-04   
S   28
  1 73753376.0000000           -4.16070192E-08   
  2 14954702.0000000           -2.34773152E-07   
  3 3513435.8000000            -1.33389619E-06   
  4 946395.2700000             -6.20252260E-06   
  5 288721.3300000             -2.46846032E-05   
  6  98410.3170000             -8.59314104E-05   
  7  36939.1350000             -2.62603950E-04   
  8  15047.3120000             -7.25184726E-04   
  9   6558.3089000             -1.76879266E-03   
 10   3018.2805000             -3.85756871E-03   
 11   1449.6318000             -6.72681659E-03   
 12    719.2957500             -7.90449102E-03   
 13    365.6662000              3.07667213E-03   
 14    189.1857500              3.44809861E-02   
 15     99.0986130              6.22184093E-02   
 16     52.3514000             -2.63621163E-02   
 17     27.8120670             -1.83132605E-01   
 18     14.8288060             -8.03104388E-02   
 19      7.9240379              2.71534910E-01   
 20      4.2399181              3.35964919E-01   
 21      2.2703218             -1.90164152E-01   
 22      1.2161428             -4.49442634E-01   
 23      0.65157228            -3.63610539E-01   
 24      0.34912095             9.69396805E-02   
 25      0.18706936             4.61911298E-01   
 26      0.10023829             5.17141522E-01   
 27      0.53711299E-01         2.08273349E-01   
 28      0.28780466E-01         1.94030561E-02   
P   24
  1 288721.3300000              1.70058202E-05   
  2  98410.3170000              7.92965485E-05   
  3  36939.1350000              4.22217793E-04   
  4  15047.3120000              1.81114656E-03   
  5   6558.3089000              6.94636866E-03   
  6   3018.2805000              2.32823956E-02   
  7   1449.6318000              6.81652212E-02   
  8    719.2957500              1.65262691E-01   
  9    365.6662000              3.05021173E-01   
 10    189.1857500              3.59837420E-01   
 11     99.0986130              2.04821449E-01   
 12     52.3514000              3.67769133E-02   
 13     27.8120670              1.43534510E-03   
 14     14.8288060             -3.70506926E-04   
 15      7.9240379              1.80173576E-04   
 16      4.2399181             -2.06551098E-04   
 17      2.2703218              1.55027759E-04   
 18      1.2161428             -1.05246435E-04   
 19      0.65157228             7.69706035E-05   
 20      0.34912095            -5.13968785E-05   
 21      0.18706936             3.28830095E-05   
 22      0.10023829            -1.87147050E-05   
 23      0.53711299E-01         8.40316368E-06   
 24      0.28780466E-01        -2.19369890E-06   
P   24
  1 288721.3300000              8.61496518E-06   
  2  98410.3170000              3.99537288E-05   
  3  36939.1350000              2.14300250E-04   
  4  15047.3120000              9.17842020E-04   
  5   6558.3089000              3.56010681E-03   
  6   3018.2805000              1.20616835E-02   
  7   1449.6318000              3.64455028E-02   
  8    719.2957500              9.23759716E-02   
  9    365.6662000              1.83401905E-01   
 10    189.1857500              2.20514789E-01   
 11     99.0986130             -1.46055730E-03   
 12     52.3514000             -4.57894039E-01   
 13     27.8120670             -4.99546432E-01   
 14     14.8288060             -1.40740919E-01   
 15      7.9240379             -1.37368622E-02   
 16      4.2399181              1.97899036E-03   
 17      2.2703218             -1.86298922E-03   
 18      1.2161428              1.51932918E-03   
 19      0.65157228            -1.03963342E-03   
 20      0.34912095             7.27727557E-04   
 21      0.18706936            -4.67886661E-04   
 22      0.10023829             2.67392786E-04   
 23      0.53711299E-01        -1.20827366E-04   
 24      0.28780466E-01         3.15376359E-05   
P   24
  1 288721.3300000              4.31541071E-06   
  2  98410.3170000              1.98147065E-05   
  3  36939.1350000              1.07383575E-04   
  4  15047.3120000              4.56536999E-04   
  5   6558.3089000              1.78629467E-03   
  6   3018.2805000              6.03540974E-03   
  7   1449.6318000              1.84656022E-02   
  8    719.2957500              4.70838881E-02   
  9    365.6662000              9.58529902E-02   
 10    189.1857500              1.14712173E-01   
 11     99.0986130             -2.34625692E-02   
 12     52.3514000             -3.72107717E-01   
 13     27.8120670             -4.09391144E-01   
 14     14.8288060              2.30518995E-01   
 15      7.9240379              6.55157922E-01   
 16      4.2399181              3.33462754E-01   
 17      2.2703218              3.25831987E-02   
 18      1.2161428              7.56827173E-03   
 19      0.65157228            -3.47063153E-03   
 20      0.34912095             2.61242804E-03   
 21      0.18706936            -1.70529976E-03   
 22      0.10023829             9.71143912E-04   
 23      0.53711299E-01        -4.45248206E-04   
 24      0.28780466E-01         1.16284238E-04   
P   24
  1 288721.3300000              1.80824555E-06   
  2  98410.3170000              8.20746439E-06   
  3  36939.1350000              4.49938614E-05   
  4  15047.3120000              1.89550059E-04   
  5   6558.3089000              7.47905029E-04   
  6   3018.2805000              2.51124463E-03   
  7   1449.6318000              7.74492768E-03   
  8    719.2957500              1.96757664E-02   
  9    365.6662000              4.05205939E-02   
 10    189.1857500              4.79764328E-02   
 11     99.0986130             -1.15532010E-02   
 12     52.3514000             -1.74876934E-01   
 13     27.8120670             -1.85423605E-01   
 14     14.8288060              1.53839346E-01   
 15      7.9240379              4.74390389E-01   
 16      4.2399181              2.03410874E-01   
 17      2.2703218             -4.33977640E-01   
 18      1.2161428             -5.44339183E-01   
 19      0.65157228            -2.55434380E-01   
 20      0.34912095            -3.06557458E-02   
 21      0.18706936            -7.88218816E-03   
 22      0.10023829             2.29238330E-03   
 23      0.53711299E-01        -1.44895589E-03   
 24      0.28780466E-01         3.46043731E-04   
P   24
  1 288721.3300000              4.49840355E-07   
  2  98410.3170000              2.03607072E-06   
  3  36939.1350000              1.11929667E-05   
  4  15047.3120000              4.70487244E-05   
  5   6558.3089000              1.86010856E-04   
  6   3018.2805000              6.23581378E-04   
  7   1449.6318000              1.92663328E-03   
  8    719.2957500              4.88903296E-03   
  9    365.6662000              1.00925152E-02   
 10    189.1857500              1.19173473E-02   
 11     99.0986130             -2.91937806E-03   
 12     52.3514000             -4.42720757E-02   
 13     27.8120670             -4.65162520E-02   
 14     14.8288060              4.04909711E-02   
 15      7.9240379              1.29158435E-01   
 16      4.2399181              5.00942250E-02   
 17      2.2703218             -1.46579511E-01   
 18      1.2161428             -1.94828063E-01   
 19      0.65157228            -1.11384359E-01   
 20      0.34912095             1.04176258E-01   
 21      0.18706936             3.16411189E-01   
 22      0.10023829             4.15643841E-01   
 23      0.53711299E-01         2.66909860E-01   
 24      0.28780466E-01         7.45744495E-02   
D   18
  1  15047.3120000              3.59416477E-05   
  2   6558.3089000              1.56302743E-04   
  3   3018.2805000              8.68681483E-04   
  4   1449.6318000              3.89171816E-03   
  5    719.2957500              1.57173069E-02   
  6    365.6662000              5.31885995E-02   
  7    189.1857500              1.45889279E-01   
  8     99.0986130              2.92554446E-01   
  9     52.3514000              3.79595544E-01   
 10     27.8120670              2.48299705E-01   
 11     14.8288060              6.32814740E-02   
 12      7.9240379              6.08078379E-03   
 13      4.2399181             -1.17250485E-04   
 14      2.2703218              3.98369929E-04   
 15      1.2161428             -2.54730279E-04   
 16      0.65157228             1.51986407E-04   
 17      0.34912095            -7.39664069E-05   
 18      0.18706936             2.15781949E-05   
D   18
  1  15047.3120000             -1.89203327E-05   
  2   6558.3089000             -8.08815287E-05   
  3   3018.2805000             -4.57737647E-04   
  4   1449.6318000             -2.03971970E-03   
  5    719.2957500             -8.36128132E-03   
  6    365.6662000             -2.85436615E-02   
  7    189.1857500             -8.03416873E-02   
  8     99.0986130             -1.61387561E-01   
  9     52.3514000             -1.91685977E-01   
 10     27.8120670              1.24437822E-02   
 11     14.8288060              3.57215939E-01   
 12      7.9240379              4.63870338E-01   
 13      4.2399181              2.37321536E-01   
 14      2.2703218              4.20741624E-02   
 15      1.2161428              4.27297632E-03   
 16      0.65157228            -6.37568425E-04   
 17      0.34912095             3.96290811E-04   
 18      0.18706936            -1.32821166E-04   
D   18
  1  15047.3120000              6.66967142E-06   
  2   6558.3089000              2.80068266E-05   
  3   3018.2805000              1.61067386E-04   
  4   1449.6318000              7.11330239E-04   
  5    719.2957500              2.93969718E-03   
  6    365.6662000              1.00160902E-02   
  7    189.1857500              2.84131672E-02   
  8     99.0986130              5.69408057E-02   
  9     52.3514000              6.65730107E-02   
 10     27.8120670             -1.92115267E-02   
 11     14.8288060             -1.59721093E-01   
 12      7.9240379             -2.05902467E-01   
 13      4.2399181             -1.03677097E-02   
 14      2.2703218              2.93949597E-01   
 15      1.2161428              4.00084182E-01   
 16      0.65157228             3.13724999E-01   
 17      0.34912095             1.29632613E-01   
 18      0.18706936             3.81662835E-02   
F   12
  1   1449.6318000              8.77099956E-05   
  2    719.2957500              3.97412809E-04   
  3    365.6662000              2.15620333E-03   
  4    189.1857500              9.69697352E-03   
  5     99.0986130              3.56720551E-02   
  6     52.3514000              1.01804428E-01   
  7     27.8120670              2.17036947E-01   
  8     14.8288060              3.16336216E-01   
  9      7.9240379              3.21083592E-01   
 10      4.2399181              2.12295861E-01   
 11      2.2703218              7.98722378E-02   
 12      1.2161428              1.99406166E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Bi
data:
BISMUTH
S   28
  1 81466050.0000000            3.47871658E-06   
  2 16616094.0000000            1.94151038E-05   
  3 3918843.6000000             1.10202787E-04   
  4 1057867.4000000             5.09854749E-04   
  5 322990.5300000              2.03104690E-03   
  6 110076.8900000              7.01182652E-03   
  7  41290.5020000              2.12570401E-02   
  8  16805.3900000              5.65811360E-02   
  9   7319.0317000              1.29918643E-01   
 10   3366.9167000              2.43900458E-01   
 11   1617.1036000              3.33784818E-01   
 12    802.8171500              2.64839151E-01   
 13    408.5492700              8.19891834E-02   
 14    211.6909000              4.65613584E-03   
 15    111.0992600              3.71492244E-04   
 16     58.8227310             -1.86583954E-04   
 17     31.3281730              3.08941668E-05   
 18     16.7484920             -2.57959861E-05   
 19      8.9751627              2.03670527E-05   
 20      4.8163589             -7.77205693E-06   
 21      2.5866598              4.93062736E-06   
 22      1.3897663             -3.69547358E-06   
 23      0.74684967             2.24567037E-06   
 24      0.40138756            -1.50606464E-06   
 25      0.21572963             9.54000994E-07   
 26      0.11594728            -5.30511618E-07   
 27      0.62317860E-01         2.31279802E-07   
 28      0.33493819E-01        -5.55772711E-08   
S   28
  1 81466050.0000000            1.16121335E-06   
  2 16616094.0000000            6.48101087E-06   
  3 3918843.6000000             3.67937494E-05   
  4 1057867.4000000             1.70319699E-04   
  5 322990.5300000              6.79701566E-04   
  6 110076.8900000              2.35805305E-03   
  7  41290.5020000              7.23817127E-03   
  8  16805.3900000              1.98265163E-02   
  9   7319.0317000              4.84256515E-02   
 10   3366.9167000              1.02966977E-01   
 11   1617.1036000              1.77944811E-01   
 12    802.8171500              2.00052367E-01   
 13    408.5492700             -1.16310508E-04   
 14    211.6909000             -4.41238264E-01   
 15    111.0992600             -5.39952887E-01   
 16     58.8227310             -1.70048836E-01   
 17     31.3281730             -7.80899909E-03   
 18     16.7484920             -2.43147733E-04   
 19      8.9751627              1.04697440E-04   
 20      4.8163589              2.22704244E-04   
 21      2.5866598             -1.97722190E-04   
 22      1.3897663              1.43010922E-04   
 23      0.74684967            -1.13762723E-04   
 24      0.40138756             7.82441085E-05   
 25      0.21572963            -4.98278286E-05   
 26      0.11594728             2.76840456E-05   
 27      0.62317860E-01        -1.16512300E-05   
 28      0.33493819E-01         2.73575046E-06   
S   28
  1 81466050.0000000            5.53405353E-07   
  2 16616094.0000000            3.08998502E-06   
  3 3918843.6000000             1.75338225E-05   
  4 1057867.4000000             8.12182513E-05   
  5 322990.5300000              3.23993656E-04   
  6 110076.8900000              1.12577716E-03   
  7  41290.5020000              3.45881056E-03   
  8  16805.3900000              9.52893255E-03   
  9   7319.0317000              2.34611269E-02   
 10   3366.9167000              5.10096450E-02   
 11   1617.1036000              9.13890971E-02   
 12    802.8171500              1.11011203E-01   
 13    408.5492700             -3.14832862E-03   
 14    211.6909000             -3.64519965E-01   
 15    111.0992600             -6.50360060E-01   
 16     58.8227310             -6.71075864E-03   
 17     31.3281730              8.66430110E-01   
 18     16.7484920              4.36297497E-01   
 19      8.9751627              4.38198074E-02   
 20      4.8163589              6.51553486E-04   
 21      2.5866598              1.00727656E-03   
 22      1.3897663             -1.20142765E-03   
 23      0.74684967             7.95748445E-04   
 24      0.40138756            -5.92069254E-04   
 25      0.21572963             3.85823428E-04   
 26      0.11594728            -2.13958287E-04   
 27      0.62317860E-01         9.15137955E-05   
 28      0.33493819E-01        -2.14876648E-05   
S   28
  1 81466050.0000000           -2.78710629E-07   
  2 16616094.0000000           -1.55648702E-06   
  3 3918843.6000000            -8.83022279E-06   
  4 1057867.4000000            -4.09134543E-05   
  5 322990.5300000             -1.63174368E-04   
  6 110076.8900000             -5.67284964E-04   
  7  41290.5020000             -1.74296999E-03   
  8  16805.3900000             -4.80979293E-03   
  9   7319.0317000             -1.18616140E-02   
 10   3366.9167000             -2.59428940E-02   
 11   1617.1036000             -4.68666775E-02   
 12    802.8171500             -5.81274257E-02   
 13    408.5492700              2.01443031E-03   
 14    211.6909000              2.10502550E-01   
 15    111.0992600              4.17214326E-01   
 16     58.8227310             -7.83950352E-03   
 17     31.3281730             -1.00340392E+00   
 18     16.7484920             -5.89522857E-01   
 19      8.9751627              7.97233456E-01   
 20      4.8163589              7.63374521E-01   
 21      2.5866598              8.22674509E-02   
 22      1.3897663              2.21149472E-02   
 23      0.74684967            -1.15066266E-02   
 24      0.40138756             8.64597795E-03   
 25      0.21572963            -5.55898956E-03   
 26      0.11594728             3.07669655E-03   
 27      0.62317860E-01        -1.31847592E-03   
 28      0.33493819E-01         3.10033911E-04   
S   28
  1 81466050.0000000           -1.24602805E-07   
  2 16616094.0000000           -6.96203112E-07   
  3 3918843.6000000            -3.94726203E-06   
  4 1057867.4000000            -1.83016819E-05   
  5 322990.5300000             -7.29349714E-05   
  6 110076.8900000             -2.53819780E-04   
  7  41290.5020000             -7.79003761E-04   
  8  16805.3900000             -2.15359966E-03   
  9   7319.0317000             -5.30339137E-03   
 10   3366.9167000             -1.16454317E-02   
 11   1617.1036000             -2.10022762E-02   
 12    802.8171500             -2.63691806E-02   
 13    408.5492700              1.26327321E-03   
 14    211.6909000              9.65987961E-02   
 15    111.0992600              2.00066120E-01   
 16     58.8227310             -8.67847134E-03   
 17     31.3281730             -5.44847743E-01   
 18     16.7484920             -3.57198564E-01   
 19      8.9751627              6.39379995E-01   
 20      4.8163589              1.01201708E+00   
 21      2.5866598             -2.30192847E-01   
 22      1.3897663             -8.73262046E-01   
 23      0.74684967            -4.27500417E-01   
 24      0.40138756            -2.24887345E-02   
 25      0.21572963            -1.18295845E-02   
 26      0.11594728             5.65117045E-03   
 27      0.62317860E-01        -2.64905603E-03   
 28      0.33493819E-01         6.13849500E-04   
S   28
  1 81466050.0000000            4.07946735E-08   
  2 16616094.0000000            2.27994853E-07   
  3 3918843.6000000             1.29224563E-06   
  4 1057867.4000000             5.99372980E-06   
  5 322990.5300000              2.38759441E-05   
  6 110076.8900000              8.31332479E-05   
  7  41290.5020000              2.54989881E-04   
  8  16805.3900000              7.05543243E-04   
  9   7319.0317000              1.73579294E-03   
 10   3366.9167000              3.81795705E-03   
 11   1617.1036000              6.87400418E-03   
 12    802.8171500              8.67301559E-03   
 13    408.5492700             -4.73813755E-04   
 14    211.6909000             -3.17013603E-02   
 15    111.0992600             -6.65943639E-02   
 16     58.8227310              3.65302284E-03   
 17     31.3281730              1.84194395E-01   
 18     16.7484920              1.26900814E-01   
 19      8.9751627             -2.39739597E-01   
 20      4.8163589             -4.08007878E-01   
 21      2.5866598              1.26253859E-01   
 22      1.3897663              4.93538825E-01   
 23      0.74684967             4.37501701E-01   
 24      0.40138756            -9.26426206E-02   
 25      0.21572963            -4.95362154E-01   
 26      0.11594728            -5.26856900E-01   
 27      0.62317860E-01        -1.96461154E-01   
 28      0.33493819E-01        -1.58080374E-02   
P   24
  1 322990.5300000              1.45944593E-05   
  2 110076.8900000              6.81634921E-05   
  3  41290.5020000              3.63514318E-04   
  4  16805.3900000              1.56512997E-03   
  5   7319.0317000              6.02751279E-03   
  6   3366.9167000              2.03498599E-02   
  7   1617.1036000              6.02519345E-02   
  8    802.8171500              1.49317976E-01   
  9    408.5492700              2.86289331E-01   
 10    211.6909000              3.62854829E-01   
 11    111.0992600              2.32955620E-01   
 12     58.8227310              5.13651297E-02   
 13     31.3281730              2.22028480E-03   
 14     16.7484920             -1.88861547E-04   
 15      8.9751627              6.44749109E-05   
 16      4.8163589             -1.43575658E-04   
 17      2.5866598              1.09770026E-04   
 18      1.3897663             -7.34257880E-05   
 19      0.74684967             5.58791581E-05   
 20      0.40138756            -3.72033654E-05   
 21      0.21572963             2.39042976E-05   
 22      0.11594728            -1.36234728E-05   
 23      0.62317860E-01         6.10389428E-06   
 24      0.33493819E-01        -1.58989245E-06   
P   24
  1 322990.5300000              7.41076684E-06   
  2 110076.8900000              3.43687079E-05   
  3  41290.5020000              1.84902155E-04   
  4  16805.3900000              7.93671277E-04   
  5   7319.0317000              3.09274282E-03   
  6   3366.9167000              1.05332581E-02   
  7   1617.1036000              3.21464510E-02   
  8    802.8171500              8.30010429E-02   
  9    408.5492700              1.70887622E-01   
 10    211.6909000              2.25055803E-01   
 11    111.0992600              4.99201826E-02   
 12     58.8227310             -4.00372235E-01   
 13     31.3281730             -5.33558505E-01   
 14     16.7484920             -1.84809934E-01   
 15      8.9751627             -1.93131008E-02   
 16      4.8163589              1.13265666E-03   
 17      2.5866598             -1.41847265E-03   
 18      1.3897663              1.20971913E-03   
 19      0.74684967            -8.13201235E-04   
 20      0.40138756             5.77109494E-04   
 21      0.21572963            -3.71845932E-04   
 22      0.11594728             2.12604092E-04   
 23      0.62317860E-01        -9.59541336E-05   
 24      0.33493819E-01         2.49888774E-05   
P   24
  1 322990.5300000              3.72705590E-06   
  2 110076.8900000              1.71174629E-05   
  3  41290.5020000              9.30185352E-05   
  4  16805.3900000              3.96410171E-04   
  5   7319.0317000              1.55766765E-03   
  6   3366.9167000              5.29043180E-03   
  7   1617.1036000              1.63369302E-02   
  8    802.8171500              4.24198447E-02   
  9    408.5492700              8.94270195E-02   
 10    211.6909000              1.18166843E-01   
 11    111.0992600              9.99067297E-03   
 12     58.8227310             -3.23751928E-01   
 13     31.3281730             -4.52517882E-01   
 14     16.7484920              1.22297278E-01   
 15      8.9751627              6.46860433E-01   
 16      4.8163589              4.01526362E-01   
 17      2.5866598              5.02045180E-02   
 18      1.3897663              9.42367621E-03   
 19      0.74684967            -4.14370084E-03   
 20      0.40138756             3.17150411E-03   
 21      0.21572963            -2.08633376E-03   
 22      0.11594728             1.19713755E-03   
 23      0.62317860E-01        -5.45503001E-04   
 24      0.33493819E-01         1.43229136E-04   
P   24
  1 322990.5300000              1.59178066E-06   
  2 110076.8900000              7.21964785E-06   
  3  41290.5020000              3.97236206E-05   
  4  16805.3900000              1.67621087E-04   
  5   7319.0317000              6.64604237E-04   
  6   3366.9167000              2.24192820E-03   
  7   1617.1036000              6.98113100E-03   
  8    802.8171500              1.80519464E-02   
  9    408.5492700              3.84997801E-02   
 10    211.6909000              5.04395684E-02   
 11    111.0992600              3.27215069E-03   
 12     58.8227310             -1.54882962E-01   
 13     31.3281730             -2.12349216E-01   
 14     16.7484920              9.53438806E-02   
 15      8.9751627              4.66554918E-01   
 16      4.8163589              2.92291708E-01   
 17      2.5866598             -3.79044100E-01   
 18      1.3897663             -5.75934739E-01   
 19      0.74684967            -2.90495628E-01   
 20      0.40138756            -3.73516243E-02   
 21      0.21572963            -8.37658193E-03   
 22      0.11594728             2.55697459E-03   
 23      0.62317860E-01        -1.39666950E-03   
 24      0.33493819E-01         3.88469295E-04   
P   24
  1 322990.5300000              4.36867054E-07   
  2 110076.8900000              1.97402561E-06   
  3  41290.5020000              1.09017843E-05   
  4  16805.3900000              4.58653051E-05   
  5   7319.0317000              1.82332422E-04   
  6   3366.9167000              6.13754970E-04   
  7   1617.1036000              1.91554399E-03   
  8    802.8171500              4.94541503E-03   
  9    408.5492700              1.05773921E-02   
