atomic number =   44
effective nuclear charge =   44
electron count =   39
net charge =    5
basis set = approximate basis set limit (UGBS)      
exchange correlation functional = PW91PW91            
cutoff radius (picometer) =  500
number of shells =  100
prepared by = Thomas A. Manz      
prepared date = July 2010           
magnetization =    3
density in atomic units:
0.76358500E+05
0.27618863E+03
0.66859848E+02
0.36895805E+02
0.16749550E+02
0.74722724E+01
0.35504000E+01
0.21246355E+01
0.16150131E+01
0.13048650E+01
0.10328799E+01
0.79972035E+00
0.59197861E+00
0.42228532E+00
0.30150479E+00
0.21284266E+00
0.14683998E+00
0.10183582E+00
0.70711784E-01
0.48888348E-01
0.34265328E-01
0.24485417E-01
0.17507540E-01
0.12623851E-01
0.92756040E-02
0.68793031E-02
0.51624253E-02
0.39393408E-02
0.30320801E-02
0.23639540E-02
0.18752313E-02
0.14880667E-02
0.11986435E-02
0.97284751E-03
0.79197658E-03
0.64816233E-03
0.53146307E-03
0.43706805E-03
0.36156457E-03
0.29970359E-03
0.24800026E-03
0.20644347E-03
0.17178740E-03
0.14342637E-03
0.12008686E-03
0.99994511E-04
0.83332845E-04
0.70039663E-04
0.58556205E-04
0.49032853E-04
0.41104417E-04
0.34448891E-04
0.28949638E-04
0.24405532E-04
0.20556152E-04
0.17297991E-04
0.14552967E-04
0.12254265E-04
0.10340016E-04
0.87352046E-05
0.73681426E-05
0.62070199E-05
0.52293008E-05
0.44011881E-05
0.36957617E-05
0.31149712E-05
0.26290361E-05
0.22043391E-05
0.18561581E-05
0.15623378E-05
0.13181640E-05
0.11204846E-05
0.94925917E-06
0.80562529E-06
0.68217014E-06
0.57722821E-06
0.48999135E-06
0.41486012E-06
0.35178402E-06
0.29734298E-06
0.25094025E-06
0.21167355E-06
0.17775864E-06
0.14909362E-06
0.12549393E-06
0.10499037E-06
0.87949388E-07
0.73502385E-07
0.61405053E-07
0.51019313E-07
0.42419849E-07
0.35172924E-07
0.28948149E-07
0.23934351E-07
0.19694937E-07
0.16144998E-07
0.13251214E-07
0.10835461E-07
0.88740784E-08
0.72153639E-08