 10    211.6909000              1.38173179E-02   
 11    111.0992600              8.84166718E-04   
 12     58.8227310             -4.33111876E-02   
 13     31.3281730             -5.89292757E-02   
 14     16.7484920              2.79558196E-02   
 15      8.9751627              1.40379722E-01   
 16      4.8163589              8.44644221E-02   
 17      2.5866598             -1.44906338E-01   
 18      1.3897663             -2.29520561E-01   
 19      0.74684967            -1.44124228E-01   
 20      0.40138756             1.16201106E-01   
 21      0.21572963             3.59430747E-01   
 22      0.11594728             4.24717480E-01   
 23      0.62317860E-01         2.36500454E-01   
 24      0.33493819E-01         5.07802880E-02   
D   18
  1  16805.3900000              2.99702085E-05   
  2   7319.0317000              1.29444991E-04   
  3   3366.9167000              7.29089675E-04   
  4   1617.1036000              3.26199314E-03   
  5    802.8171500              1.33606398E-02   
  6    408.5492700              4.58623637E-02   
  7    211.6909000              1.29538666E-01   
  8    111.0992600              2.71200894E-01   
  9     58.8227310              3.77576977E-01   
 10     31.3281730              2.76428157E-01   
 11     16.7484920              8.19068735E-02   
 12      8.9751627              8.97565396E-03   
 13      4.8163589             -4.19876817E-05   
 14      2.5866598              4.43620388E-04   
 15      1.3897663             -2.77611542E-04   
 16      0.74684967             1.65511358E-04   
 17      0.40138756            -8.03859948E-05   
 18      0.21572963             2.35518209E-05   
D   18
  1  16805.3900000             -1.59628613E-05   
  2   7319.0317000             -6.69545182E-05   
  3   3366.9167000             -3.87974962E-04   
  4   1617.1036000             -1.71472519E-03   
  5    802.8171500             -7.15704720E-03   
  6    408.5492700             -2.46846342E-02   
  7    211.6909000             -7.16824699E-02   
  8    111.0992600             -1.50715609E-01   
  9     58.8227310             -1.98184372E-01   
 10     31.3281730             -3.19169278E-02   
 11     16.7484920              3.15570440E-01   
 12      8.9751627              4.73847030E-01   
 13      4.8163589              2.75796376E-01   
 14      2.5866598              5.57917419E-02   
 15      1.3897663              5.99498019E-03   
 16      0.74684967            -8.70514934E-04   
 17      0.40138756             5.25192382E-04   
 18      0.21572963            -1.81970787E-04   
D   18
  1  16805.3900000              5.87360299E-06   
  2   7319.0317000              2.39222225E-05   
  3   3366.9167000              1.42277925E-04   
  4   1617.1036000              6.19367645E-04   
  5    802.8171500              2.61694481E-03   
  6    408.5492700              8.98183935E-03   
  7    211.6909000              2.63450435E-02   
  8    111.0992600              5.51956807E-02   
  9     58.8227310              7.21681895E-02   
 10     31.3281730             -1.28150633E-03   
 11     16.7484920             -1.48816077E-01   
 12      8.9751627             -2.21399502E-01   
 13      4.8163589             -5.09172389E-02   
 14      2.5866598              2.76137442E-01   
 15      1.3897663              4.13936696E-01   
 16      0.74684967             3.28739849E-01   
 17      0.40138756             1.30248834E-01   
 18      0.21572963             3.69309602E-02   
F   12
  1   1617.1036000              7.25243568E-05   
  2    802.8171500              3.24534663E-04   
  3    408.5492700              1.80602562E-03   
  4    211.6909000              8.14470947E-03   
  5    111.0992600              3.09207363E-02   
  6     58.8227310              9.06828997E-02   
  7     31.3281730              2.01908669E-01   
  8     16.7484920              3.08890748E-01   
  9      8.9751627              3.27884630E-01   
 10      4.8163589              2.28371958E-01   
 11      2.5866598              8.95419716E-02   
 12      1.3897663              2.29928131E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Po
data:
POLONIUM
S   28
  1 89054877.0000000            3.20115333E-06   
  2 18260407.0000000            1.77206105E-05   
  3 4321596.7000000             1.00311012E-04   
  4 1168814.9000000             4.63393073E-04   
  5 357103.8700000              1.84655231E-03   
  6 121675.4200000              6.38588025E-03   
  7  45605.7770000              1.94244053E-02   
  8  18542.9820000              5.20064372E-02   
  9   8067.8727000              1.20682905E-01   
 10   3708.6113000              2.31070132E-01   
 11   1780.5116000              3.28432095E-01   
 12    883.9615700              2.80002776E-01   
 13    450.0462100              9.89460579E-02   
 14    233.3914900              7.06344323E-03   
 15    122.6356100              6.25962373E-04   
 16     65.0278260             -3.76251466E-04   
 17     34.6926010              1.85947570E-04   
 18     18.5823030             -1.53188374E-04   
 19      9.9779478              1.16399113E-04   
 20      5.3657299             -7.84592040E-05   
 21      2.8879084              5.69082843E-05   
 22      1.5550123             -4.11094681E-05   
 23      0.83749239             2.84452469E-05   
 24      0.45109815            -1.91633613E-05   
 25      0.24298423             1.20264874E-05   
 26      0.13088522            -6.58634603E-06   
 27      0.70502499E-01         2.76997090E-06   
 28      0.37976823E-01        -6.47387726E-07   
S   28
  1 89054877.0000000            1.06920742E-06   
  2 18260407.0000000            5.91862773E-06   
  3 4321596.7000000             3.35113240E-05   
  4 1168814.9000000             1.54874916E-04   
  5 357103.8700000              6.18232637E-04   
  6 121675.4200000              2.14752000E-03   
  7  45605.7770000              6.60899985E-03   
  8  18542.9820000              1.81700218E-02   
  9   8067.8727000              4.46732061E-02   
 10   3708.6113000              9.60609373E-02   
 11   1780.5116000              1.70141571E-01   
 12    883.9615700              2.04021165E-01   
 13    450.0462100              3.72512128E-02   
 14    233.3914900             -3.93417854E-01   
 15    122.6356100             -5.61665551E-01   
 16     65.0278260             -2.11327758E-01   
 17     34.6926010             -1.21955694E-02   
 18     18.5823030             -1.08179582E-03   
 19      9.9779478              7.19795456E-04   
 20      5.3657299             -2.17318574E-04   
 21      2.8879084              1.36892177E-04   
 22      1.5550123             -1.00755146E-04   
 23      0.83749239             5.67558202E-05   
 24      0.45109815            -3.72485602E-05   
 25      0.24298423             2.29327034E-05   
 26      0.13088522            -1.21930292E-05   
 27      0.70502499E-01         5.13650543E-06   
 28      0.37976823E-01        -1.18891281E-06   
S   28
  1 89054877.0000000            5.10240246E-07   
  2 18260407.0000000            2.82533829E-06   
  3 4321596.7000000             1.59913569E-05   
  4 1168814.9000000             7.39426681E-05   
  5 357103.8700000              2.95094548E-04   
  6 121675.4200000              1.02639156E-03   
  7  45605.7770000              3.16203165E-03   
  8  18542.9820000              8.73786332E-03   
  9   8067.8727000              2.16514299E-02   
 10   3708.6113000              4.75129997E-02   
 11   1780.5116000              8.71088025E-02   
 12    883.9615700              1.12177605E-01   
 13    450.0462100              2.08384691E-02   
 14    233.3914900             -3.15238388E-01   
 15    122.6356100             -6.49469633E-01   
 16     65.0278260             -1.34945399E-01   
 17     34.6926010              8.26981197E-01   
 18     18.5823030              5.21231273E-01   
 19      9.9779478              5.90687563E-02   
 20      5.3657299              4.85150910E-03   
 21      2.8879084             -1.78728075E-03   
 22      1.5550123              9.16592669E-04   
 23      0.83749239            -7.67721887E-04   
 24      0.45109815             4.82062034E-04   
 25      0.24298423            -2.96112988E-04   
 26      0.13088522             1.64112599E-04   
 27      0.70502499E-01        -6.78947994E-05   
 28      0.37976823E-01         1.59395935E-05   
S   28
  1 89054877.0000000           -2.57869283E-07   
  2 18260407.0000000           -1.42790775E-06   
  3 4321596.7000000            -8.08187825E-06   
  4 1168814.9000000            -3.73711596E-05   
  5 357103.8700000             -1.49149928E-04   
  6 121675.4200000             -5.18869941E-04   
  7  45605.7770000             -1.59916237E-03   
  8  18542.9820000             -4.42372809E-03   
  9   8067.8727000             -1.09855226E-02   
 10   3708.6113000             -2.42194701E-02   
 11   1780.5116000             -4.48106494E-02   
 12    883.9615700             -5.86953042E-02   
 13    450.0462100             -1.12484112E-02   
 14    233.3914900              1.81774816E-01   
 15    122.6356100              4.11213493E-01   
 16     65.0278260              9.48026984E-02   
 17     34.6926010             -9.24526791E-01   
 18     18.5823030             -7.44752278E-01   
 19      9.9779478              6.81364220E-01   
 20      5.3657299              8.51479189E-01   
 21      2.8879084              1.25126643E-01   
 22      1.5550123              2.15995512E-02   
 23      0.83749239            -9.91334844E-03   
 24      0.45109815             7.76549339E-03   
 25      0.24298423            -5.05235752E-03   
 26      0.13088522             2.78876438E-03   
 27      0.70502499E-01        -1.20118607E-03   
 28      0.37976823E-01         2.81533511E-04   
S   28
  1 89054877.0000000           -1.16882408E-07   
  2 18260407.0000000           -6.47410727E-07   
  3 4321596.7000000            -3.66295892E-06   
  4 1168814.9000000            -1.69448459E-05   
  5 357103.8700000             -6.75962024E-05   
  6 121675.4200000             -2.35303093E-04   
  7  45605.7770000             -7.24764049E-04   
  8  18542.9820000             -2.00725171E-03   
  9   8067.8727000             -4.98141650E-03   
 10   3708.6113000             -1.10128392E-02   
 11   1780.5116000             -2.03742013E-02   
 12    883.9615700             -2.69157705E-02   
 13    450.0462100             -4.99473712E-03   
 14    233.3914900              8.46885194E-02   
 15    122.6356100              1.98446196E-01   
 16     65.0278260              4.52211205E-02   
 17     34.6926010             -5.08296755E-01   
 18     18.5823030             -4.48079900E-01   
 19      9.9779478              5.28646573E-01   
 20      5.3657299              1.09427746E+00   
 21      2.8879084             -8.28665124E-02   
 22      1.5550123             -9.04592080E-01   
 23      0.83749239            -4.80768420E-01   
 24      0.45109815            -3.31358280E-02   
 25      0.24298423            -1.07046508E-02   
 26      0.13088522             4.60532302E-03   
 27      0.70502499E-01        -2.27124878E-03   
 28      0.37976823E-01         5.09643988E-04   
S   28
  1 89054877.0000000            4.01414840E-08   
  2 18260407.0000000            2.22395098E-07   
  3 4321596.7000000             1.25791916E-06   
  4 1168814.9000000             5.82100385E-06   
  5 357103.8700000              2.32125000E-05   
  6 121675.4200000              8.08399516E-05   
  7  45605.7770000              2.48863836E-04   
  8  18542.9820000              6.89761312E-04   
  9   8067.8727000              1.71038045E-03   
 10   3708.6113000              3.78691748E-03   
 11   1780.5116000              6.99628276E-03   
 12    883.9615700              9.28111440E-03   
 13    450.0462100              1.67068410E-03   
 14    233.3914900             -2.91589643E-02   
 15    122.6356100             -6.92193979E-02   
 16     65.0278260             -1.52361855E-02   
 17     34.6926010              1.80422206E-01   
 18     18.5823030              1.65621482E-01   
 19      9.9779478             -2.06586428E-01   
 20      5.3657299             -4.63960441E-01   
 21      2.8879084              6.18579768E-02   
 22      1.5550123              5.32243630E-01   
 23      0.83749239             5.07038447E-01   
 24      0.45109815            -9.60774695E-02   
 25      0.24298423            -5.33853143E-01   
 26      0.13088522            -5.26989184E-01   
 27      0.70502499E-01        -1.81720781E-01   
 28      0.37976823E-01        -1.40496874E-02   
P   24
  1 357103.8700000              1.27779160E-05   
  2 121675.4200000              5.97956113E-05   
  3  45605.7770000              3.19378182E-04   
  4  18542.9820000              1.38036215E-03   
  5   8067.8727000              5.33644030E-03   
  6   3708.6113000              1.81373618E-02   
  7   1780.5116000              5.42098292E-02   
  8    883.9615700              1.36778736E-01   
  9    450.0462100              2.70272884E-01   
 10    233.3914900              3.62247627E-01   
 11    122.6356100              2.55440359E-01   
 12     65.0278260              6.58532356E-02   
 13     34.6926010              3.36148630E-03   
 14     18.5823030             -3.70419049E-06   
 15      9.9779478             -5.92043770E-05   
 16      5.3657299             -6.81885137E-05   
 17      2.8879084              5.37060013E-05   
 18      1.5550123             -3.33405006E-05   
 19      0.83749239             2.87249682E-05   
 20      0.45109815            -1.88341811E-05   
 21      0.24298423             1.22217502E-05   
 22      0.13088522            -7.02541095E-06   
 23      0.70502499E-01         3.12642915E-06   
 24      0.37976823E-01        -8.19779119E-07   
P   24
  1 357103.8700000              6.49989618E-06   
  2 121675.4200000              3.01905329E-05   
  3  45605.7770000              1.62716663E-04   
  4  18542.9820000              7.00778121E-04   
  5   8067.8727000              2.74069835E-03   
  6   3708.6113000              9.38700391E-03   
  7   1780.5116000              2.88759120E-02   
  8    883.9615700              7.57350772E-02   
  9    450.0462100              1.60338611E-01   
 10    233.3914900              2.25846847E-01   
 11    122.6356100              8.73404101E-02   
 12     65.0278260             -3.48290467E-01   
 13     34.6926010             -5.52475494E-01   
 14     18.5823030             -2.25401816E-01   
 15      9.9779478             -2.58625748E-02   
 16      5.3657299              1.25236347E-04   
 17      2.8879084             -8.60588876E-04   
 18      1.5550123              8.01059379E-04   
 19      0.83749239            -5.11367025E-04   
 20      0.45109815             3.72335056E-04   
 21      0.24298423            -2.40734384E-04   
 22      0.13088522             1.37213505E-04   
 23      0.70502499E-01        -6.22289020E-05   
 24      0.37976823E-01         1.60934021E-05   
P   24
  1 357103.8700000              3.28034578E-06   
  2 121675.4200000              1.51080899E-05   
  3  45605.7770000              8.21407321E-05   
  4  18542.9820000              3.51579212E-04   
  5   8067.8727000              1.38511721E-03   
  6   3708.6113000              4.73395716E-03   
  7   1780.5116000              1.47175799E-02   
  8    883.9615700              3.88311467E-02   
  9    450.0462100              8.40261097E-02   
 10    233.3914900              1.19400243E-01   
 11    122.6356100              3.40101577E-02   
 12     65.0278260             -2.81766147E-01   
 13     34.6926010             -4.75519476E-01   
 14     18.5823030              3.27311487E-02   
 15      9.9779478              6.26817268E-01   
 16      5.3657299              4.56325068E-01   
 17      2.8879084              6.95325555E-02   
 18      1.5550123              1.06417389E-02   
 19      0.83749239            -4.21806284E-03   
 20      0.45109815             3.30151759E-03   
 21      0.24298423            -2.19742810E-03   
 22      0.13088522             1.25313067E-03   
 23      0.70502499E-01        -5.78029550E-04   
 24      0.37976823E-01         1.49776603E-04   
P   24
  1 357103.8700000              1.42523556E-06   
  2 121675.4200000              6.48514274E-06   
  3  45605.7770000              3.56843534E-05   
  4  18542.9820000              1.51289536E-04   
  5   8067.8727000              6.01196284E-04   
  6   3708.6113000              2.04137670E-03   
  7   1780.5116000              6.39714269E-03   
  8    883.9615700              1.68134406E-02   
  9    450.0462100              3.67809379E-02   
 10    233.3914900              5.19417605E-02   
 11    122.6356100              1.41909016E-02   
 12     65.0278260             -1.37053961E-01   
 13     34.6926010             -2.29234259E-01   
 14     18.5823030              4.65616980E-02   
 15      9.9779478              4.52923571E-01   
 16      5.3657299              3.60235256E-01   
 17      2.8879084             -3.28014906E-01   
 18      1.5550123             -6.00331939E-01   
 19      0.83749239            -3.17709756E-01   
 20      0.45109815            -4.28112815E-02   
 21      0.24298423            -8.88344749E-03   
 22      0.13088522             2.11640825E-03   
 23      0.70502499E-01        -1.56442292E-03   
 24      0.37976823E-01         3.32591241E-04   
P   24
  1 357103.8700000              4.18791813E-07   
  2 121675.4200000              1.89705914E-06   
  3  45605.7770000              1.04848821E-05   
  4  18542.9820000              4.42946812E-05   
  5   8067.8727000              1.76569251E-04   
  6   3708.6113000              5.98017816E-04   
  7   1780.5116000              1.87901626E-03   
  8    883.9615700              4.92914538E-03   
  9    450.0462100              1.08174551E-02   
 10    233.3914900              1.52304028E-02   
 11    122.6356100              4.17855273E-03   
 12     65.0278260             -4.10877972E-02   
 13     34.6926010             -6.82333781E-02   
 14     18.5823030              1.50289627E-02   
 15      9.9779478              1.46289197E-01   
 16      5.3657299              1.14223145E-01   
 17      2.8879084             -1.37700657E-01   
 18      1.5550123             -2.61428175E-01   
 19      0.83749239            -1.68488983E-01   
 20      0.45109815             1.39707014E-01   
 21      0.24298423             3.71082583E-01   
 22      0.13088522             4.10804548E-01   
 23      0.70502499E-01         2.29406991E-01   
 24      0.37976823E-01         5.52251802E-02   
D   18
  1  18542.9820000              2.56162904E-05   
  2   8067.8727000              1.10288448E-04   
  3   3708.6113000              6.27846020E-04   
  4   1780.5116000              2.81033345E-03   
  5    883.9615700              1.16423006E-02   
  6    450.0462100              4.04664917E-02   
  7    233.3914900              1.16990524E-01   
  8    122.6356100              2.53575835E-01   
  9     65.0278260              3.72788140E-01   
 10     34.6926010              2.97836102E-01   
 11     18.5823030              9.93714564E-02   
 12      9.9779478              1.21489636E-02   
 13      5.3657299              1.19461726E-04   
 14      2.8879084              4.36257044E-04   
 15      1.5550123             -2.64247827E-04   
 16      0.83749239             1.56906351E-04   
 17      0.45109815            -7.60136552E-05   
 18      0.24298423             2.24492133E-05   
D   18
  1  18542.9820000             -1.37728477E-05   
  2   8067.8727000             -5.71568397E-05   
  3   3708.6113000             -3.36839486E-04   
  4   1780.5116000             -1.48322552E-03   
  5    883.9615700             -6.27577398E-03   
  6    450.0462100             -2.18643776E-02   
  7    233.3914900             -6.50292730E-02   
  8    122.6356100             -1.41873500E-01   
  9     65.0278260             -2.00634827E-01   
 10     34.6926010             -6.51022907E-02   
 11     18.5823030              2.78960408E-01   
 12      9.9779478              4.76992399E-01   
 13      5.3657299              3.06859491E-01   
 14      2.8879084              6.89880036E-02   
 15      1.5550123              7.56017737E-03   
 16      0.83749239            -9.66587266E-04   
 17      0.45109815             5.80526309E-04   
 18      0.24298423            -2.09593258E-04   
D   18
  1  18542.9820000              5.25908067E-06   
  2   8067.8727000              2.10259972E-05   
  3   3708.6113000              1.28049590E-04   
  4   1780.5116000              5.53084235E-04   
  5    883.9615700              2.37538945E-03   
  6    450.0462100              8.21973945E-03   
  7    233.3914900              2.47257957E-02   
  8    122.6356100              5.37270617E-02   
  9     65.0278260              7.59507381E-02   
 10     34.6926010              1.31954384E-02   
 11     18.5823030             -1.38528132E-01   
 12      9.9779478             -2.32465426E-01   
 13      5.3657299             -8.37601374E-02   
 14      2.8879084              2.60655015E-01   
 15      1.5550123              4.26579020E-01   
 16      0.83749239             3.40253689E-01   
 17      0.45109815             1.29012445E-01   
 18      0.24298423             3.48458341E-02   
F   12
  1   1780.5116000              6.19563026E-05   
  2    883.9615700              2.73842049E-04   
  3    450.0462100              1.56121404E-03   
  4    233.3914900              7.05228934E-03   
  5    122.6356100              2.74729545E-02   
  6     65.0278260              8.24472124E-02   
  7     34.6926010              1.89936035E-01   
  8     18.5823030              3.02329079E-01   
  9      9.9779478              3.32554117E-01   
 10      5.3657299              2.40839225E-01   
 11      2.8879084              9.73124899E-02   
 12      1.5550123              2.52379839E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: At
data:
ASTATINE
S   28
  1 92596223.0000000            3.11131056E-06   
  2 19516300.0000000            1.64971322E-05   
  3 4704109.0000000             9.20440766E-05   
  4 1285396.9000000             4.21555338E-04   
  5 394156.9800000              1.68072292E-03   
  6 134109.5300000              5.85022419E-03   
  7  50020.4060000              1.79899197E-02   
  8  20198.4820000              4.88362260E-02   
  9   8722.0802000              1.15169178E-01   
 10   3980.6634000              2.24701834E-01   
 11   1899.5546000              3.27078939E-01   
 12    938.7987000              2.88495583E-01   
 13    476.6244600              1.07576563E-01   
 14    246.9027400              8.45777620E-03   
 15    129.7946000              7.17682352E-04   
 16     68.9476150             -4.41061659E-04   
 17     36.8899800              2.42629892E-04   
 18     19.8329240             -2.02039233E-04   
 19     10.6957600              1.54170084E-04   
 20      5.7792186             -1.06862499E-04   
 21      3.1262002              7.83260052E-05   
 22      1.6921404             -5.68750580E-05   
 23      0.91621247             3.96654502E-05   
 24      0.49616004            -2.68210885E-05   
 25      0.26870430             1.68592546E-05   
 26      0.14552478            -9.21885652E-06   
 27      0.78813725E-01         3.86011118E-06   
 28      0.42684207E-01        -8.96300169E-07   
S   28
  1 92596223.0000000            1.03979920E-06   
  2 19516300.0000000            5.51307537E-06   
  3 4704109.0000000             3.07670675E-05   
  4 1285396.9000000             1.40964011E-04   
  5 394156.9800000              5.62944676E-04   
  6 134109.5300000              1.96752214E-03   
  7  50020.4060000              6.11708581E-03   
  8  20198.4820000              1.70264014E-02   
  9   8722.0802000              4.24326717E-02   
 10   3980.6634000              9.25664444E-02   
 11   1899.5546000              1.66857120E-01   
 12    938.7987000              2.06396697E-01   
 13    476.6244600              5.31614034E-02   
 14    246.9027400             -3.71989639E-01   
 15    129.7946000             -5.68192573E-01   
 16     68.9476150             -2.30230943E-01   
 17     36.8899800             -1.51714295E-02   
 18     19.8329240             -1.32708030E-03   
 19     10.6957600              8.96805884E-04   
 20      5.7792186             -3.44685010E-04   
 21      3.1262002              2.38871864E-04   
 22      1.6921404             -1.77057962E-04   
 23      0.91621247             1.10001155E-04   
 24      0.49616004            -7.34894030E-05   
 25      0.26870430             4.59057805E-05   
 26      0.14552478            -2.46762609E-05   
 27      0.78813725E-01         1.03584491E-05   
 28      0.42684207E-01        -2.39170618E-06   
S   28
  1 92596223.0000000            4.96849745E-07   
  2 19516300.0000000            2.63498900E-06   
  3 4704109.0000000             1.47010489E-05   
  4 1285396.9000000             6.73827962E-05   
  5 394156.9800000              2.69055398E-04   
  6 134109.5300000              9.41413647E-04   
  7  50020.4060000              2.93016261E-03   
  8  20198.4820000              8.19384228E-03   
  9   8722.0802000              2.05789199E-02   
 10   3980.6634000              4.57614261E-02   
 11   1899.5546000              8.53440364E-02   
 12    938.7987000              1.13052351E-01   
 13    476.6244600              3.08715508E-02   
 14    246.9027400             -2.94854961E-01   
 15    129.7946000             -6.45580206E-01   
 16     68.9476150             -1.88449595E-01   
 17     36.8899800              7.98643530E-01   
 18     19.8329240              5.60506994E-01   
 19     10.6957600              7.04996760E-02   
 20      5.7792186              6.44119633E-03   
 21      3.1262002             -2.71532631E-03   
 22      1.6921404              1.64176930E-03   
 23      0.91621247            -1.32561111E-03   
 24      0.49616004             8.69575088E-04   
 25      0.26870430            -5.41470142E-04   
 26      0.14552478             3.00639991E-04   
 27      0.78813725E-01        -1.24805543E-04   
 28      0.42684207E-01         2.91541723E-05   
S   28
  1 92596223.0000000           -2.51954032E-07   
  2 19516300.0000000           -1.33614945E-06   
  3 4704109.0000000            -7.45507987E-06   
  4 1285396.9000000            -3.41690642E-05   
  5 394156.9800000             -1.36453047E-04   
  6 134109.5300000             -4.77479135E-04   
  7  50020.4060000             -1.48693611E-03   
  8  20198.4820000             -4.16151048E-03   
  9   8722.0802000             -1.04758732E-02   
 10   3980.6634000             -2.33932321E-02   
 11   1899.5546000             -4.40355068E-02   
 12    938.7987000             -5.92635985E-02   
 13    476.6244600             -1.67784061E-02   
 14    246.9027400              1.70259318E-01   
 15    129.7946000              4.07773554E-01   
 16     68.9476150              1.35991545E-01   
 17     36.8899800             -8.81058031E-01   
 18     19.8329240             -8.12513070E-01   
 19     10.6957600              6.09762681E-01   
 20      5.7792186              8.93396069E-01   
 21      3.1262002              1.54251737E-01   
 22      1.6921404              2.17381941E-02   
 23      0.91621247            -8.87592711E-03   
 24      0.49616004             7.17314137E-03   
 25      0.26870430            -4.72491243E-03   
 26      0.14552478             2.59149367E-03   
 27      0.78813725E-01        -1.11933434E-03   
 28      0.42684207E-01         2.60540328E-04   
S   28
  1 92596223.0000000           -1.15708620E-07   
  2 19516300.0000000           -6.13751388E-07   
  3 4704109.0000000            -3.42354142E-06   
  4 1285396.9000000            -1.56958533E-05   
  5 394156.9800000             -6.26608205E-05   
  6 134109.5300000             -2.19359942E-04   
  7  50020.4060000             -6.82856096E-04   
  8  20198.4820000             -1.91275677E-03   
  9   8722.0802000             -4.81379801E-03   
 10   3980.6634000             -1.07729407E-02   
 11   1899.5546000             -2.02933513E-02   
 12    938.7987000             -2.75011607E-02   
 13    476.6244600             -7.70910971E-03   
 14    246.9027400              8.04610385E-02   
 15    129.7946000              1.98872135E-01   
 16     68.9476150              6.76065565E-02   
 17     36.8899800             -4.91071713E-01   
 18     19.8329240             -4.92443396E-01   
 19     10.6957600              4.69798979E-01   
 20      5.7792186              1.13817612E+00   
 21      3.1262002              5.05966766E-03   
 22      1.6921404             -9.23097984E-01   
 23      0.91621247            -5.13411755E-01   
 24      0.49616004            -3.85868657E-02   
 25      0.26870430            -1.09294674E-02   
 26      0.14552478             4.31655080E-03   
 27      0.78813725E-01        -2.21896016E-03   
 28      0.42684207E-01         4.84136126E-04   
S   28
  1 92596223.0000000           -4.12818971E-08   
  2 19516300.0000000           -2.19021950E-07   
  3 4704109.0000000            -1.22136613E-06   
  4 1285396.9000000            -5.60135955E-06   
  5 394156.9800000             -2.23536053E-05   
  6 134109.5300000             -7.82889040E-05   
  7  50020.4060000             -2.43585455E-04   
  8  20198.4820000             -6.82799747E-04   
  9   8722.0802000             -1.71709707E-03   
 10   3980.6634000             -3.84807737E-03   
 11   1899.5546000             -7.23995746E-03   
 12    938.7987000             -9.84930141E-03   
 13    476.6244600             -2.71127286E-03   
 14    246.9027400              2.87843003E-02   
 15    129.7946000              7.20612430E-02   
 16     68.9476150              2.40334116E-02   
 17     36.8899800             -1.81245188E-01   
 18     19.8329240             -1.88970944E-01   
 19     10.6957600              1.90822649E-01   
 20      5.7792186              5.02519070E-01   
 21      3.1262002             -1.91760156E-02   
 22      1.6921404             -5.67663044E-01   
 23      0.91621247            -5.61862668E-01   
 24      0.49616004             1.11395618E-01   
 25      0.26870430             5.61374273E-01   
 26      0.14552478             5.25155066E-01   
 27      0.78813725E-01         1.69829110E-01   
 28      0.42684207E-01         1.28542623E-02   
P   24
  1 394156.9800000              1.12115821E-05   
  2 134109.5300000              5.28524533E-05   
  3  50020.4060000              2.85417704E-04   
  4  20198.4820000              1.25304591E-03   
  5   8722.0802000              4.91906523E-03   
  6   3980.6634000              1.69754029E-02   
  7   1899.5546000              5.14276298E-02   
  8    938.7987000              1.31540053E-01   
  9    476.6244600              2.63843132E-01   
 10    246.9027400              3.61560054E-01   
 11    129.7946000              2.64524459E-01   
 12     68.9476150              7.27413409E-02   
 13     36.8899800              4.10999910E-03   
 14     19.8329240              6.75612818E-05   
 15     10.6957600             -1.05441308E-04   
 16      5.7792186             -4.09809505E-05   
 17      3.1262002              3.30271046E-05   
 18      1.6921404             -1.82708956E-05   
 19      0.91621247             1.87777705E-05   
 20      0.49616004            -1.21042043E-05   
 21      0.26870430             7.91688205E-06   
 22      0.14552478            -4.61714156E-06   
 23      0.78813725E-01         2.01810534E-06   
 24      0.42684207E-01        -5.35215194E-07   
P   24
  1 394156.9800000              5.71132605E-06   
  2 134109.5300000              2.67316570E-05   
  3  50020.4060000              1.45596533E-04   
  4  20198.4820000              6.37118029E-04   
  5   8722.0802000              2.52844805E-03   
  6   3980.6634000              8.79262645E-03   
  7   1899.5546000              2.73845816E-02   
  8    938.7987000              7.27765992E-02   
  9    476.6244600              1.56216097E-01   
 10    246.9027400              2.25958429E-01   
 11    129.7946000              1.01823741E-01   
 12     68.9476150             -3.24037271E-01   
 13     36.8899800             -5.56331551E-01   
 14     19.8329240             -2.45298715E-01   
 15     10.6957600             -3.03298507E-02   
 16      5.7792186             -3.27489794E-04   
 17      3.1262002             -6.51760972E-04   
 18      1.6921404              6.48870501E-04   
 19      0.91621247            -3.94772566E-04   
 20      0.49616004             2.93341556E-04   
 21      0.26870430            -1.90615046E-04   
 22      0.14552478             1.07800271E-04   
 23      0.78813725E-01        -4.92032371E-05   
 24      0.42684207E-01         1.25391246E-05   
P   24
  1 394156.9800000              2.89300825E-06   
  2 134109.5300000              1.34359003E-05   
  3  50020.4060000              7.37623113E-05   
  4  20198.4820000              3.21009563E-04   
  5   8722.0802000              1.28236940E-03   
  6   3980.6634000              4.45228652E-03   
  7   1899.5546000              1.40037643E-02   
  8    938.7987000              3.74536259E-02   
  9    476.6244600              8.20983053E-02   
 10    246.9027400              1.20063787E-01   
 11    129.7946000              4.33233758E-02   
 12     68.9476150             -2.63533066E-01   
 13     36.8899800             -4.81997602E-01   
 14     19.8329240             -1.04604962E-02   
 15     10.6957600              6.10218192E-01   
 16      5.7792186              4.83620653E-01   
 17      3.1262002              8.24878766E-02   
 18      1.6921404              1.14372544E-02   
 19      0.91621247            -4.14946093E-03   
 20      0.49616004             3.29560709E-03   
 21      0.26870430            -2.21961058E-03   
 22      0.14552478             1.25229658E-03   
 23      0.78813725E-01        -5.84538886E-04   
 24      0.42684207E-01         1.48589601E-04   
P   24
  1 394156.9800000              1.27732880E-06   
  2 134109.5300000              5.86458011E-06   
  3  50020.4060000              3.25603072E-05   
  4  20198.4820000              1.40460404E-04   
  5   8722.0802000              5.65555812E-04   
  6   3980.6634000              1.95211477E-03   
  7   1899.5546000              6.18483636E-03   
  8    938.7987000              1.64881543E-02   
  9    476.6244600              3.65125487E-02   
 10    246.9027400              5.31435629E-02   
 11    129.7946000              1.86521673E-02   
 12     68.9476150             -1.30373258E-01   
 13     36.8899800             -2.37226557E-01   
 14     19.8329240              2.29269968E-02   
 15     10.6957600              4.46847933E-01   
 16      5.7792186              3.97002975E-01   
 17      3.1262002             -2.98777603E-01   
 18      1.6921404             -6.15458317E-01   
 19      0.91621247            -3.31516102E-01   
 20      0.49616004            -4.51688907E-02   
 21      0.26870430            -9.47488100E-03   
 22      0.14552478             1.75801295E-03   
 23      0.78813725E-01        -1.75693227E-03   
 24      0.42684207E-01         2.85672211E-04   
P   24
  1 394156.9800000              3.97891002E-07   
  2 134109.5300000              1.81767154E-06   
  3  50020.4060000              1.01413726E-05   
  4  20198.4820000              4.35789822E-05   
  5   8722.0802000              1.76059253E-04   
  6   3980.6634000              6.06041525E-04   
  7   1899.5546000              1.92552743E-03   
  8    938.7987000              5.12280433E-03   
  9    476.6244600              1.13827331E-02   
 10    246.9027400              1.65161979E-02   
 11    129.7946000              5.82933233E-03   
 12     68.9476150             -4.14903557E-02   
 13     36.8899800             -7.49288003E-02   
 14     19.8329240              8.27722176E-03   
 15     10.6957600              1.53670004E-01   
 16      5.7792186              1.34771805E-01   
 17      3.1262002             -1.35638235E-01   
 18      1.6921404             -2.90360131E-01   
 19      0.91621247            -1.86410096E-01   
 20      0.49616004             1.62402341E-01   
 21      0.26870430             3.86043683E-01   
 22      0.14552478             4.03554260E-01   
 23      0.78813725E-01         2.16284783E-01   
 24      0.42684207E-01         5.18832816E-02   
D   18
  1  20198.4820000              2.24867859E-05   
  2   8722.0802000              9.94726346E-05   
  3   3980.6634000              5.74347435E-04   
  4   1899.5546000              2.60900507E-03   
  5    938.7987000              1.09395335E-02   
  6    476.6244600              3.84151834E-02   
  7    246.9027400              1.12170036E-01   
  8    129.7946000              2.46244680E-01   
  9     68.9476150              3.69147000E-01   
 10     36.8899800              3.05642860E-01   
 11     19.8329240              1.07911707E-01   
 12     10.6957600              1.40808636E-02   
 13      5.7792186              2.19542446E-04   
 14      3.1262002              4.32286101E-04   
 15      1.6921404             -2.58256157E-04   
 16      0.91621247             1.52823316E-04   
 17      0.49616004            -7.35754143E-05   
 18      0.26870430             2.18548030E-05   
D   18
  1  20198.4820000             -1.21711611E-05   
  2   8722.0802000             -5.18361358E-05   
  3   3980.6634000             -3.09969230E-04   
  4   1899.5546000             -1.38477834E-03   
  5    938.7987000             -5.93018072E-03   
  6    476.6244600             -2.08679675E-02   
  7    246.9027400             -6.26746212E-02   
  8    129.7946000             -1.38666149E-01   
  9     68.9476150             -2.01166086E-01   
 10     36.8899800             -7.86805331E-02   
 11     19.8329240              2.60584900E-01   
 12     10.6957600              4.75529485E-01   
 13      5.7792186              3.21384758E-01   
 14      3.1262002              7.67249569E-02   
 15      1.6921404              8.49449370E-03   
 16      0.91621247            -9.83171496E-04   
 17      0.49616004             5.80326661E-04   
 18      0.26870430            -2.20156245E-04   
D   18
  1  20198.4820000              4.79305643E-06   
  2   8722.0802000              1.96368245E-05   
  3   3980.6634000              1.21443790E-04   
  4   1899.5546000              5.31995307E-04   
  5    938.7987000              2.31298250E-03   
  6    476.6244600              8.08304435E-03   
  7    246.9027400              2.45576573E-02   
  8    129.7946000              5.41243107E-02   
  9     68.9476150              7.85969156E-02   
 10     36.8899800              1.96403255E-02   
 11     19.8329240             -1.35135570E-01   
 12     10.6957600             -2.40412622E-01   
 13      5.7792186             -1.00988143E-01   
 14      3.1262002              2.54659250E-01   
 15      1.6921404              4.36567504E-01   
 16      0.91621247             3.43855331E-01   
 17      0.49616004             1.24253102E-01   
 18      0.26870430             3.26240548E-02   
F   12
  1   1899.5546000              5.72097901E-05   
  2    938.7987000              2.56701904E-04   
  3    476.6244600              1.48152247E-03   
  4    246.9027400              6.71720321E-03   
  5    129.7946000              2.63821751E-02   
  6     68.9476150              7.97005209E-02   
  7     36.8899800              1.85367092E-01   
  8     19.8329240              2.99113360E-01   
  9     10.6957600              3.33516944E-01   
 10      5.7792186              2.44852597E-01   
 11      3.1262002              9.99036540E-02   
 12      1.6921404              2.56369879E-02


name: WTBS
description: MB Minimal Basis: 1 Function/AO
elt: Rn
data:
RADON
S   28
  1 98695815.0000000            2.94483336E-06   
  2 21091278.0000000            1.52731174E-05   
  3 5132142.2000000             8.45694320E-05   
  4 1410319.4000000             3.85346183E-04   
  5 433531.6300000              1.53554494E-03   
  6 147500.4300000              5.35904505E-03   
  7  54913.9150000              1.65696367E-02   
  8  22109.1790000              4.53524319E-02   
  9   9514.2752000              1.08235744E-01   
 10   4327.2744000              2.15007938E-01   
 11   2058.6291000              3.22250397E-01   
 12   1014.9288000              2.98837689E-01   
 13    514.3984400              1.21447588E-01   
 14    266.2228400              1.11707762E-02   
 15    139.9233600              8.70524984E-04   
 16     74.3615530             -5.47475604E-04   
 17     39.8261460              3.40754293E-04   
 18     21.4419260             -2.87602153E-04   
 19     11.5836860              2.20598992E-04   
 20      6.2713843             -1.56947223E-04   
 21      3.3996865              1.15847162E-04   
 22      1.8442936             -8.42378641E-05   
 23      1.0008923              5.89781407E-05   
 24      0.54328083            -3.98956965E-05   
 25      0.29491399             2.50696525E-05   
 26      0.16009530            -1.36933643E-05   
 27      0.86909090E-01         5.72166754E-06   
 28      0.47179407E-01        -1.32502107E-06   
S   28
  1 98695815.0000000            9.84723271E-07   
  2 21091278.0000000            5.10677942E-06   
  3 5132142.2000000             2.82845514E-05   
  4 1410319.4000000             1.28919607E-04   
  5 433531.6300000              5.14539990E-04   
  6 147500.4300000              1.80249083E-03   
  7  54913.9150000              5.63098142E-03   
  8  22109.1790000              1.57770990E-02   
  9   9514.2752000              3.96696204E-02   
 10   4327.2744000              8.75816215E-02   
 11   2058.6291000              1.61011468E-01   
 12   1014.9288000              2.07829277E-01   
 13    514.3984400              7.64937609E-02   
 14    266.2228400             -3.36378706E-01   
 15    139.9233600             -5.76121763E-01   
 16     74.3615530             -2.61223579E-01   
 17     39.8261460             -2.05558294E-02   
 18     21.4419260             -1.77482220E-03   
 19     11.5836860              1.22784686E-03   
 20      6.2713843             -5.99240821E-04   
 21      3.3996865              4.43538072E-04   
 22      1.8442936             -3.30278878E-04   
 23      1.0008923              2.18263224E-04   
 24      0.54328083            -1.47313743E-04   
 25      0.29491399             9.26371891E-05   
 26      0.16009530            -5.01707811E-05   
 27      0.86909090E-01         2.10221939E-05   
 28      0.47179407E-01        -4.85559616E-06   
S   28
  1 98695815.0000000            4.71136709E-07   
  2 21091278.0000000            2.44369766E-06   
  3 5132142.2000000             1.35324884E-05   
  4 1410319.4000000             6.16973794E-05   
  5 433531.6300000              2.46241464E-04   
  6 147500.4300000              8.63378951E-04   
  7  54913.9150000              2.70053705E-03   
  8  22109.1790000              7.59769418E-03   
  9   9514.2752000              1.92496563E-02   
 10   4327.2744000              4.32578514E-02   
 11   2058.6291000              8.21985751E-02   
 12   1014.9288000              1.13159515E-01   
 13    514.3984400              4.52435290E-02   
 14    266.2228400             -2.61784043E-01   
 15    139.9233600             -6.35693557E-01   
 16     74.3615530             -2.66716473E-01   
 17     39.8261460              7.52029847E-01   
 18     21.4419260              6.16442035E-01   
 19     11.5836860              8.77286434E-02   
 20      6.2713843              9.14853454E-03   
 21      3.3996865             -4.29551696E-03   
 22      1.8442936              2.88726560E-03   
 23      1.0008923             -2.27453629E-03   
 24      0.54328083             1.53027634E-03   
 25      0.29491399            -9.61440015E-04   
 26      0.16009530             5.33974847E-04   
 27      0.86909090E-01        -2.22379117E-04   
 28      0.47179407E-01         5.18086540E-05   
S   28
  1 98695815.0000000           -2.39716408E-07   
  2 21091278.0000000           -1.24317940E-06   
  3 5132142.2000000            -6.88567534E-06   
  4 1410319.4000000            -3.13873792E-05   
  5 433531.6300000             -1.25306547E-04   
  6 147500.4300000             -4.39300442E-04   
  7  54913.9150000             -1.37506493E-03   
  8  22109.1790000             -3.87054704E-03   
  9   9514.2752000             -9.83158615E-03   
 10   4327.2744000             -2.21709977E-02   
 11   2058.6291000             -4.25345474E-02   
 12   1014.9288000             -5.93799661E-02   
 13    514.3984400             -2.46912727E-02   
 14    266.2228400              1.51185126E-01   
 15    139.9233600              3.99004982E-01   
 16     74.3615530              1.94751905E-01   
 17     39.8261460             -8.12467824E-01   
 18     21.4419260             -8.98589840E-01   
 19     11.5836860              5.10876725E-01   
 20      6.2713843              9.41443752E-01   
 21      3.3996865              1.93786166E-01   
 22      1.8442936              2.12422256E-02   
 23      1.0008923             -6.88220608E-03   
 24      0.54328083             5.93189197E-03   
 25      0.29491399            -3.99016016E-03   
 26      0.16009530             2.16932995E-03   
 27      0.86909090E-01        -9.45486466E-04   
 28      0.47179407E-01         2.19144921E-04   
S   28
  1 98695815.0000000           -1.11476038E-07   
  2 21091278.0000000           -5.78160259E-07   
  3 5132142.2000000            -3.20201826E-06   
  4 1410319.4000000            -1.45974035E-05   
  5 433531.6300000             -5.82710817E-05   
  6 147500.4300000             -2.04321140E-04   
  7  54913.9150000             -6.39514069E-04   
  8  22109.1790000             -1.80087887E-03   
  9   9514.2752000             -4.57562216E-03   
 10   4327.2744000             -1.03328598E-02   
 11   2058.6291000             -1.98569464E-02   
 12   1014.9288000             -2.78562313E-02   
 13    514.3984400             -1.16314467E-02   
 14    266.2228400              7.24555313E-02   
 15    139.9233600              1.96206314E-01   
 16     74.3615530              9.96883203E-02   
 17     39.8261460             -4.58541522E-01   
 18     21.4419260             -5.46498891E-01   
 19     11.5836860              3.86703942E-01   
 20      6.2713843              1.17980558E+00   
 21      3.3996865              1.15913621E-01   
 22      1.8442936             -9.41191433E-01   
 23      1.0008923             -5.49991828E-01   
 24      0.54328083            -4.56412819E-02   
 25      0.29491399            -1.06116336E-02   
 26      0.16009530             3.66783495E-03   
 27      0.86909090E-01        -2.00989692E-03   
 28      0.47179407E-01         4.24837899E-04   
S   28
  1 98695815.0000000           -4.10414653E-08   
  2 21091278.0000000           -2.12903598E-07   
  3 5132142.2000000            -1.17880851E-06   
  4 1410319.4000000            -5.37553965E-06   
  5 433531.6300000             -2.14514317E-05   
  6 147500.4300000             -7.52471705E-05   
  7  54913.9150000             -2.35412366E-04   
  8  22109.1790000             -6.63351022E-04   
  9   9514.2752000             -1.68432029E-03   
 10   4327.2744000             -3.80833525E-03   
 11   2058.6291000             -7.31129643E-03   
 12   1014.9288000             -1.02913887E-02   
 13    514.3984400             -4.25436950E-03   
 14    266.2228400              2.67526953E-02   
 15    139.9233600              7.33252971E-02   
 16     74.3615530              3.69666815E-02   
 17     39.8261460             -1.74780801E-01   
 18     21.4419260             -2.15878177E-01   
 19     11.5836860              1.61628970E-01   
 20      6.2713843              5.38035631E-01   
 21      3.3996865              3.84969208E-02   
 22      1.8442936             -5.98432124E-01   
 23      1.0008923             -6.17639185E-01   
 24      0.54328083             1.21433866E-01   
 25      0.29491399             5.86217655E-01   
 26      0.16009530             5.25076503E-01   
 27      0.86909090E-01         1.59560544E-01   
 28      0.47179407E-01         1.12605537E-02   
P   24
  1 433531.6300000              9.89199134E-06   
  2 147500.4300000              4.67414821E-05   
  3  54913.9150000              2.53553370E-04   
  4  22109.1790000              1.12191711E-03   
  5   9514.2752000              4.44053079E-03   
  6   4327.2744000              1.54811293E-02   
  7   2058.6291000              4.74295075E-02   
  8   1014.9288000              1.23242750E-01   
  9    514.3984400              2.52751091E-01   
 10    266.2228400              3.59308122E-01   
 11    139.9233600              2.79018055E-01   
 12     74.3615530              8.44442786E-02   
 13     39.8261460              5.50161652E-03   
 14     21.4419260              1.90462205E-04   
 15     11.5836860             -1.86433094E-04   
 16      6.2713843              1.16448758E-05   
 17      3.3996865             -7.95603980E-06   
 18      1.8442936              1.16311183E-05   
 19      1.0008923             -1.74881392E-06   
 20      0.54328083             1.88555285E-06   
 21      0.29491399            -9.38971987E-07   
 22      0.16009530             4.78900933E-07   
 23      0.86909090E-01        -2.06732269E-07   
 24      0.47179407E-01         5.15619998E-08   
P   24
  1 433531.6300000              5.04579018E-06   
  2 147500.4300000              2.36831144E-05   
  3  54913.9150000              1.29497358E-04   
  4  22109.1790000              5.71296382E-04   
  5   9514.2752000              2.28418919E-03   
  6   4327.2744000              8.02282698E-03   
  7   2058.6291000              2.52305227E-02   
  8   1014.9288000              6.80424145E-02   
  9    514.3984400              1.49032720E-01   
 10    266.2228400              2.24845197E-01   
 11    139.9233600              1.23498582E-01   
 12     74.3615530             -2.86884563E-01   
 13     39.8261460             -5.61052005E-01   
 14     21.4419260             -2.74899753E-01   
 15     11.5836860             -3.71352517E-02   
 16      6.2713843             -1.15840867E-03   
 17      3.3996865             -2.40254217E-04   
 18      1.8442936              3.35404374E-04   
 19      1.0008923             -1.59091909E-04   
 20      0.54328083             1.31376674E-04   
 21      0.29491399            -8.53559513E-05   
 22      0.16009530             4.86504558E-05   
 23      0.86909090E-01        -2.19781340E-05   
 24      0.47179407E-01         5.67346310E-06   
P   24
  1 433531.6300000              2.56433877E-06   
  2 147500.4300000              1.19593011E-05   
  3  54913.9150000              6.58219273E-05   
  4  22109.1790000              2.89108393E-04   
  5   9514.2752000              1.16233764E-03   
  6   4327.2744000              4.07900899E-03   
  7   2058.6291000              1.29407225E-02   
  8   1014.9288000              3.51387113E-02   
  9    514.3984400              7.84817037E-02   
 10    266.2228400              1.20065660E-01   
 11    139.9233600              5.71935580E-02   
 12     74.3615530             -2.35005249E-01   
 13     39.8261460             -4.88420765E-01   
 14     21.4419260             -6.92313005E-02   
 15     11.5836860              5.86161077E-01   
 16      6.2713843              5.18102929E-01   
 17      3.3996865              9.99806109E-02   
 18      1.8442936              1.22771803E-02   
 19      1.0008923             -3.87867636E-03   
 20      0.54328083             3.15589131E-03   
 21      0.29491399            -2.12847264E-03   
 22      0.16009530             1.22030904E-03   
 23      0.86909090E-01        -5.57266332E-04   
 24      0.47179407E-01         1.44762116E-04   
P   24
  1 433531.6300000              1.15015383E-06   
  2 147500.4300000              5.30818682E-06   
  3  54913.9150000              2.95148349E-05   
  4  22109.1790000              1.28616291E-04   
  5   9514.2752000              5.20762144E-04   
  6   4327.2744000              1.81814403E-03   
  7   2058.6291000              5.80594120E-03   
  8   1014.9288000              1.57245173E-02   
  9    514.3984400              3.54484446E-02   
 10    266.2228400              5.40726615E-02   
 11    139.9233600              2.53664264E-02   
 12     74.3615530             -1.18186360E-01   
 13     39.8261460             -2.45467865E-01   
 14     21.4419260             -1.03205995E-02   
 15     11.5836860              4.33713572E-01   
 16      6.2713843              4.40665787E-01   
 17      3.3996865             -2.60409310E-01   
 18      1.8442936             -6.33308280E-01   
 19      1.0008923             -3.48613024E-01   
 20      0.54328083            -4.78448073E-02   
 21      0.29491399            -8.96299068E-03   
 22      0.16009530             2.29190282E-03   
 23      0.86909090E-01        -1.37783544E-03   
 24      0.47179407E-01         3.53634949E-04   
P   24
  1 433531.6300000              3.73018813E-07   
  2 147500.4300000              1.71186862E-06   
  3  54913.9150000              9.57068064E-06   
  4  22109.1790000              4.15267509E-05   
  5   9514.2752000              1.68762802E-04   
  6   4327.2744000              5.87439807E-04   
  7   2058.6291000              1.88161959E-03   
  8   1014.9288000              5.08476386E-03   
  9    514.3984400              1.15039311E-02   
 10    266.2228400              1.74935880E-02   
 11    139.9233600              8.25959913E-03   
 12     74.3615530             -3.92209590E-02   
 13     39.8261460             -8.08252543E-02   
 14     21.4419260             -2.60660616E-03   
 15     11.5836860              1.55877734E-01   
 16      6.2713843              1.57533377E-01   
 17      3.3996865             -1.26750687E-01   
 18      1.8442936             -3.16907558E-01   
 19      1.0008923             -2.05502500E-01   
 20      0.54328083             1.80429756E-01   
 21      0.29491399             4.02919892E-01   
 22      0.16009530             4.00379215E-01   
 23      0.86909090E-01         2.02812457E-01   
 24      0.47179407E-01         4.49889406E-02   
D   18
  1  22109.1790000              1.95054683E-05   
  2   9514.2752000              8.71824017E-05   
  3   4327.2744000              5.08823847E-04   
  4   2058.6291000              2.33066238E-03   
  5   1014.9288000              9.88539458E-03   
  6    514.3984400              3.51593418E-02   
  7    266.2228400              1.04410977E-01   
  8    139.9233600              2.34699610E-01   
  9     74.3615530              3.63964346E-01   
 10     39.8261460              3.18075976E-01   
 11     21.4419260              1.21040868E-01   
 12     11.5836860              1.70667357E-02   
 13      6.2713843              4.09304247E-04   
 14      3.3996865              4.06798244E-04   
 15      1.8442936             -2.34560665E-04   
 16      1.0008923              1.37836089E-04   
 17      0.54328083            -6.59114155E-05   
 18      0.29491399             1.98578599E-05   
D   18
  1  22109.1790000             -1.06315966E-05   
  2   9514.2752000             -4.56354669E-05   
  3   4327.2744000             -2.76320203E-04   
  4   2058.6291000             -1.24330498E-03   
  5   1014.9288000             -5.38786643E-03   
  6    514.3984400             -1.91892246E-02   
  7    266.2228400             -5.85940185E-02   
  8    139.9233600             -1.32978223E-01   
  9     74.3615530             -2.01239195E-01   
 10     39.8261460             -9.81656443E-02   
 11     21.4419260              2.34878598E-01   
 12     11.5836860              4.73673659E-01   
 13      6.2713843              3.41110689E-01   
 14      3.3996865              8.70932260E-02   
 15      1.8442936              9.73059369E-03   
 16      1.0008923             -9.85463300E-04   
 17      0.54328083             5.75878468E-04   
 18      0.29491399            -2.30456129E-04   
D   18
  1  22109.1790000              4.30820111E-06   
  2   9514.2752000              1.77269048E-05   
  3   4327.2744000              1.11313873E-04   
  4   2058.6291000              4.90364162E-04   
  5   1014.9288000              2.15944497E-03   
  6    514.3984400              7.63309182E-03   
  7    266.2228400              2.35864663E-02   
  8    139.9233600              5.33312116E-02   
  9     74.3615530              8.09471494E-02   
 10     39.8261460              2.92286717E-02   
 11     21.4419260             -1.27530560E-01   
 12     11.5836860             -2.47539299E-01   
 13      6.2713843             -1.23267901E-01   
 14      3.3996865              2.44272005E-01   
 15      1.8442936              4.47303082E-01   
 16      1.0008923              3.49694311E-01   
 17      0.54328083             1.21454316E-01   
 18      0.29491399             3.10263046E-02   
F   12
  1   2058.6291000              5.06826222E-05   
  2   1014.9288000              2.27816843E-04   
  3    514.3984400              1.34079821E-03   
  4    266.2228400              6.10893549E-03   
  5    139.9233600              2.44193016E-02   
  6     74.3615530              7.49886809E-02   
  7     39.8261460              1.78097974E-01   
  8     21.4419260              2.94701565E-01   
  9     11.5836860              3.36005664E-01   
 10      6.2713843              2.52129183E-01   
 11      3.3996865              1.04486313E-01   
 12      1.8442936              2.66013197E-02


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Sc
data:
SCANDIUM
S   1
  1   1830.0372901              1.0000000        
S   1
  1   1013.8193891              1.0000000        
S   1
  1    463.20663265             1.0000000        
S   1
  1    186.05049236             1.0000000        
S   1
  1     83.246008168            1.0000000        
S   1
  1     36.167617817            1.0000000        
S   1
  1     14.786073814            1.0000000        
S   1
  1      4.1453423475           1.0000000        
S   1
  1      2.7161864463           1.0000000        
S   1
  1      1.1884652320           1.0000000        
S   1
  1      0.67359107267          1.0000000        
S   1
  1      0.47361309779          1.0000000        
S   1
  1      0.18287010264          1.0000000        
S   1
  1      0.49056140126E-01            1.0000000        
P   1
  1    595.75135850             1.0000000        
P   1
  1    142.48942717             1.0000000        
P   1
  1     35.286914567            1.0000000        
P   1
  1      9.4383727580           1.0000000        
P   1
  1      6.2396015272           1.0000000        
P   1
  1      2.3900184092           1.0000000        
P   1
  1      1.0184397586           1.0000000        
P   1
  1      0.78822648280          1.0000000        
P   1
  1      0.58596926696          1.0000000        
P   1
  1      0.36304914817          1.0000000        
P   1
  1      0.16434477854          1.0000000        
P   1
  1      0.61770027376E-01            1.0000000        
D   1
  1    133.66038783             1.0000000        
D   1
  1     44.532239476            1.0000000        
D   1
  1     19.155158805            1.0000000        
D   1
  1      9.1687763276           1.0000000        
D   1
  1      3.9163133136           1.0000000        
D   1
  1      1.6724144844           1.0000000        
D   1
  1      0.98028367287          1.0000000        
D   1
  1      0.46611041290          1.0000000        
D   1
  1      0.26476146937          1.0000000        
D   1
  1      0.68141585595E-01            1.0000000        
F   1
  1     26.815326597            1.0000000        
F   1
  1      5.5001976836           1.0000000        
F   1
  1      4.0875656875           1.0000000        
F   1
  1      1.7677368934           1.0000000        
F   1
  1      0.80823652723          1.0000000        
F   1
  1      0.37572993028          1.0000000        
F   1
  1      0.20306562114          1.0000000        
F   1
  1      0.80483020246E-01            1.0000000        
G   1
  1      9.2229316702           1.0000000        
G   1
  1      2.9242846101           1.0000000        
G   1
  1      1.3516577817           1.0000000        
G   1
  1      0.61482583031          1.0000000        
G   1
  1      0.33087334880          1.0000000        
G   1
  1      0.91125837286E-01            1.0000000        
H   1
  1      1.8239692042           1.0000000        
H   1
  1      0.90232479194          1.0000000        
H   1
  1      0.31517280960          1.0000000        
H   1
  1      0.96298978249E-01            1.0000000        
I   1
  1      1.7212714087           1.0000000        
I   1
  1      0.67359001004          1.0000000        
I   1
  1      0.24682550982          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Ti
data:
TITANIUM
S   1
  1   2013.5814729              1.0000000        
S   1
  1   1105.2674140              1.0000000        
S   1
  1    501.78851952             1.0000000        
S   1
  1    198.72908334             1.0000000        
S   1
  1     87.714264174            1.0000000        
S   1
  1     37.923145568            1.0000000        
S   1
  1     15.927715660            1.0000000        
S   1
  1      6.6279991059           1.0000000        
S   1
  1      2.3109590026           1.0000000        
S   1
  1      1.1765696382           1.0000000        
S   1
  1      0.83332777241          1.0000000        
S   1
  1      0.42294064848          1.0000000        
S   1
  1      0.17454756101          1.0000000        
S   1
  1      0.57125629791E-01            1.0000000        
P   1
  1    654.34497399             1.0000000        
P   1
  1    180.32694132             1.0000000        
P   1
  1     52.328915403            1.0000000        
P   1
  1     18.735871948            1.0000000        
P   1
  1      8.9708506491           1.0000000        
P   1
  1      4.9905749471           1.0000000        
P   1
  1      2.2438275109           1.0000000        
P   1
  1      0.99955856451          1.0000000        
P   1
  1      0.58907501802          1.0000000        
P   1
  1      0.39052672074          1.0000000        
P   1
  1      0.23507091412          1.0000000        
P   1
  1      0.93268220835E-01            1.0000000        
D   1
  1    150.28356216             1.0000000        
D   1
  1     43.447429287            1.0000000        
D   1
  1     16.748652461            1.0000000        
D   1
  1      8.4293435794           1.0000000        
D   1
  1      3.6203775199           1.0000000        
D   1
  1      1.7045739577           1.0000000        
D   1
  1      1.0080405427           1.0000000        
D   1
  1      0.52441768655          1.0000000        
D   1
  1      0.23581507541          1.0000000        
D   1
  1      0.74195692535E-01            1.0000000        
F   1
  1     41.897863649            1.0000000        
F   1
  1     19.226986401            1.0000000        
F   1
  1      4.6956330907           1.0000000        
F   1
  1      2.1444041365           1.0000000        
F   1
  1      1.0645968279           1.0000000        
F   1
  1      0.49727730582          1.0000000        
F   1
  1      0.21121000480          1.0000000        
F   1
  1      0.62667161848E-01            1.0000000        
G   1
  1      8.2099511725           1.0000000        
G   1
  1      2.5238279871           1.0000000        
G   1
  1      1.3963959519           1.0000000        
G   1
  1      0.75266327515          1.0000000        
G   1
  1      0.33249693488          1.0000000        
G   1
  1      0.64532521256E-01            1.0000000        
H   1
  1      2.9588394617           1.0000000        
H   1
  1      1.3699053315           1.0000000        
H   1
  1      0.58842615866          1.0000000        
H   1
  1      0.16510428531          1.0000000        
I   1
  1      1.4462058107           1.0000000        
I   1
  1      0.49181647167          1.0000000        
I   1
  1      0.15288658357          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: V
data:
VANADIUM
S   1
  1   1998.9716195              1.0000000        
S   1
  1   1097.8673155              1.0000000        
S   1
  1    498.33315656             1.0000000        
S   1
  1    197.71811644             1.0000000        
S   1
  1     87.107998323            1.0000000        
S   1
  1     37.291056163            1.0000000        
S   1
  1     13.829005789            1.0000000        
S   1
  1      6.2573125706           1.0000000        
S   1
  1      2.6545814028           1.0000000        
S   1
  1      0.98076992050          1.0000000        
S   1
  1      0.62772395163          1.0000000        
S   1
  1      0.21112393506          1.0000000        
S   1
  1      0.16819370253          1.0000000        
S   1
  1      0.10097012277          1.0000000        
P   1
  1    651.51731342             1.0000000        
P   1
  1    178.76054283             1.0000000        
P   1
  1     45.882604530            1.0000000        
P   1
  1     17.934907727            1.0000000        
P   1
  1      8.5028837138           1.0000000        
P   1
  1      4.9875309129           1.0000000        
P   1
  1      2.4985806081           1.0000000        
P   1
  1      1.0312113374           1.0000000        
P   1
  1      0.61386614124          1.0000000        
P   1
  1      0.32392548305          1.0000000        
P   1
  1      0.21436798875          1.0000000        
P   1
  1      0.61726027149E-01            1.0000000        
D   1
  1    149.30578023             1.0000000        
D   1
  1     45.293174370            1.0000000        
D   1
  1     20.175570595            1.0000000        
D   1
  1      9.7038224241           1.0000000        
D   1
  1      4.2376950279           1.0000000        
D   1
  1      2.1125023181           1.0000000        
D   1
  1      1.0211447120           1.0000000        
D   1
  1      0.53327423388          1.0000000        
D   1
  1      0.26631085886          1.0000000        
D   1
  1      0.12140285424          1.0000000        
F   1
  1     33.123492051            1.0000000        
F   1
  1      5.7561126112           1.0000000        
F   1
  1      3.1889332507           1.0000000        
F   1
  1      1.5497028553           1.0000000        
F   1
  1      0.82884437373          1.0000000        
F   1
  1      0.42776319283          1.0000000        
F   1
  1      0.25020605977          1.0000000        
F   1
  1      0.78839804389E-01            1.0000000        
G   1
  1     10.066909356            1.0000000        
G   1
  1      3.3366336353           1.0000000        
G   1
  1      1.8599146206           1.0000000        
G   1
  1      0.85441801953          1.0000000        
G   1
  1      0.41386726643          1.0000000        
G   1
  1      0.15245892100          1.0000000        
H   1
  1      3.9668093595           1.0000000        
H   1
  1      1.9902198895           1.0000000        
H   1
  1      0.78720807708          1.0000000        
H   1
  1      0.26417832143          1.0000000        
I   1
  1      3.1711378954           1.0000000        
I   1
  1      1.6625751750           1.0000000        
I   1
  1      0.63573316959          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Cr
data:
CHROMIUM
S   1
  1   1997.8309640              1.0000000        
S   1
  1   1094.9027089              1.0000000        
S   1
  1    495.75444847             1.0000000        
S   1
  1    193.43844540             1.0000000        
S   1
  1     78.765071345            1.0000000        
S   1
  1     30.131500797            1.0000000        
S   1
  1     14.313016207            1.0000000        
S   1
  1      6.5548260635           1.0000000        
S   1
  1      3.9393063334           1.0000000        
S   1
  1      2.0100789019           1.0000000        
S   1
  1      1.0657694966           1.0000000        
S   1
  1      0.64897696751          1.0000000        
S   1
  1      0.36861853385          1.0000000        
S   1
  1      0.11489651564          1.0000000        
P   1
  1    652.96866972             1.0000000        
P   1
  1    175.06745702             1.0000000        
P   1
  1     39.791940104            1.0000000        
P   1
  1     16.068016552            1.0000000        
P   1
  1      6.7809778440           1.0000000        
P   1
  1      4.1302622868           1.0000000        
P   1
  1      2.1700703600           1.0000000        
P   1
  1      1.0124711063           1.0000000        
P   1
  1      0.54682788903          1.0000000        
P   1
  1      0.28931722507          1.0000000        
P   1
  1      0.12864638603          1.0000000        
P   1
  1      0.43082197534E-01            1.0000000        
D   1
  1    148.72213528             1.0000000        
D   1
  1     45.136917200            1.0000000        
D   1
  1     16.923446942            1.0000000        
D   1
  1      5.6694412881           1.0000000        
D   1
  1      3.0332160796           1.0000000        
D   1
  1      1.6131393126           1.0000000        
D   1
  1      0.94385047152          1.0000000        
D   1
  1      0.50087747480          1.0000000        
D   1
  1      0.14858461651          1.0000000        
D   1
  1      0.52146260984E-01            1.0000000        
F   1
  1     37.237009000            1.0000000        
F   1
  1      6.5273348213           1.0000000        
F   1
  1      3.9482575372           1.0000000        
F   1
  1      1.9254781802           1.0000000        
F   1
  1      1.1312413381           1.0000000        
F   1
  1      0.61891216295          1.0000000        
F   1
  1      0.25559464768          1.0000000        
F   1
  1      0.78468579617E-01            1.0000000        
G   1
  1     12.471977067            1.0000000        
G   1
  1      4.1997937331           1.0000000        
G   1
  1      2.5213180841           1.0000000        
G   1
  1      1.1894578741           1.0000000        
G   1
  1      0.64263941342          1.0000000        
G   1
  1      0.21423796126          1.0000000        
H   1
  1      5.1810976014           1.0000000        
H   1
  1      2.5266646403           1.0000000        
H   1
  1      1.1199769662           1.0000000        
H   1
  1      0.44207512449          1.0000000        
I   1
  1      4.1824976184           1.0000000        
I   1
  1      2.1649779872           1.0000000        
I   1
  1      0.94019830176          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Mn
data:
MANGANESE
S   1
  1   2002.6066349              1.0000000        
S   1
  1   1097.8843062              1.0000000        
S   1
  1    497.56704016             1.0000000        
S   1
  1    196.46778137             1.0000000        
S   1
  1     84.873752718            1.0000000        
S   1
  1     32.572535289            1.0000000        
S   1
  1     10.232329573            1.0000000        
S   1
  1      5.2348740715           1.0000000        
S   1
  1      2.5533221583           1.0000000        
S   1
  1      1.2323383646           1.0000000        
S   1
  1      0.65650815191          1.0000000        
S   1
  1      0.35980094424          1.0000000        
S   1
  1      0.14689432162          1.0000000        
S   1
  1      0.55832474412E-01            1.0000000        
P   1
  1    653.76541156             1.0000000        
P   1
  1    183.28146010             1.0000000        
P   1
  1     52.256756362            1.0000000        
P   1
  1     16.738213942            1.0000000        
P   1
  1      9.0189541968           1.0000000        
P   1
  1      4.0827102657           1.0000000        
P   1
  1      1.8044868463           1.0000000        
P   1
  1      1.0176510784           1.0000000        
P   1
  1      0.57629676196          1.0000000        
P   1
  1      0.32567877418          1.0000000        
P   1
  1      0.16032993071          1.0000000        
P   1
  1      0.70235423438E-01            1.0000000        
D   1
  1    148.59713547             1.0000000        
D   1
  1     44.509352668            1.0000000        
D   1
  1     19.950122576            1.0000000        
D   1
  1      6.1613327881           1.0000000        
D   1
  1      3.3890560883           1.0000000        
D   1
  1      1.5231529875           1.0000000        
D   1
  1      0.84564500888          1.0000000        
D   1
  1      0.46821094781          1.0000000        
D   1
  1      0.21060829677          1.0000000        
D   1
  1      0.79605578147E-01            1.0000000        
F   1
  1     41.319260188            1.0000000        
F   1
  1      7.5956241930           1.0000000        
F   1
  1      4.5662527126           1.0000000        
F   1
  1      2.2878596322           1.0000000        
F   1
  1      1.2076174167           1.0000000        
F   1
  1      0.60683169939          1.0000000        
F   1
  1      0.33089631463          1.0000000        
F   1
  1      0.12014239837          1.0000000        
G   1
  1     14.099430547            1.0000000        
G   1
  1      4.9010793353           1.0000000        
G   1
  1      2.6743373910           1.0000000        
G   1
  1      1.2461349621           1.0000000        
G   1
  1      0.67516217891          1.0000000        
G   1
  1      0.26333106147          1.0000000        
H   1
  1      6.0833849554           1.0000000        
H   1
  1      3.0076543930           1.0000000        
H   1
  1      1.2930800963           1.0000000        
H   1
  1      0.47895616768          1.0000000        
I   1
  1      4.2004250123           1.0000000        
I   1
  1      2.2521907663           1.0000000        
I   1
  1      1.0590900816           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Fe
data:
IRON
S   1
  1   2005.9218420              1.0000000        
S   1
  1   1100.9403153              1.0000000        
S   1
  1    503.12013311             1.0000000        
S   1
  1    200.00437784             1.0000000        
S   1
  1     86.694806501            1.0000000        
S   1
  1     34.979437577            1.0000000        
S   1
  1     11.099668839            1.0000000        
S   1
  1      4.9195496243           1.0000000        
S   1
  1      2.6757293972           1.0000000        
S   1
  1      1.4516603398           1.0000000        
S   1
  1      0.66807699046          1.0000000        
S   1
  1      0.33466849851          1.0000000        
S   1
  1      0.17791959762          1.0000000        
S   1
  1      0.78505367625E-01            1.0000000        
P   1
  1    649.92077081             1.0000000        
P   1
  1    184.40455742             1.0000000        
P   1
  1     39.948122871            1.0000000        
P   1
  1     16.677242918            1.0000000        
P   1
  1      9.3398798481           1.0000000        
P   1
  1      3.9577899211           1.0000000        
P   1
  1      1.9816170544           1.0000000        
P   1
  1      0.95260696506          1.0000000        
P   1
  1      0.47846273333          1.0000000        
P   1
  1      0.20739085711          1.0000000        
P   1
  1      0.99436202116E-01            1.0000000        
P   1
  1      0.43850750943E-01            1.0000000        
D   1
  1    147.64159744             1.0000000        
D   1
  1     46.862506686            1.0000000        
D   1
  1     17.060537269            1.0000000        
D   1
  1      7.5465693567           1.0000000        
D   1
  1      3.8037043329           1.0000000        
D   1
  1      1.8064830156           1.0000000        
D   1
  1      0.91753465076          1.0000000        
D   1
  1      0.43933648441          1.0000000        
D   1
  1      0.18218361076          1.0000000        
D   1
  1      0.10397090188          1.0000000        
F   1
  1     42.320439914            1.0000000        
F   1
  1      9.9588100880           1.0000000        
F   1
  1      5.2595206644           1.0000000        
F   1
  1      2.7105343913           1.0000000        
F   1
  1      1.2476169054           1.0000000        
F   1
  1      0.64578851847          1.0000000        
F   1
  1      0.27020320643          1.0000000        
F   1
  1      0.95352199223E-01            1.0000000        
G   1
  1     15.190367514            1.0000000        
G   1
  1      5.2539096931           1.0000000        
G   1
  1      2.6248471732           1.0000000        
G   1
  1      1.1670142850           1.0000000        
G   1
  1      0.54937932133          1.0000000        
G   1
  1      0.21088451236          1.0000000        
H   1
  1      7.0413552771           1.0000000        
H   1
  1      3.5830975743           1.0000000        
H   1
  1      1.4751069368           1.0000000        
H   1
  1      0.52753239378          1.0000000        
I   1
  1      6.4250686900           1.0000000        
I   1
  1      3.0964851254           1.0000000        
I   1
  1      1.2778600368           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Co
data:
COBALT
S   1
  1   1994.9171666              1.0000000        
S   1
  1   1096.0888007              1.0000000        
S   1
  1    491.85196500             1.0000000        
S   1
  1    192.48346968             1.0000000        
S   1
  1     84.147734876            1.0000000        
S   1
  1     33.831274963            1.0000000        
S   1
  1      9.9489571904           1.0000000        
S   1
  1      4.0799974603           1.0000000        
S   1
  1      2.1172344765           1.0000000        
S   1
  1      1.1866664364           1.0000000        
S   1
  1      0.46701924243          1.0000000        
S   1
  1      0.15619495587          1.0000000        
S   1
  1      0.96716543899E-01            1.0000000        
S   1
  1      0.42882729146E-01            1.0000000        
P   1
  1    649.14976212             1.0000000        
P   1
  1    181.90838555             1.0000000        
P   1
  1     43.037406949            1.0000000        
P   1
  1     14.622622921            1.0000000        
P   1
  1      6.1591872268           1.0000000        
P   1
  1      2.8463859603           1.0000000        
P   1
  1      1.8194353721           1.0000000        
P   1
  1      1.0283785291           1.0000000        
P   1
  1      0.58744930257          1.0000000        
P   1
  1      0.24599669908          1.0000000        
P   1
  1      0.99016159447E-01            1.0000000        
P   1
  1      0.41284449046E-01            1.0000000        
D   1
  1    150.04639635             1.0000000        
D   1
  1     44.275282438            1.0000000        
D   1
  1     19.966986036            1.0000000        
D   1
  1      8.0611327311           1.0000000        
D   1
  1      4.2617262131           1.0000000        
D   1
  1      2.1335274055           1.0000000        
D   1
  1      1.1103310825           1.0000000        
D   1
  1      0.59113105477          1.0000000        
D   1
  1      0.23743138879          1.0000000        
D   1
  1      0.99391065889E-01            1.0000000        
F   1
  1     50.094744065            1.0000000        
F   1
  1      9.5708408155           1.0000000        
F   1
  1      6.1925553504           1.0000000        
F   1
  1      3.0466088088           1.0000000        
F   1
  1      1.5813323140           1.0000000        
F   1
  1      0.73156368102          1.0000000        
F   1
  1      0.41485884484          1.0000000        
F   1
  1      0.14651551236          1.0000000        
G   1
  1     18.379020559            1.0000000        
G   1
  1      6.4852954256           1.0000000        
G   1
  1      3.6671325974           1.0000000        
G   1
  1      1.6509237559           1.0000000        
G   1
  1      0.89838914136          1.0000000        
G   1
  1      0.34574956063          1.0000000        
H   1
  1      8.3852211460           1.0000000        
H   1
  1      4.1901331152           1.0000000        
H   1
  1      1.8390675210           1.0000000        
H   1
  1      0.69294208028          1.0000000        
I   1
  1      6.4817058195           1.0000000        
I   1
  1      3.5035095694           1.0000000        
I   1
  1      1.5845433458           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Ni
data:
NICKEL
S   1
  1   1997.6747908              1.0000000        
S   1
  1   1097.1365951              1.0000000        
S   1
  1    495.73978063             1.0000000        
S   1
  1    195.97759386             1.0000000        
S   1
  1     87.155620799            1.0000000        
S   1
  1     35.141587627            1.0000000        
S   1
  1      9.7003468892           1.0000000        
S   1
  1      5.6252388467           1.0000000        
S   1
  1      3.3479619395           1.0000000        
S   1
  1      1.5003065663           1.0000000        
S   1
  1      0.96519854683          1.0000000        
S   1
  1      0.48134893512          1.0000000        
S   1
  1      0.16701210693          1.0000000        
S   1
  1      0.37466374760E-01            1.0000000        
P   1
  1    638.26801901             1.0000000        
P   1
  1    184.23739839             1.0000000        
P   1
  1     48.819981663            1.0000000        
P   1
  1     15.701999265            1.0000000        
P   1
  1      6.9487018494           1.0000000        
P   1
  1      3.4505881417           1.0000000        
P   1
  1      2.0373185885           1.0000000        
P   1
  1      1.1798222376           1.0000000        
P   1
  1      0.57208409474          1.0000000        
P   1
  1      0.24111736567          1.0000000        
P   1
  1      0.10746958651          1.0000000        
P   1
  1      0.23779581862E-01            1.0000000        
D   1
  1    146.48880217             1.0000000        
D   1
  1     44.747015569            1.0000000        
D   1
  1     19.494456203            1.0000000        
D   1
  1     10.266568895            1.0000000        
D   1
  1      4.6581229043           1.0000000        
D   1
  1      2.6005080760           1.0000000        
D   1
  1      1.3012663193           1.0000000        
D   1
  1      0.58890617969          1.0000000        
D   1
  1      0.23646633754          1.0000000        
D   1
  1      0.17252457502          1.0000000        
F   1
  1     54.069576000            1.0000000        
F   1
  1     11.099834079            1.0000000        
F   1
  1      6.7118980974           1.0000000        
F   1
  1      3.4928234802           1.0000000        
F   1
  1      1.6683735961           1.0000000        
F   1
  1      0.72144704156          1.0000000        
F   1
  1      0.32545859359          1.0000000        
F   1
  1      0.14223650190          1.0000000        
G   1
  1     19.839861288            1.0000000        
G   1
  1      7.0652712007           1.0000000        
G   1
  1      3.8005619024           1.0000000        
G   1
  1      1.7317767710           1.0000000        
G   1
  1      0.78831749133          1.0000000        
G   1
  1      0.28517676041          1.0000000        
H   1
  1      9.6757405122           1.0000000        
H   1
  1      4.9092445963           1.0000000        
H   1
  1      2.1173648723           1.0000000        
H   1
  1      0.75953047425          1.0000000        
I   1
  1      7.5939716506           1.0000000        
I   1
  1      4.1429406424           1.0000000        
I   1
  1      1.8742449469           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Cu
data:
COPPER
S   1
  1   1988.3943331              1.0000000        
S   1
  1   1097.6031754              1.0000000        
S   1
  1    487.37158842             1.0000000        
S   1
  1    188.99742634             1.0000000        
S   1
  1     88.296191501            1.0000000        
S   1
  1     41.741334470            1.0000000        
S   1
  1     11.348373925            1.0000000        
S   1
  1      5.1923780765           1.0000000        
S   1
  1      2.4030648701           1.0000000        
S   1
  1      1.3038730326           1.0000000        
S   1
  1      0.65644550072          1.0000000        
S   1
  1      0.26113372227          1.0000000        
S   1
  1      0.15633704072          1.0000000        
S   1
  1      0.88486014425E-01            1.0000000        
P   1
  1    544.37919462             1.0000000        
P   1
  1    169.94322582             1.0000000        
P   1
  1     46.298367013            1.0000000        
P   1
  1     18.709714488            1.0000000        
P   1
  1     10.919530994            1.0000000        
P   1
  1      5.0483956555           1.0000000        
P   1
  1      2.4642084474           1.0000000        
P   1
  1      1.3923761990           1.0000000        
P   1
  1      0.60123889547          1.0000000        
P   1
  1      0.28424810230          1.0000000        
P   1
  1      0.15664865850          1.0000000        
P   1
  1      0.81004901106E-01            1.0000000        
D   1
  1    143.23328678             1.0000000        
D   1
  1     35.079616426            1.0000000        
D   1
  1     14.343136515            1.0000000        
D   1
  1      8.8025938565           1.0000000        
D   1
  1      4.4503116420           1.0000000        
D   1
  1      2.3012884705           1.0000000        
D   1
  1      1.4858584764           1.0000000        
D   1
  1      0.66345007976          1.0000000        
D   1
  1      0.27729818911          1.0000000        
D   1
  1      0.11908368207          1.0000000        
F   1
  1     60.474497698            1.0000000        
F   1
  1     11.827049352            1.0000000        
F   1
  1      7.9573367981           1.0000000        
F   1
  1      4.0635911790           1.0000000        
F   1
  1      2.0095561906           1.0000000        
F   1
  1      0.92059006097          1.0000000        
F   1
  1      0.54126196249          1.0000000        
F   1
  1      0.27300843581          1.0000000        
G   1
  1     23.344023298            1.0000000        
G   1
  1      8.2968740238           1.0000000        
G   1
  1      4.8120260243           1.0000000        
G   1
  1      2.1788387939           1.0000000        
G   1
  1      1.1629222161           1.0000000        
G   1
  1      0.44552809251          1.0000000        
H   1
  1     11.128671950            1.0000000        
H   1
  1      5.7735262465           1.0000000        
H   1
  1      2.4851190600           1.0000000        
H   1
  1      0.91520105376          1.0000000        
I   1
  1      8.8104756455           1.0000000        
I   1
  1      4.7968659582           1.0000000        
I   1
  1      2.2959415073           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Zn
data:
ZINC
S   1
  1   1983.9146450              1.0000000        
S   1
  1   1087.2438282              1.0000000        
S   1
  1    479.62177968             1.0000000        
S   1
  1    175.95286833             1.0000000        
S   1
  1     74.202151189            1.0000000        
S   1
  1     38.667200183            1.0000000        
S   1
  1     10.236101439            1.0000000        
S   1
  1      6.2204086909           1.0000000        
S   1
  1      2.1271896267           1.0000000        
S   1
  1      1.1159401609           1.0000000        
S   1
  1      0.37325935282          1.0000000        
S   1
  1      0.16674317060          1.0000000        
S   1
  1      0.12483945329          1.0000000        
S   1
  1      0.68468430031E-01            1.0000000        
P   1
  1    539.01328113             1.0000000        
P   1
  1    157.63172978             1.0000000        
P   1
  1     49.627453821            1.0000000        
P   1
  1     19.403112464            1.0000000        
P   1
  1      7.3658598057           1.0000000        
P   1
  1      5.1076186398           1.0000000        
P   1
  1      1.6863645923           1.0000000        
P   1
  1      1.1929528778           1.0000000        
P   1
  1      0.54459548780          1.0000000        
P   1
  1      0.21695148649          1.0000000        
P   1
  1      0.12138312420          1.0000000        
P   1
  1      0.65315080686E-01            1.0000000        
D   1
  1    132.71269142             1.0000000        
D   1
  1     33.932639377            1.0000000        
D   1
  1     15.656265046            1.0000000        
D   1
  1      8.1524450833           1.0000000        
D   1
  1      4.7833990302           1.0000000        
D   1
  1      2.2141648328           1.0000000        
D   1
  1      1.5668347800           1.0000000        
D   1
  1      0.75068249198          1.0000000        
D   1
  1      0.35997188208          1.0000000        
D   1
  1      0.15754762963          1.0000000        
F   1
  1     67.751331438            1.0000000        
F   1
  1     12.636572349            1.0000000        
F   1
  1     10.926306756            1.0000000        
F   1
  1      5.1091869559           1.0000000        
F   1
  1      2.6193081217           1.0000000        
F   1
  1      1.4754561008           1.0000000        
F   1
  1      0.71255689329          1.0000000        
F   1
  1      0.44097770518          1.0000000        
G   1
  1     27.246512773            1.0000000        
G   1
  1      9.9101533886           1.0000000        
G   1
  1      6.1151618791           1.0000000        
G   1
  1      2.7707126798           1.0000000        
G   1
  1      1.6312211342           1.0000000        
G   1
  1      0.62543387250          1.0000000        
H   1
  1     12.917411694            1.0000000        
H   1
  1      6.8009803285           1.0000000        
H   1
  1      2.9731757098           1.0000000        
H   1
  1      1.1348430531           1.0000000        
I   1
  1     10.806578715            1.0000000        
I   1
  1      5.8819272669           1.0000000        
I   1
  1      2.8828645211           1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   3
  1     33.8700000              0.0060680        
  2      5.0950000              0.0453080        
  3      1.1590000              0.2028220        
S   1
  1      0.3258000              1.0000000        
S   1
  1      0.1027000              1.0000000        
S   1
  1      0.0252600              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
P   1
  1      0.1020000              1.0000000        
D   1
  1      1.0570000              1.0000000        
D   1
  1      0.2470000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: He
data:
HELIUM
S   4
  1    234.0000000              0.0025870        
  2     35.1600000              0.0195330        
  3      7.9890000              0.0909980        
  4      2.2120000              0.2720500        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
S   1
  1      0.0513800              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
P   1
  1      0.1993000              1.0000000        
D   1
  1      1.9650000              1.0000000        
D   1
  1      0.4592000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Li
data:
LITHIUM
S   9
  1   5988.0000000              0.0001330        
  2    898.9000000              0.0010250        
  3    205.9000000              0.0052720        
  4     59.2400000              0.0209290        
  5     19.8700000              0.0663400        
  6      7.4060000              0.1657750        
  7      2.9300000              0.3150380        
  8      1.1890000              0.3935230        
  9      0.4798000              0.1908700        
S   9
  1   5988.0000000             -0.0000210        
  2    898.9000000             -0.0001610        
  3    205.9000000             -0.0008200        
  4     59.2400000             -0.0033260        
  5     19.8700000             -0.0105190        
  6      7.4060000             -0.0280970        
  7      2.9300000             -0.0559360        
  8      1.1890000             -0.0992370        
  9      0.4798000             -0.1121890        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
S   1
  1      0.0076000              1.0000000        
P   3
  1      3.2660000              0.0086300        
  2      0.6511000              0.0475380        
  3      0.1696000              0.2097720        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
P   1
  1      0.0091000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
D   1
  1      0.0371000              1.0000000        
F   1
  1      0.1829000              1.0000000        
F   1
  1      0.0816000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Be
data:
BERYLLIUM
S   9
  1   6863.0000000              0.0002360        
  2   1030.0000000              0.0018260        
  3    234.7000000              0.0094520        
  4     66.5600000              0.0379570        
  5     21.6900000              0.1199650        
  6      7.7340000              0.2821620        
  7      2.9160000              0.4274040        
  8      1.1300000              0.2662780        
  9      0.1101000             -0.0072750        
S   9
  1   6863.0000000             -0.0000430        
  2   1030.0000000             -0.0003330        
  3    234.7000000             -0.0017360        
  4     66.5600000             -0.0070120        
  5     21.6900000             -0.0231260        
  6      7.7340000             -0.0581380        
  7      2.9160000             -0.1145560        
  8      1.1300000             -0.1359080        
  9      0.1101000              0.5774410        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.0440900              1.0000000        
S   1
  1      0.0150300              1.0000000        
P   3
  1      7.4360000              0.0107360        
  2      1.5770000              0.0628540        
  3      0.4352000              0.2481800        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
D   1
  1      0.0654000              1.0000000        
F   1
  1      0.3250000              1.0000000        
F   1
  1      0.1533000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   8
  1   5473.0000000              0.0005550        
  2    820.9000000              0.0042910        
  3    186.8000000              0.0219490        
  4     52.8300000              0.0844410        
  5     17.0800000              0.2385570        
  6      5.9990000              0.4350720        
  7      2.2080000              0.3419550        
  8      0.2415000             -0.0095450        
S   8
  1   5473.0000000             -0.0001120        
  2    820.9000000             -0.0008680        
  3    186.8000000             -0.0044840        
  4     52.8300000             -0.0176830        
  5     17.0800000             -0.0536390        
  6      5.9990000             -0.1190050        
  7      2.2080000             -0.1658240        
  8      0.2415000              0.5959810        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.0861000              1.0000000        
S   1
  1      0.0291400              1.0000000        
P   3
  1     12.0500000              0.0131180        
  2      2.6130000              0.0798960        
  3      0.7475000              0.2772750        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0209600              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      0.4900000              1.0000000        
F   1
  1      0.1630000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   8
  1   8236.0000000              0.0005310        
  2   1235.0000000              0.0041080        
  3    280.8000000              0.0210870        
  4     79.2700000              0.0818530        
  5     25.5900000              0.2348170        
  6      8.9970000              0.4344010        
  7      3.3190000              0.3461290        
  8      0.3643000             -0.0089830        
S   8
  1   8236.0000000             -0.0001130        
  2   1235.0000000             -0.0008780        
  3    280.8000000             -0.0045400        
  4     79.2700000             -0.0181330        
  5     25.5900000             -0.0557600        
  6      8.9970000             -0.1268950        
  7      3.3190000             -0.1703520        
  8      0.3643000              0.5986840        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.1285000              1.0000000        
S   1
  1      0.0440200              1.0000000        
P   3
  1     18.7100000              0.0140310        
  2      4.1330000              0.0868660        
  3      1.2000000              0.2902160        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
P   1
  1      0.0356900              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
D   1
  1      0.1000000              1.0000000        
F   1
  1      0.7610000              1.0000000        
F   1
  1      0.2680000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   8
  1  11420.0000000              0.0005230        
  2   1712.0000000              0.0040450        
  3    389.3000000              0.0207750        
  4    110.0000000              0.0807270        
  5     35.5700000              0.2330740        
  6     12.5400000              0.4335010        
  7      4.6440000              0.3474720        
  8      0.5118000             -0.0085080        
S   8
  1  11420.0000000             -0.0001150        
  2   1712.0000000             -0.0008950        
  3    389.3000000             -0.0046240        
  4    110.0000000             -0.0185280        
  5     35.5700000             -0.0573390        
  6     12.5400000             -0.1320760        
  7      4.6440000             -0.1725100        
  8      0.5118000              0.5999440        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.1787000              1.0000000        
S   1
  1      0.0576000              1.0000000        
P   3
  1     26.6300000              0.0146700        
  2      5.9480000              0.0917640        
  3      1.7420000              0.2986830        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
P   1
  1      0.0491000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      1.0930000              1.0000000        
F   1
  1      0.3640000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   8
  1  15330.0000000              0.0005080        
  2   2299.0000000              0.0039290        
  3    522.4000000              0.0202430        
  4    147.3000000              0.0791810        
  5     47.5500000              0.2306870        
  6     16.7600000              0.4331180        
  7      6.2070000              0.3502600        
  8      0.6882000             -0.0081540        
S   8
  1  15330.0000000             -0.0001150        
  2   2299.0000000             -0.0008950        
  3    522.4000000             -0.0046360        
  4    147.3000000             -0.0187240        
  5     47.5500000             -0.0584630        
  6     16.7600000             -0.1364630        
  7      6.2070000             -0.1757400        
  8      0.6882000              0.6034180        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.2384000              1.0000000        
S   1
  1      0.0737600              1.0000000        
P   3
  1     34.4600000              0.0159280        
  2      7.7490000              0.0997400        
  3      2.2800000              0.3104920        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.0597400              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
D   1
  1      0.2140000              1.0000000        
F   1
  1      1.4280000              1.0000000        
F   1
  1      0.5000000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   8
  1  19500.0000000              0.0005070        
  2   2923.0000000              0.0039230        
  3    664.5000000              0.0202000        
  4    187.5000000              0.0790100        
  5     60.6200000              0.2304390        
  6     21.4200000              0.4328720        
  7      7.9500000              0.3499640        
  8      0.8815000             -0.0078920        
S   8
  1  19500.0000000             -0.0001170        
  2   2923.0000000             -0.0009120        
  3    664.5000000             -0.0047170        
  4    187.5000000             -0.0190860        
  5     60.6200000             -0.0596550        
  6     21.4200000             -0.1400100        
  7      7.9500000             -0.1767820        
  8      0.8815000              0.6050430        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.3041000              1.0000000        
S   1
  1      0.0915800              1.0000000        
P   3
  1     43.8800000              0.0166650        
  2      9.9260000              0.1044720        
  3      2.9300000              0.3172600        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
P   1
  1      0.0736100              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
D   1
  1      0.2920000              1.0000000        
F   1
  1      1.9170000              1.0000000        
F   1
  1      0.7240000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ne
data:
NEON
S   8
  1  24350.0000000              0.0005020        
  2   3650.0000000              0.0038810        
  3    829.6000000              0.0199970        
  4    234.0000000              0.0784180        
  5     75.6100000              0.2296760        
  6     26.7300000              0.4327220        
  7      9.9270000              0.3506420        
  8      1.1020000             -0.0076450        
S   8
  1  24350.0000000             -0.0001180        
  2   3650.0000000             -0.0009150        
  3    829.6000000             -0.0047370        
  4    234.0000000             -0.0192330        
  5     75.6100000             -0.0603690        
  6     26.7300000             -0.1425080        
  7      9.9270000             -0.1777100        
  8      1.1020000              0.6058360        
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
S   1
  1      0.1133000              1.0000000        
P   3
  1     54.7000000              0.0171510        
  2     12.4300000              0.1076560        
  3      3.6790000              0.3216810        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
P   1
  1      0.0917500              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
D   1
  1      0.3860000              1.0000000        
F   1
  1      2.5440000              1.0000000        
F   1
  1      1.0840000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Na
data:
SODIUM
S   14
  1 423000.0000000              0.180618E-04     
  2  63340.0000000              0.140430E-03     
  3  14410.0000000              0.738438E-03     
  4   4077.0000000              0.311182E-02     
  5   1328.0000000              0.112081E-01     
  6    478.6000000              0.352828E-01     
  7    186.2000000              0.959897E-01     
  8     76.9200000              0.213735E+00     
  9     33.3200000              0.348688E+00     
 10     15.0000000              0.324566E+00     
 11      6.8690000              0.112633E+00     
 12      2.6830000              0.706797E-02     
 13      1.1090000              0.598010E-03     
 14      0.0601500             -0.530870E-05     
S   14
  1 423000.0000000             -0.440653E-05     
  2  63340.0000000             -0.343443E-04     
  3  14410.0000000             -0.180114E-03     
  4   4077.0000000             -0.763900E-03     
  5   1328.0000000             -0.275248E-02     
  6    478.6000000             -0.886016E-02     
  7    186.2000000             -0.247939E-01     
  8     76.9200000             -0.605995E-01     
  9     33.3200000             -0.116446E+00     
 10     15.0000000             -0.162437E+00     
 11      6.8690000             -0.438891E-01     
 12      2.6830000              0.337917E+00     
 13      1.1090000              0.561347E+00     
 14      0.0601500              0.406754E-02     
S   14
  1 423000.0000000              0.663019E-06     
  2  63340.0000000              0.515769E-05     
  3  14410.0000000              0.271250E-04     
  4   4077.0000000              0.114635E-03     
  5   1328.0000000              0.415118E-03     
  6    478.6000000              0.132978E-02     
  7    186.2000000              0.375595E-02     
  8     76.9200000              0.914025E-02     
  9     33.3200000              0.179859E-01     
 10     15.0000000              0.251477E-01     
 11      6.8690000              0.763522E-02     
 12      2.6830000             -0.614589E-01     
 13      1.1090000             -0.115721E+00     
 14      0.0601500              0.626406E+00     
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
S   1
  1      0.0066500              1.0000000        
P   8
  1    243.3000000              0.224392E-02     
  2     57.3900000              0.173997E-01     
  3     18.1000000              0.774125E-01     
  4      6.5750000              0.219102E+00     
  5      2.5210000              0.378522E+00     
  6      0.9607000              0.394902E+00     
  7      0.3512000              0.160424E+00     
  8      0.0982700              0.233311E-02     
P   8
  1    243.3000000             -0.222401E-03     
  2     57.3900000             -0.174277E-02     
  3     18.1000000             -0.775456E-02     
  4      6.5750000             -0.225187E-01     
  5      2.5210000             -0.384330E-01     
  6      0.9607000             -0.450177E-01     
  7      0.3512000             -0.192132E-01     
  8      0.0982700              0.182697E+00     
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
P   1
  1      0.0070000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      0.1397000              1.0000000        
F   1
  1      0.0714000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Mg
data:
MAGNESIUM
S   13
  1 164900.0000000              0.729929E-04     
  2  24710.0000000              0.566652E-03     
  3   5628.0000000              0.296269E-02     
  4   1596.0000000              0.122962E-01     
  5    521.0000000              0.427324E-01     
  6    188.0000000              0.123013E+00     
  7     73.0100000              0.274832E+00     
  8     29.9000000              0.401818E+00     
  9     12.5400000              0.264697E+00     
 10      4.3060000              0.332612E-01     
 11      1.8260000             -0.441335E-02     
 12      0.7417000              0.206024E-02     
 13      0.0761200              0.708195E-03     
S   13
  1 164900.0000000             -0.184248E-04     
  2  24710.0000000             -0.143500E-03     
  3   5628.0000000             -0.748710E-03     
  4   1596.0000000             -0.314407E-02     
  5    521.0000000             -0.110481E-01     
  6    188.0000000             -0.336058E-01     
  7     73.0100000             -0.825946E-01     
  8     29.9000000             -0.159314E+00     
  9     12.5400000             -0.152888E+00     
 10      4.3060000              0.190849E+00     
 11      1.8260000              0.579964E+00     
 12      0.7417000              0.372029E+00     
 13      0.0761200             -0.119344E-01     
S   13
  1 164900.0000000              0.355176E-05     
  2  24710.0000000              0.276420E-04     
  3   5628.0000000              0.144404E-03     
  4   1596.0000000              0.605744E-03     
  5    521.0000000              0.213527E-02     
  6    188.0000000              0.649934E-02     
  7     73.0100000              0.161446E-01     
  8     29.9000000              0.315766E-01     
  9     12.5400000              0.316374E-01     
 10      4.3060000             -0.439140E-01     
 11      1.8260000             -0.151093E+00     
 12      0.7417000             -0.217668E+00     
 13      0.0761200              0.547245E+00     
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   8
  1    316.9000000              0.207532E-02     
  2     74.8600000              0.162869E-01     
  3     23.7200000              0.738697E-01     
  4      8.6690000              0.214297E+00     
  5      3.3630000              0.382154E+00     
  6      1.3100000              0.398178E+00     
  7      0.4911000              0.152878E+00     
  8      0.2364000             -0.437540E-02     
P   8
  1    316.9000000             -0.329727E-03     
  2     74.8600000             -0.258754E-02     
  3     23.7200000             -0.119120E-01     
  4      8.6690000             -0.350227E-01     
  5      3.3630000             -0.639968E-01     
  6      1.3100000             -0.704436E-01     
  7      0.4911000             -0.375836E-01     
  8      0.2364000              0.177043E+00     
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
P   1
  1      0.0074500              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.2520000              1.0000000        
F   1
  1      0.0940000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.678836E-04     
  2  30780.0000000              0.527149E-03     
  3   7006.0000000              0.276203E-02     
  4   1985.0000000              0.114728E-01     
  5    649.1000000              0.398188E-01     
  6    235.0000000              0.115040E+00     
  7     91.6200000              0.260887E+00     
  8     37.6700000              0.396386E+00     
  9     15.9100000              0.284597E+00     
 10      5.8500000              0.444583E-01     
 11      2.5420000             -0.489838E-02     
 12      1.0570000              0.261253E-02     
 13      0.1455000              0.722068E-03     
S   13
  1 205500.0000000             -0.176377E-04     
  2  30780.0000000             -0.137195E-03     
  3   7006.0000000             -0.718910E-03     
  4   1985.0000000             -0.301146E-02     
  5    649.1000000             -0.106014E-01     
  6    235.0000000             -0.321345E-01     
  7     91.6200000             -0.803156E-01     
  8     37.6700000             -0.156794E+00     
  9     15.9100000             -0.168376E+00     
 10      5.8500000              0.126879E+00     
 11      2.5420000              0.561494E+00     
 12      1.0570000              0.436613E+00     
 13      0.1455000             -0.114563E-01     
S   13
  1 205500.0000000              0.407315E-05     
  2  30780.0000000              0.316566E-04     
  3   7006.0000000              0.166116E-03     
  4   1985.0000000              0.694992E-03     
  5    649.1000000              0.245511E-02     
  6    235.0000000              0.744598E-02     
  7     91.6200000              0.188253E-01     
  8     37.6700000              0.372772E-01     
  9     15.9100000              0.419496E-01     
 10      5.8500000             -0.354375E-01     
 11      2.5420000             -0.175132E+00     
 12      1.0570000             -0.276203E+00     
 13      0.1455000              0.652809E+00     
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   7
  1    444.4000000              0.162786E-02     
  2    105.1000000              0.130687E-01     
  3     33.4700000              0.612341E-01     
  4     12.3300000              0.187870E+00     
  5      4.8690000              0.360452E+00     
  6      1.9610000              0.408454E+00     
  7      0.1888000              0.976514E-02     
P   7
  1    444.4000000             -0.286341E-03     
  2    105.1000000             -0.242308E-02     
  3     33.4700000             -0.108658E-01     
  4     12.3300000             -0.364307E-01     
  5      4.8690000             -0.641074E-01     
  6      1.9610000             -0.972239E-01     
  7      0.1888000              0.503448E+00     
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
D   1
  1      0.0356000              1.0000000        
F   1
  1      0.2440000              1.0000000        
F   1
  1      0.0858000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.625101E-04     
  2  38190.0000000              0.485553E-03     
  3   8690.0000000              0.254516E-02     
  4   2462.0000000              0.105866E-01     
  5    804.8000000              0.368787E-01     
  6    291.3000000              0.107479E+00     
  7    113.6000000              0.247936E+00     
  8     46.7500000              0.390927E+00     
  9     19.8200000              0.302026E+00     
 10      7.7080000              0.559236E-01     
 11      3.3400000             -0.402406E-02     
 12      1.4020000              0.258030E-02     
 13      0.2070000              0.607930E-03     
S   13
  1 254900.0000000             -0.166370E-04     
  2  38190.0000000             -0.129310E-03     
  3   8690.0000000             -0.678828E-03     
  4   2462.0000000             -0.284117E-02     
  5    804.8000000             -0.100551E-01     
  6    291.3000000             -0.305774E-01     
  7    113.6000000             -0.777256E-01     
  8     46.7500000             -0.154236E+00     
  9     19.8200000             -0.180368E+00     
 10      7.7080000              0.798218E-01     
 11      3.3400000              0.547441E+00     
 12      1.4020000              0.480119E+00     
 13      0.2070000             -0.106996E-01     
S   13
  1 254900.0000000              0.426257E-05     
  2  38190.0000000              0.331062E-04     
  3   8690.0000000              0.174015E-03     
  4   2462.0000000              0.727574E-03     
  5    804.8000000              0.258333E-02     
  6    291.3000000              0.786354E-02     
  7    113.6000000              0.202155E-01     
  8     46.7500000              0.407320E-01     
  9     19.8200000              0.499358E-01     
 10      7.7080000             -0.249396E-01     
 11      3.3400000             -0.190350E+00     
 12      1.4020000             -0.318350E+00     
 13      0.2070000              0.681180E+00     
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   7
  1    481.5000000              0.192045E-02     
  2    113.9000000              0.153552E-01     
  3     36.2300000              0.713991E-01     
  4     13.3400000              0.213052E+00     
  5      5.2520000              0.390354E+00     
  6      2.1200000              0.393721E+00     
  7      0.2528000              0.395630E-02     
P   7
  1    481.5000000             -0.405220E-03     
  2    113.9000000             -0.335896E-02     
  3     36.2300000             -0.152860E-01     
  4     13.3400000             -0.489218E-01     
  5      5.2520000             -0.855008E-01     
  6      2.1200000             -0.112137E+00     
  7      0.2528000              0.551919E+00     
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
D   1
  1      0.0556000              1.0000000        
F   1
  1      0.3360000              1.0000000        
F   1
  1      0.1250000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: P
data:
PHOSPHORUS
S   13
  1 312400.0000000              0.576960E-04     
  2  46800.0000000              0.448296E-03     
  3  10650.0000000              0.234939E-02     
  4   3018.0000000              0.978265E-02     
  5    986.8000000              0.341467E-01     
  6    357.4000000              0.100204E+00     
  7    139.6000000              0.234372E+00     
  8     57.6300000              0.382434E+00     
  9     24.6000000              0.318088E+00     
 10     10.1200000              0.707788E-01     
 11      4.2830000             -0.181799E-02     
 12      1.8050000              0.216180E-02     
 13      0.2782000              0.432297E-03     
S   13
  1 312400.0000000             -0.156709E-04     
  2  46800.0000000             -0.121724E-03     
  3  10650.0000000             -0.639672E-03     
  4   3018.0000000             -0.267426E-02     
  5    986.8000000             -0.949831E-02     
  6    357.4000000             -0.289349E-01     
  7    139.6000000             -0.745121E-01     
  8     57.6300000             -0.149938E+00     
  9     24.6000000             -0.189467E+00     
 10     10.1200000              0.363270E-01     
 11      4.2830000              0.528816E+00     
 12      1.8050000              0.519115E+00     
 13      0.2782000             -0.925695E-02     
S   13
  1 312400.0000000              0.430631E-05     
  2  46800.0000000              0.334194E-04     
  3  10650.0000000              0.175885E-03     
  4   3018.0000000              0.734340E-03     
  5    986.8000000              0.261775E-02     
  6    357.4000000              0.797852E-02     
  7    139.6000000              0.207940E-01     
  8     57.6300000              0.424446E-01     
  9     24.6000000              0.563436E-01     
 10     10.1200000             -0.127358E-01     
 11      4.2830000             -0.196495E+00     
 12      1.8050000             -0.353555E+00     
 13      0.2782000              0.700912E+00     
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
S   1
  1      0.0409000              1.0000000        
P   7
  1    504.9000000              0.233728E-02     
  2    119.4000000              0.185410E-01     
  3     37.9600000              0.849693E-01     
  4     13.9500000              0.244615E+00     
  5      5.4570000              0.422766E+00     
  6      2.1770000              0.368439E+00     
  7      0.2877000             -0.379005E-02     
P   7
  1    504.9000000             -0.555236E-03     
  2    119.4000000             -0.445913E-02     
  3     37.9600000             -0.206350E-01     
  4     13.9500000             -0.617694E-01     
  5      5.4570000             -0.108924E+00     
  6      2.1770000             -0.105599E+00     
  7      0.2877000              0.576981E+00     
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
P   1
  1      0.0307000              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
D   1
  1      0.0775000              1.0000000        
F   1
  1      0.4520000              1.0000000        
F   1
  1      0.1650000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.542140E-04     
  2  56050.0000000              0.420855E-03     
  3  12760.0000000              0.220698E-02     
  4   3615.0000000              0.919258E-02     
  5   1183.0000000              0.321123E-01     
  6    428.8000000              0.946683E-01     
  7    167.8000000              0.223630E+00     
  8     69.4700000              0.374393E+00     
  9     29.8400000              0.329108E+00     
 10     12.7200000              0.847038E-01     
 11      5.2440000              0.440851E-03     
 12      2.2190000              0.164827E-02     
 13      0.3490000              0.301306E-03     
S   13
  1 374100.0000000             -0.149837E-04     
  2  56050.0000000             -0.116198E-03     
  3  12760.0000000             -0.611583E-03     
  4   3615.0000000             -0.255370E-02     
  5   1183.0000000             -0.908708E-02     
  6    428.8000000             -0.277045E-01     
  7    167.8000000             -0.720020E-01     
  8     69.4700000             -0.146439E+00     
  9     29.8400000             -0.195150E+00     
 10     12.7200000              0.819193E-02     
 11      5.2440000              0.516601E+00     
 12      2.2190000              0.542178E+00     
 13      0.3490000             -0.918072E-02     
S   13
  1 374100.0000000              0.435066E-05     
  2  56050.0000000              0.337140E-04     
  3  12760.0000000              0.177674E-03     
  4   3615.0000000              0.741116E-03     
  5   1183.0000000              0.264591E-02     
  6    428.8000000              0.807487E-02     
  7    167.8000000              0.212276E-01     
  8     69.4700000              0.438323E-01     
  9     29.8400000              0.612716E-01     
 10     12.7200000             -0.361510E-02     
 11      5.2440000             -0.204510E+00     
 12      2.2190000             -0.381871E+00     
 13      0.3490000              0.714147E+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
S   1
  1      0.0497000              1.0000000        
P   7
  1    574.4000000              0.242264E-02     
  2    135.8000000              0.192796E-01     
  3     43.1900000              0.885401E-01     
  4     15.8700000              0.254654E+00     
  5      6.2080000              0.433984E+00     
  6      2.4830000              0.354953E+00     
  7      0.3229000             -0.502977E-02     
P   7
  1    574.4000000             -0.620102E-03     
  2    135.8000000             -0.493882E-02     
  3     43.1900000             -0.232647E-01     
  4     15.8700000             -0.685195E-01     
  5      6.2080000             -0.123896E+00     
  6      2.4830000             -0.969499E-01     
  7      0.3229000              0.569394E+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
D   1
  1      0.1010000              1.0000000        
F   1
  1      0.5570000              1.0000000        
F   1
  1      0.2180000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   13
  1 456100.0000000              0.492970E-04     
  2  68330.0000000              0.383029E-03     
  3  15550.0000000              0.200854E-02     
  4   4405.0000000              0.838558E-02     
  5   1439.0000000              0.294703E-01     
  6    520.4000000              0.878325E-01     
  7    203.1000000              0.211473E+00     
  8     83.9600000              0.365364E+00     
  9     36.2000000              0.340884E+00     
 10     15.8300000              0.102133E+00     
 11      6.3340000              0.311675E-02     
 12      2.6940000              0.105751E-02     
 13      0.4313000              0.156136E-03     
S   13
  1 456100.0000000             -0.138304E-04     
  2  68330.0000000             -0.107279E-03     
  3  15550.0000000             -0.565083E-03     
  4   4405.0000000             -0.236135E-02     
  5   1439.0000000             -0.845886E-02     
  6    520.4000000             -0.259638E-01     
  7    203.1000000             -0.686362E-01     
  8     83.9600000             -0.141874E+00     
  9     36.2000000             -0.199319E+00     
 10     15.8300000             -0.195662E-01     
 11      6.3340000              0.499741E+00     
 12      2.6940000              0.563736E+00     
 13      0.4313000             -0.835091E-02     
S   13
  1 456100.0000000              0.418546E-05     
  2  68330.0000000              0.324395E-04     
  3  15550.0000000              0.171105E-03     
  4   4405.0000000              0.714176E-03     
  5   1439.0000000              0.256705E-02     
  6    520.4000000              0.788552E-02     
  7    203.1000000              0.210867E-01     
  8     83.9600000              0.442264E-01     
  9     36.2000000              0.651670E-01     
 10     15.8300000              0.603012E-02     
 11      6.3340000             -0.206495E+00     
 12      2.6940000             -0.405871E+00     
 13      0.4313000              0.725661E+00     
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
S   1
  1      0.0591000              1.0000000        
P   7
  1    663.3000000              0.240448E-02     
  2    156.8000000              0.192148E-01     
  3     49.9800000              0.885097E-01     
  4     18.4200000              0.256020E+00     
  5      7.2400000              0.436927E+00     
  6      2.9220000              0.350334E+00     
  7      0.3818000             -0.458423E-02     
P   7
  1    663.3000000             -0.652145E-03     
  2    156.8000000             -0.519445E-02     
  3     49.9800000             -0.246938E-01     
  4     18.4200000             -0.728167E-01     
  5      7.2400000             -0.134030E+00     
  6      2.9220000             -0.947742E-01     
  7      0.3818000              0.564667E+00     
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1350000              1.0000000        
F   1
  1      0.7060000              1.0000000        
F   1
  1      0.3120000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.455828E-04     
  2  81640.0000000              0.354108E-03     
  3  18580.0000000              0.185797E-02     
  4   5261.0000000              0.776851E-02     
  5   1717.0000000              0.274232E-01     
  6    619.9000000              0.823836E-01     
  7    241.6000000              0.201230E+00     
  8     99.7900000              0.356781E+00     
  9     43.1500000              0.349563E+00     
 10     19.1400000              0.118266E+00     
 11      7.4880000              0.560190E-02     
 12      3.2050000              0.483473E-03     
 13      0.5204000              0.292025E-04     
S   13
  1 545000.0000000             -0.129551E-04     
  2  81640.0000000             -0.100428E-03     
  3  18580.0000000             -0.529583E-03     
  4   5261.0000000             -0.221396E-02     
  5   1717.0000000             -0.796845E-02     
  6    619.9000000             -0.245803E-01     
  7    241.6000000             -0.657798E-01     
  8     99.7900000             -0.137942E+00     
  9     43.1500000             -0.201630E+00     
 10     19.1400000             -0.412834E-01     
 11      7.4880000              0.484680E+00     
 12      3.2050000              0.579224E+00     
 13      0.5204000             -0.727553E-02     
S   13
  1 545000.0000000              0.404990E-05     
  2  81640.0000000              0.313691E-04     
  3  18580.0000000              0.165646E-03     
  4   5261.0000000              0.691662E-03     
  5   1717.0000000              0.249790E-02     
  6    619.9000000              0.771074E-02     
  7    241.6000000              0.208714E-01     
  8     99.7900000              0.443965E-01     
  9     43.1500000              0.680224E-01     
 10     19.1400000              0.141350E-01     
 11      7.4880000             -0.207489E+00     
 12      3.2050000             -0.425045E+00     
 13      0.5204000              0.733627E+00     
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
S   1
  1      0.0685000              1.0000000        
P   7
  1    761.8000000              0.236976E-02     
  2    180.2000000              0.190199E-01     
  3     57.5000000              0.880807E-01     
  4     21.2400000              0.256377E+00     
  5      8.3880000              0.438711E+00     
  6      3.4160000              0.347569E+00     
  7      0.4523000             -0.523882E-02     
P   7
  1    761.8000000             -0.667211E-03     
  2    180.2000000             -0.532717E-02     
  3     57.5000000             -0.255494E-01     
  4     21.2400000             -0.757197E-01     
  5      8.3880000             -0.141133E+00     
  6      3.4160000             -0.932768E-01     
  7      0.4523000              0.562450E+00     
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
D   1
  1      0.1690000              1.0000000        
F   1
  1      0.8900000              1.0000000        
F   1
  1      0.4060000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             8.147221E-06     
  2 406598.4000000              6.334788E-05     
  3  92530.0400000              0.0003330384     
  4  26207.9200000              0.001404055      
  5   8549.4290000              0.005081725      
  6   3085.9750000              0.01626926       
  7   1203.1720000              0.04624577       
  8    498.4869000              0.1137223        
  9    216.7360000              0.2257636        
 10     97.8747600              0.3106700        
 11     45.2043300              0.2191906        
 12     20.2118700              0.07215879       
 13      9.5747510              0.1187030        
 14      4.5403460              0.1220532        
 15      1.9956870              0.02136795       
 16      0.9422150             -0.0005357246     
 17      0.4178450              0.0002435774     
 18      0.0957610             -8.796617E-05     
 19      0.0513510              7.878246E-05     
S   19
  1 2715278.0000000            -4.722109E-06     
  2 406598.4000000             -3.671829E-05     
  3  92530.0400000             -0.0001930883     
  4  26207.9200000             -0.000814687      
  5   8549.4290000             -0.002955526      
  6   3085.9750000             -0.009520035      
  7   1203.1720000             -0.02746858       
  8    498.4869000             -0.06991528       
  9    216.7360000             -0.1499251        
 10     97.8747600             -0.2459153        
 11     45.2043300             -0.2401293        
 12     20.2118700              0.03567987       
 13      9.5747510              0.4915023        
 14      4.5403460              0.4911381        
 15      1.9956870              0.09120633       
 16      0.9422150             -0.005356723      
 17      0.4178450              0.0008812836     
 18      0.0957610             -0.0007605536     
 19      0.0513510              0.0006340116     
S   19
  1 2715278.0000000             9.139905E-07     
  2 406598.4000000              7.108513E-06     
  3  92530.0400000              3.738126E-05     
  4  26207.9200000              0.0001578828     
  5   8549.4290000              0.0005737686     
  6   3085.9750000              0.001859244      
  7   1203.1720000              0.005433182      
  8    498.4869000              0.01425387       
  9    216.7360000              0.03246144       
 10     97.8747600              0.06003454       
 11     45.2043300              0.06916105       
 12     20.2118700             -0.02113084       
 13      9.5747510             -0.2666832        
 14      4.5403460             -0.4367591        
 15      1.9956870              0.06498243       
 16      0.9422150              0.7009599        
 17      0.4178450              0.4515562        
 18      0.0957610              0.0301191        
 19      0.0513510             -0.0132948        
S   19
  1 2715278.0000000            -2.201951E-07     
  2 406598.4000000             -1.711419E-06     
  3  92530.0400000             -9.008469E-06     
  4  26207.9200000             -3.799997E-05     
  5   8549.4290000             -0.0001383227     
  6   3085.9750000             -0.0004473692     
  7   1203.1720000             -0.001310691      
  8    498.4869000             -0.00342986       
  9    216.7360000             -0.007847579      
 10     97.8747600             -0.01447189       
 11     45.2043300             -0.01690669       
 12     20.2118700              0.005396115      
 13      9.5747510              0.06671062       
 14      4.5403460              0.1178356        
 15      1.9956870             -0.02738134       
 16      0.9422150             -0.2260149        
 17      0.4178450             -0.3073539        
 18      0.0957610              0.2544054        
 19      0.0513510              0.5981590        
S   19
  1 2715278.0000000            -3.757238E-07     
  2 406598.4000000             -2.981907E-06     
  3  92530.0400000             -1.522586E-05     
  4  26207.9200000             -6.684686E-05     
  5   8549.4290000             -0.0002313129     
  6   3085.9750000             -0.0007959729     
  7   1203.1720000             -0.002161961      
  8    498.4869000             -0.006206459      
  9    216.7360000             -0.01261905       
 10     97.8747600             -0.02739459       
 11     45.2043300             -0.02336516       
 12     20.2118700             -0.005734627      
 13      9.5747510              0.1536025        
 14      4.5403460              0.1447100        
 15      1.9956870              0.09359699       
 16      0.9422150             -0.8687730        
 17      0.4178450              0.02114597       
 18      0.0957610              2.2754980        
 19      0.0513510             -1.1907700        
S   19
  1 2715278.0000000            -5.962768E-07     
  2 406598.4000000             -4.822853E-06     
  3  92530.0400000             -2.395005E-05     
  4  26207.9200000             -0.0001090335     
  5   8549.4290000             -0.0003601944     
  6   3085.9750000             -0.001311233      
  7   1203.1720000             -0.003322435      
  8    498.4869000             -0.0103752        
  9    216.7360000             -0.01892174       
 10     97.8747600             -0.04755287       
 11     45.2043300             -0.02931692       
 12     20.2118700             -0.03090088       
 13      9.5747510              0.3074597        
 14      4.5403460              0.1803100        
 15      1.9956870              0.2358178        
 16      0.9422150             -2.3885440        
 17      0.4178450              2.3294070        
 18      0.0957610              0.9918252        
 19      0.0513510             -3.5072400        
S   1
  1      0.0238780              1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1  10592.1900000              0.0000450        
  2   2507.5330000              0.0004010        
  3    814.4571000              0.0023020        
  4    311.5195000              0.0100370        
  5    131.9617000              0.0349540        
  6     59.9871800              0.0979090        
  7     28.6625000              0.2106800        
  8     14.1085100              0.3300930        
  9      7.1037060              0.3310270        
 10      3.6092000              0.1579600        
 11      1.7760700              0.0220990        
 12      0.8547600             -0.0016050        
 13      0.4022390             -0.0013260        
 14      0.1546650             -0.0002800        
 15      0.0649450              0.0000340        
P   15
  1  10592.1900000             -0.0000150        
  2   2507.5330000             -0.0001310        
  3    814.4571000             -0.0007570        
  4    311.5195000             -0.0033180        
  5    131.9617000             -0.0117060        
  6     59.9871800             -0.0336040        
  7     28.6625000             -0.0748790        
  8     14.1085100             -0.1225480        
  9      7.1037060             -0.1302760        
 10      3.6092000              0.0145960        
 11      1.7760700              0.3091840        
 12      0.8547600              0.4629980        
 13      0.4022390              0.3049570        
 14      0.1546650              0.0508780        
 15      0.0649450             -0.0044930        
P   15
  1  10592.1900000             -0.0000040        
  2   2507.5330000             -0.0000320        
  3    814.4571000             -0.0001850        
  4    311.5195000             -0.0008080        
  5    131.9617000             -0.0028700        
  6     59.9871800             -0.0082070        
  7     28.6625000             -0.0184730        
  8     14.1085100             -0.0301010        
  9      7.1037060             -0.0329430        
 10      3.6092000              0.0079580        
 11      1.7760700              0.0879930        
 12      0.8547600              0.1523770        
 13      0.4022390              0.0971700        
 14      0.1546650             -0.2569380        
 15      0.0649450             -0.5878150        
P   15
  1  10592.1900000              0.0000040        
  2   2507.5330000              0.0000390        
  3    814.4571000              0.0002210        
  4    311.5195000              0.0009840        
  5    131.9617000              0.0034230        
  6     59.9871800              0.0099930        
  7     28.6625000              0.0219160        
  8     14.1085100              0.0370080        
  9      7.1037060              0.0377940        
 10      3.6092000             -0.0043790        
 11      1.7760700             -0.1101640        
 12      0.8547600             -0.1610170        
 13      0.4022390             -0.1824820        
 14      0.1546650              0.3886110        
 15      0.0649450              0.6911000        
P   15
  1  10592.1900000              0.0000090        
  2   2507.5330000              0.0000740        
  3    814.4571000              0.0004790        
  4    311.5195000              0.0018690        
  5    131.9617000              0.0074240        
  6     59.9871800              0.0187630        
  7     28.6625000              0.0487170        
  8     14.1085100              0.0654400        
  9      7.1037060              0.1079480        
 10      3.6092000             -0.0587130        
 11      1.7760700             -0.1703060        
 12      0.8547600             -0.7549770        
 13      0.4022390              0.6201170        
 14      0.1546650              1.1675480        
 15      0.0649450             -1.0095310        
P   1
  1      0.0263590              1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1     50.5138000              0.0042660        
  2     14.7405000              0.0277080        
  3      5.1950000              0.1000010        
  4      2.0284600              0.2315810        
  5      0.8040860              0.3460330        
  6      0.3076890              0.3733740        
  7      0.1113920              0.2642880        
D   7
  1     50.5138000             -0.0043890        
  2     14.7405000             -0.0283630        
  3      5.1950000             -0.1051370        
  4      2.0284600             -0.2348540        
  5      0.8040860             -0.3246090        
  6      0.3076890             -0.0642890        
  7      0.1113920              0.6017490        
D   7
  1     50.5138000              0.0058590        
  2     14.7405000              0.0373230        
  3      5.1950000              0.1419240        
  4      2.0284600              0.3068960        
  5      0.8040860              0.3081890        
  6      0.3076890             -0.7607170        
  7      0.1113920             -0.2047750        
D   1
  1      0.0373520              1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   1
  1      0.7267000              1.0000000        
F   1
  1      0.1665000              1.0000000        
F   1
  1      4.063000E-02           1.0000000        
G   1
  1      0.4187000              1.0000000        
G   1
  1      9.473000E-02           1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ti
data:
TITANIUM
S   19
  1 3014643.0000000             8.060782E-06     
  2 451432.9000000              6.267518E-05     
  3 102733.8000000              0.0003295006     
  4  29098.1700000              0.001389203      
  5   9492.3300000              0.005028469      
  6   3426.3460000              0.01610419       
  7   1335.8960000              0.04581232       
  8    553.5026000              0.1128613        
  9    240.6925000              0.2248193        
 10    108.7293000              0.3114571        
 11     50.2645700              0.2224995        
 12     22.5800400              0.07293128       
 13     10.7143200              0.1160683        
 14      5.0935460              0.1194774        
 15      2.2441830              0.02097868       
 16      1.0595700             -0.0005091715     
 17      0.4688490              0.0002217859     
 18      0.1061430             -7.636896E-05     
 19      0.0552620              7.719539E-05     
S   19
  1 3014643.0000000            -4.630486E-06     
  2 451432.9000000             -3.600451E-05     
  3 102733.8000000             -0.000189342      
  4  29098.1700000             -0.0007988781     
  5   9492.3300000             -0.002898698      
  6   3426.3460000             -0.009339701      
  7   1335.8960000             -0.02697464       
  8    553.5026000             -0.06878913       
  9    240.6925000             -0.1481037        
 10    108.7293000             -0.2445253        
 11     50.2645700             -0.2419916        
 12     22.5800400              0.0318379        
 13     10.7143200              0.4932686        
 14      5.0935460              0.4939655        
 15      2.2441830              0.09196313       
 16      1.0595700             -0.005316992      
 17      0.4688490              0.0008085624     
 18      0.1061430             -0.0006918459     
 19      0.0552620              0.0006086512     
S   19
  1 3014643.0000000             9.230559E-07     
  2 451432.9000000              7.178974E-06     
  3 102733.8000000              3.775134E-05     
  4  29098.1700000              0.0001594532     
  5   9492.3300000              0.000579515      
  6   3426.3460000              0.001878414      
  7   1335.8960000              0.005492747      
  8    553.5026000              0.01443297       
  9    240.6925000              0.03296408       
 10    108.7293000              0.06125493       
 11     50.2645700              0.07134113       
 12     22.5800400             -0.0197315        
 13     10.7143200             -0.2741869        
 14      5.0935460             -0.4440977        
 15      2.2441830              0.07776084       
 16      1.0595700              0.7068444        
 17      0.4688490              0.4413892        
 18      0.1061430              0.02799769       
 19      0.0552620             -0.0121079        
S   19
  1 3014643.0000000            -2.180323E-07     
  2 451432.9000000             -1.69486E-06      
  3 102733.8000000             -8.919208E-06     
  4  29098.1700000             -3.763633E-05     
  5   9492.3300000             -0.0001369575     
  6   3426.3460000             -0.0004432894     
  7   1335.8960000             -0.001298868      
  8    553.5026000             -0.003406752      
  9    240.6925000             -0.007810829      
 10    108.7293000             -0.01449245       
 11     50.2645700             -0.01708136       
 12     22.5800400              0.004897666      
 13     10.7143200              0.06753108       
 14      5.0935460              0.1173318        
 15      2.2441830             -0.02985025       
 16      1.0595700             -0.2277634        
 17      0.4688490             -0.2928115        
 18      0.1061430              0.2665300        
 19      0.0552620              0.5912406        
S   19
  1 3014643.0000000            -3.975126E-07     
  2 451432.9000000             -3.16108E-06      
  3 102733.8000000             -1.609375E-05     
  4  29098.1700000             -7.092947E-05     
  5   9492.3300000             -0.000244271      
  6   3426.3460000             -0.0008457892     
  7   1335.8960000             -0.002282208      
  8    553.5026000             -0.006619873      
  9    240.6925000             -0.01335024       
 10    108.7293000             -0.0295583        
 11     50.2645700             -0.02477039       
 12     22.5800400             -0.008414624      
 13     10.7143200              0.1693855        
 14      5.0935460              0.1500787        
 15      2.2441830              0.09787777       
 16      1.0595700             -0.9653608        
 17      0.4688490              0.1489721        
 18      0.1061430              2.1911790        
 19      0.0552620             -1.2433250        
S   19
  1 3014643.0000000            -6.302483E-07     
  2 451432.9000000             -5.084585E-06     
  3 102733.8000000             -2.534482E-05     
  4  29098.1700000             -0.000114826      
  5   9492.3300000             -0.0003817497     
  6   3426.3460000             -0.001379645      
  7   1335.8960000             -0.003531666      
  8    553.5026000             -0.01092225       
  9    240.6925000             -0.02029554       
 10    108.7293000             -0.05024404       
 11     50.2645700             -0.03316309       
 12     22.5800400             -0.03098063       
 13     10.7143200              0.3244673        
 14      5.0935460              0.2155689        
 15      2.2441830              0.1499616        
 16      1.0595700             -2.4207410        
 17      0.4688490              2.5308740        
 18      0.1061430              0.3423600        
 19      0.0552620             -2.7337220        
S   1
  1      0.0254650              1.0000000        
S   1
  1      0.0117300              1.0000000        
P   15
  1  11912.0300000              0.0000440        
  2   2819.9470000              0.0003910        
  3    915.9479000              0.0022480        
  4    350.3842000              0.0098230        
  5    148.4825000              0.0343380        
  6     67.5394400              0.0966660        
  7     32.3033200              0.2094170        
  8     15.9278600              0.3301890        
  9      8.0380350              0.3319360        
 10      4.0939160              0.1584880        
 11      2.0223900              0.0223100        
 12      0.9761020             -0.0015660        
 13      0.4595950             -0.0013240        
 14      0.1771520             -0.0002710        
 15      0.0735170              0.0000320        
P   15
  1  11912.0300000             -0.0000150        
  2   2819.9470000             -0.0001310        
  3    915.9479000             -0.0007550        
  4    350.3842000             -0.0033190        
  5    148.4825000             -0.0117500        
  6     67.5394400             -0.0339220        
  7     32.3033200             -0.0761640        
  8     15.9278600             -0.1257020        
  9      8.0380350             -0.1330980        
 10      4.0939160              0.0174060        
 11      2.0223900              0.3151650        
 12      0.9761020              0.4618140        
 13      0.4595950              0.2998560        
 14      0.1771520              0.0500000        
 15      0.0735170             -0.0042300        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000310        
  3    915.9479000              0.0001820        
  4    350.3842000              0.0007950        
  5    148.4825000              0.0028330        
  6     67.5394400              0.0081540        
  7     32.3033200              0.0184720        
  8     15.9278600              0.0304000        
  9      8.0380350              0.0330470        
 10      4.0939160             -0.0082510        
 11      2.0223900             -0.0885540        
 12      0.9761020             -0.1496120        
 13      0.4595950             -0.0942270        
 14      0.1771520              0.2508460        
 15      0.0735170              0.5866430        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000390        
  3    915.9479000              0.0002230        
  4    350.3842000              0.0009920        
  5    148.4825000              0.0034760        
  6     67.5394400              0.0101720        
  7     32.3033200              0.0225760        
  8     15.9278600              0.0382380        
  9      8.0380350              0.0393370        
 10      4.0939160             -0.0061060        
 11      2.0223900             -0.1129620        
 12      0.9761020             -0.1681140        
 13      0.4595950             -0.1659320        
 14      0.1771520              0.3914030        
 15      0.0735170              0.6818400        
P   15
  1  11912.0300000              0.0000090        
  2   2819.9470000              0.0000730        
  3    915.9479000              0.0004680        
  4    350.3842000              0.0018560        
  5    148.4825000              0.0072930        
  6     67.5394400              0.0188560        
  7     32.3033200              0.0484050        
  8     15.9278600              0.0673780        
  9      8.0380350              0.1045410        
 10      4.0939160             -0.0537600        
 11      2.0223900             -0.1917490        
 12      0.9761020             -0.6947200        
 13      0.4595950              0.5601620        
 14      0.1771520              1.1813360        
 15      0.0735170             -0.9932720        
P   1
  1      0.0294010              1.0000000        
P   1
  1      0.0117600              1.0000000        
D   7
  1     64.0130000              0.0038870        
  2     18.8179000              0.0263990        
  3      6.7287000              0.0975110        
  4      2.6641300              0.2328480        
  5      1.0786800              0.3531520        
  6      0.4232090              0.3721860        
  7      0.1559990              0.2476720        
D   7
  1     64.0130000             -0.0039700        
  2     18.8179000             -0.0268730        
  3      6.7287000             -0.1022750        
  4      2.6641300             -0.2377280        
  5      1.0786800             -0.3121140        
  6      0.4232090             -0.0423780        
  7      0.1559990              0.5886580        
D   7
  1     64.0130000              0.0064180        
  2     18.8179000              0.0438090        
  3      6.7287000              0.1723250        
  4      2.6641300              0.3753320        
  5      1.0786800              0.2249470        
  6      0.4232090             -0.7919070        
  7      0.1559990             -0.1044280        
D   1
  1      0.0518840              1.0000000        
D   1
  1      0.0172600              1.0000000        
F   1
  1      1.2483000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0826600              1.0000000        
G   1
  1      0.7251000              1.0000000        
G   1
  1      0.2114800              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             8.039999E-06     
  2 497435.6000000              6.251402E-05     
  3 113202.7000000              0.0003286553     
  4  32063.3300000              0.001385697      
  5  10459.6200000              0.005016217      
  6   3775.5060000              0.01606931       
  7   1472.0400000              0.04574242       
  8    609.9331000              0.1128544        
  9    265.2634000              0.2254344        
 10    119.8607000              0.3140461        
 11     55.4489100              0.2267819        
 12     24.9837200              0.07334069       
 13     11.8805600              0.1102474        
 14      5.6603110              0.1131358        
 15      2.4957030              0.01971295       
 16      1.1778660             -0.0004719088     
 17      0.5200440              0.0001861606     
 18      0.1159650             -6.208598E-05     
 19      0.0589380              7.295314E-05     
S   19
  1 3321857.0000000            -4.503003E-06     
  2 497435.6000000             -3.501295E-05     
  3 113202.7000000             -0.0001841339     
  4  32063.3300000             -0.0007769216     
  5  10459.6200000             -0.002819505      
  6   3775.5060000             -0.009087486      
  7   1472.0400000             -0.02627134       
  8    609.9331000             -0.06712726       
  9    265.2634000             -0.1451130        
 10    119.8607000             -0.2412483        
 11     55.4489100             -0.2416314        
 12     24.9837200              0.03067362       
 13     11.8805600              0.4970415        
 14      5.6603110              0.4958875        
 15      2.4957030              0.09181868       
 16      1.1778660             -0.005392514      
 17      0.5200440              0.000710238      
 18      0.1159650             -0.0006363128     
 19      0.0589380              0.0005979932     
S   19
  1 3321857.0000000             9.320648E-07     
  2 497435.6000000              7.249306E-06     
  3 113202.7000000              3.811967E-05     
  4  32063.3300000              0.0001610238     
  5  10459.6200000              0.000585221      
  6   3775.5060000              0.001897502      
  7   1472.0400000              0.005550909      
  8    609.9331000              0.01460584       
  9    265.2634000              0.03342974       
 10    119.8607000              0.06235722       
 11     55.4489100              0.07312435       
 12     24.9837200             -0.01911472       
 13     11.8805600             -0.2817249        
 14      5.6603110             -0.4488151        
 15      2.4957030              0.09202696       
 16      1.1778660              0.7110117        
 17      0.5200440              0.4309274        
 18      0.1159650              0.02604589       
 19      0.0589380             -0.01101049       
S   19
  1 3321857.0000000            -2.158944E-07     
  2 497435.6000000             -1.678519E-06     
  3 113202.7000000             -8.831213E-06     
  4  32063.3300000             -3.727769E-05     
  5  10459.6200000             -0.0001356099     
  6   3775.5060000             -0.0004392351     
  7   1472.0400000             -0.001286948      
  8    609.9331000             -0.003382149      
  9    265.2634000             -0.007765646      
 10    119.8607000             -0.01447985       
 11     55.4489100             -0.01715502       
 12     24.9837200              0.004610101      
 13     11.8805600              0.06827831       
 14      5.6603110              0.1161368        
 15      2.4957030             -0.03277049       
 16      1.1778660             -0.2280000        
 17      0.5200440             -0.2793991        
 18      0.1159650              0.2771165        
 19      0.0589380              0.5852999        
S   19
  1 3321857.0000000            -4.093416E-07     
  2 497435.6000000             -3.258956E-06     
  3 113202.7000000             -1.65639E-05      
  4  32063.3300000             -7.316689E-05     
  5  10459.6200000             -0.0002512784     
  6   3775.5060000             -0.0008732657     
  7   1472.0400000             -0.002347654      
  8    609.9331000             -0.00685315       
  9    265.2634000             -0.0137642        
 10    119.8607000             -0.03084679       
 11     55.4489100             -0.02562208       
 12     24.9837200             -0.01005123       
 13     11.8805600              0.1795330        
 14      5.6603110              0.1522400        
 15      2.4957030              0.09483887       
 16      1.1778660             -1.0148760        
 17      0.5200440              0.2308810        
 18      0.1159650              2.1133210        
 19      0.0589380             -1.2530480        
S   19
  1 3321857.0000000            -6.539963E-07     
  2 497435.6000000             -5.267399E-06     
  3 113202.7000000             -2.632092E-05     
  4  32063.3300000             -0.0001188719     
  5  10459.6200000             -0.0003968552     
  6   3775.5060000             -0.00142746       
  7   1472.0400000             -0.003679181      
  8    609.9331000             -0.01130774       
  9    265.2634000             -0.02128221       
 10    119.8607000             -0.05218271       
 11     55.4489100             -0.03599014       
 12     24.9837200             -0.03088759       
 13     11.8805600              0.3380657        
 14      5.6603110              0.2389559        
 15      2.4957030              0.07609068       
 16      1.1778660             -2.4081130        
 17      0.5200440              2.6335920        
 18      0.1159650             -0.0535851        
 19      0.0589380             -2.2301350        
S   1
  1      0.0269460              1.0000000        
S   1
  1      0.0123200              1.0000000        
P   15
  1  13273.2000000              0.0000430        
  2   3142.1260000              0.0003840        
  3   1020.5880000              0.0022100        
  4    390.4407000              0.0096780        
  5    165.5043000              0.0339360        
  6     75.3200600              0.0959170        
  7     36.0550300              0.2088530        
  8     17.8043600              0.3306600        
  9      9.0029290              0.3323120        
 10      4.5945440              0.1581880        
 11      2.2767600              0.0222520        
 12      1.1011780             -0.0015650        
 13      0.5186380             -0.0013530        
 14      0.2005650             -0.0002650        
 15      0.0812910              0.0000290        
P   15
  1  13273.2000000             -0.0000150        
  2   3142.1260000             -0.0001310        
  3   1020.5880000             -0.0007550        
  4    390.4407000             -0.0033250        
  5    165.5043000             -0.0118110        
  6     75.3200600             -0.0342560        
  7     36.0550300             -0.0773630        
  8     17.8043600             -0.1284560        
  9      9.0029290             -0.1350780        
 10      4.5945440              0.0208380        
 11      2.2767600              0.3204990        
 12      1.1011780              0.4602600        
 13      0.5186380              0.2953460        
 14      0.2005650              0.0490460        
 15      0.0812910             -0.0038240        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000320        
  3   1020.5880000              0.0001830        
  4    390.4407000              0.0008020        
  5    165.5043000              0.0028620        
  6     75.3200600              0.0082870        
  7     36.0550300              0.0188700        
  8     17.8043600              0.0313070        
  9      9.0029290              0.0336600        
 10      4.5945440             -0.0094790        
 11      2.2767600             -0.0923130        
 12      1.1011780             -0.1489890        
 13      0.5186380             -0.0836440        
 14      0.2005650              0.2493390        
 15      0.0812910              0.5805150        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000390        
  3   1020.5880000              0.0002230        
  4    390.4407000              0.0009960        
  5    165.5043000              0.0034980        
  6     75.3200600              0.0102960        
  7     36.0550300              0.0229620        
  8     17.8043600              0.0392080        
  9      9.0029290              0.0399430        
 10      4.5945440             -0.0071210        
 11      2.2767600             -0.1162250        
 12      1.1011780             -0.1694960        
 13      0.5186380             -0.1553740        
 14      0.2005650              0.3950220        
 15      0.0812910              0.6789080        
P   15
  1  13273.2000000              0.0000090        
  2   3142.1260000              0.0000750        
  3   1020.5880000              0.0004790        
  4    390.4407000              0.0019060        
  5    165.5043000              0.0075120        
  6     75.3200600              0.0195300        
  7     36.0550300              0.0504020        
  8     17.8043600              0.0706850        
  9      9.0029290              0.1087750        
 10      4.5945440             -0.0585360        
 11      2.2767600             -0.2154480        
 12      1.1011780             -0.6773420        
 13      0.5186380              0.5859790        
 14      0.2005650              1.1291080        
 15      0.0812910             -0.9740510        
P   1
  1      0.0317950              1.0000000        
P   1
  1      0.0124400              1.0000000        
D   7
  1     77.6115000              0.0035950        
  2     22.9159000              0.0252100        
  3      8.2795400              0.0947860        
  4      3.3099300              0.2303630        
  5      1.3586300              0.3528940        
  6      0.5413500              0.3704140        
  7      0.2023560              0.2457180        
D   7
  1     77.6115000             -0.0038180        
  2     22.9159000             -0.0267170        
  3      8.2795400             -0.1036900        
  4      3.3099300             -0.2476890        
  5      1.3586300             -0.3115230        
  6      0.5413500             -0.0228270        
  7      0.2023560              0.5697260        
D   7
  1     77.6115000              0.0060010        
  2     22.9159000              0.0422060        
  3      8.2795400              0.1707510        
  4      3.3099300              0.3855180        
  5      1.3586300              0.2062040        
  6      0.5413500             -0.7786690        
  7      0.2023560             -0.1147210        
D   1
  1      0.0675680              1.0000000        
D   1
  1      0.0225600              1.0000000        
F   1
  1      1.7749000              1.0000000        
F   1
  1      0.4125000              1.0000000        
F   1
  1      0.1311200              1.0000000        
G   1
  1      1.1368000              1.0000000        
G   1
  1      0.3846500              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cr
data:
CHROMIUM
S   19
  1 6177194.0000000             4.128667E-06     
  2 924929.5000000              3.210767E-05     
  3 210486.5000000              0.0001688416     
  4  59620.0500000              0.000712852      
  5  19450.7600000              0.002589325      
  6   7022.0560000              0.00837735       
  7   2738.7630000              0.02441725       
  8   1135.8140000              0.06365135       
  9    495.0923000              0.1427618        
 10    224.7487000              0.2541275        
 11    105.3836000              0.3009512        
 12     50.1935900              0.1766513        
 13     22.2495700              0.06936709       
 14     10.9826500              0.1179579        
 15      5.3836650              0.08916187       
 16      2.3436850              0.0110363        
 17      1.1052020             -0.0003546048     
 18      0.4878480              0.0001057311     
 19      0.0895990              1.11464E-05      
S   19
  1 6177194.0000000            -2.301772E-06     
  2 924929.5000000             -1.789536E-05     
  3 210486.5000000             -9.416174E-05     
  4  59620.0500000             -0.0003975074     
  5  19450.7600000             -0.001447025      
  6   7022.0560000             -0.004694622      
  7   2738.7630000             -0.01382387       
  8   1135.8140000             -0.03674643       
  9    495.0923000             -0.08647185       
 10    224.7487000             -0.1696735        
 11    105.3836000             -0.2507089        
 12     50.1935900             -0.1961156        
 13     22.2495700              0.1457244        
 14     10.9826500              0.5466706        
 15      5.3836650              0.3979434        
 16      2.3436850              0.05277007       
 17      1.1052020             -0.004374537      
 18      0.4878480              0.0003204035     
 19      0.0895990             -5.142077E-05     
S   19
  1 6177194.0000000             4.862957E-07     
  2 924929.5000000              3.776645E-06     
  3 210486.5000000              1.990664E-05     
  4  59620.0500000              8.389164E-05     
  5  19450.7600000              0.0003065706     
  6   7022.0560000              0.0009944107     
  7   2738.7630000              0.002961959      
  8   1135.8140000              0.007969473      
  9    495.0923000              0.01955017       
 10    224.7487000              0.04085035       
 11    105.3836000              0.06929003       
 12     50.1935900              0.06146984       
 13     22.2495700             -0.06981302       
 14     10.9826500             -0.3517597        
 15      5.3836650             -0.3828629        
 16      2.3436850              0.2676401        
 17      1.1052020              0.7175950        
 18      0.4878480              0.3020814        
 19      0.0895990              0.007749514      
S   19
  1 6177194.0000000            -1.102451E-07     
  2 924929.5000000             -8.530233E-07     
  3 210486.5000000             -4.520358E-06     
  4  59620.0500000             -1.891612E-05     
  5  19450.7600000             -6.974344E-05     
  6   7022.0560000             -0.0002237867     
  7   2738.7630000             -0.0006754503     
  8   1135.8140000             -0.001789346      
  9    495.0923000             -0.004477858      
 10    224.7487000             -0.009140144      
 11    105.3836000             -0.01610562       
 12     50.1935900             -0.0133487        
 13     22.2495700              0.01426027       
 14     10.9826500              0.0893169        
 15      5.3836650              0.08885279       
 16      2.3436850             -0.06368776       
 17      1.1052020             -0.2783262        
 18      0.4878480             -0.1830071        
 19      0.0895990              0.6790937        
S   19
  1 6177194.0000000             2.179893E-07     
  2 924929.5000000              1.61294E-06      
  3 210486.5000000              9.111842E-06     
  4  59620.0500000              3.500645E-05     
  5  19450.7600000              0.0001435315     
  6   7022.0560000              0.0004035896     
  7   2738.7630000              0.001425177      
  8   1135.8140000              0.003114009      
  9    495.0923000              0.009814449      
 10    224.7487000              0.01474698       
 11    105.3836000              0.03911512       
 12     50.1935900              0.009170888      
 13     22.2495700              0.01559878       
 14     10.9826500             -0.2816844        
 15      5.3836650             -0.006895261      
 16      2.3436850             -0.1769781        
 17      1.1052020              1.4430610        
 18      0.4878480             -1.0293180        
 19      0.0895990             -1.3076670        
S   19
  1 6177194.0000000            -3.669010E-07     
  2 924929.5000000             -2.768353E-06     
  3 210486.5000000             -1.521014E-05     
  4  59620.0500000             -6.066288E-05     
  5  19450.7600000             -0.0002374959     
  6   7022.0560000             -0.0007077071     
  7   2738.7630000             -0.002334389      
  8   1135.8140000             -0.005555062      
  9    495.0923000             -0.01585142       
 10    224.7487000             -0.02737888       
 11    105.3836000             -0.06106975       
 12     50.1935900             -0.02887227       
 13     22.2495700              0.006813714      
 14     10.9826500              0.4327670        
 15      5.3836650              0.1968410        
 16      2.3436850             -0.3764657        
 17      1.1052020             -2.0524730        
 18      0.4878480              2.9757410        
 19      0.0895990             -2.2117050        
S   1
  1      0.0334230              1.0000000        
S   1
  1      0.0124700              1.0000000        
P   15
  1  14454.2000000              0.0000440        
  2   3421.6760000              0.0003890        
  3   1111.3870000              0.0022410        
  4    425.1918000              0.0098210        
  5    180.2623000              0.0344710        
  6     82.0611700              0.0974600        
  7     39.2972600              0.2119850        
  8     19.4195900              0.3339900        
  9      9.8288990              0.3301370        
 10      5.0168100              0.1522270        
 11      2.4870910              0.0204250        
 12      1.1987800             -0.0013600        
 13      0.5586950             -0.0011950        
 14      0.2089240             -0.0001970        
 15      0.0846080              0.0000230        
P   15
  1  14454.2000000             -0.0000150        
  2   3421.6760000             -0.0001350        
  3   1111.3870000             -0.0007770        
  4    425.1918000             -0.0034270        
  5    180.2623000             -0.0121890        
  6     82.0611700             -0.0353880        
  7     39.2972600             -0.0799150        
  8     19.4195900             -0.1323350        
  9      9.8288990             -0.1354010        
 10      5.0168100              0.0320080        
 11      2.4870910              0.3338490        
 12      1.1987800              0.4617730        
 13      0.5586950              0.2812900        
 14      0.2089240              0.0418430        
 15      0.0846080             -0.0040020        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000320        
  3   1111.3870000              0.0001850        
  4    425.1918000              0.0008100        
  5    180.2623000              0.0029060        
  6     82.0611700              0.0083910        
  7     39.2972600              0.0191930        
  8     19.4195900              0.0315640        
  9      9.8288990              0.0334170        
 10      5.0168100             -0.0129070        
 11      2.4870910             -0.0936590        
 12      1.1987800             -0.1499770        
 13      0.5586950             -0.0672340        
 14      0.2089240              0.2707590        
 15      0.0846080              0.5758070        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000400        
  3   1111.3870000              0.0002290        
  4    425.1918000              0.0010190        
  5    180.2623000              0.0036020        
  6     82.0611700              0.0105500        
  7     39.2972600              0.0237020        
  8     19.4195900              0.0399880        
  9      9.8288990              0.0404370        
 10      5.0168100             -0.0120740        
 11      2.4870910             -0.1189390        
 12      1.1987800             -0.1781000        
 13      0.5586950             -0.1238650        
 14      0.2089240              0.4297220        
 15      0.0846080              0.6507860        
P   15
  1  14454.2000000              0.0000100        
  2   3421.6760000              0.0000790        
  3   1111.3870000              0.0005120        
  4    425.1918000              0.0020230        
  5    180.2623000              0.0080550        
  6     82.0611700              0.0207720        
  7     39.2972600              0.0542240        
  8     19.4195900              0.0746850        
  9      9.8288990              0.1159890        
 10      5.0168100             -0.0765840        
 11      2.4870910             -0.2439310        
 12      1.1987800             -0.6801810        
 13      0.5586950              0.7336640        
 14      0.2089240              0.9991200        
 15      0.0846080             -1.0170810        
P   1
  1      0.0332580              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   7
  1     88.5768000              0.0036210        
  2     26.2045000              0.0257660        
  3      9.5174700              0.0975560        
  4      3.8224800              0.2363120        
  5      1.5751200              0.3582860        
  6      0.6289280              0.3685430        
  7      0.2344240              0.2354940        
D   7
  1     88.5768000             -0.0041220        
  2     26.2045000             -0.0293070        
  3      9.5174700             -0.1150620        
  4      3.8224800             -0.2730680        
  5      1.5751200             -0.3144230        
  6      0.6289280              0.0420970        
  7      0.2344240              0.5914030        
D   7
  1     88.5768000              0.0059540        
  2     26.2045000              0.0425320        
  3      9.5174700              0.1745110        
  4      3.8224800              0.3939000        
  5      1.5751200              0.1492790        
  6      0.6289280             -0.8102450        
  7      0.2344240              0.0109110        
D   1
  1      0.0768150              1.0000000        
D   1
  1      0.0251700              1.0000000        
F   1
  1      2.2510000              1.0000000        
F   1
  1      0.5315000              1.0000000        
F   1
  1      0.1763600              1.0000000        
G   1
  1      1.4459000              1.0000000        
G   1
  1      0.5132900              1.0000000


