atomic number =   22
effective nuclear charge =   22
electron count =   21
net charge =    1
basis set = approximate basis set limit (UGBS)      
exchange correlation functional = PW91                
cutoff radius (picometer) =  500
number of shells =  100
prepared by = Nidia Gabaldon Limas and Thomas A. Manz 
prepared date = 2014                
magnetization =    3
density in atomic units:
0.80032900E+04
0.96209961E+02
0.39041725E+02
0.13980123E+02
0.48441577E+01
0.24495785E+01
0.17433088E+01
0.14617580E+01
0.12472684E+01
0.10203812E+01
0.79954809E+00
0.61657268E+00
0.46055961E+00
0.33642444E+00
0.24864984E+00
0.18346921E+00
0.13373694E+00
0.98585166E-01
0.73150672E-01
0.54417994E-01
0.41143034E-01
0.31754520E-01
0.24641195E-01
0.19327579E-01
0.15439771E-01
0.12454653E-01
0.10155089E-01
0.83860578E-02
0.69699218E-02
0.58418508E-02
0.49536796E-02
0.41920156E-02
0.35816259E-02
0.30717028E-02
0.26359383E-02
0.22676068E-02
0.19510189E-02
0.16806636E-02
0.14527150E-02
0.12563057E-02
0.10844192E-02
0.93888881E-03
0.81201358E-03
0.70346205E-03
0.61030767E-03
0.52708032E-03
0.45552145E-03
0.39552368E-03
0.34224126E-03
0.29617452E-03
0.25623076E-03
0.22144266E-03
0.19165310E-03
0.16606714E-03
0.14379318E-03
0.12443762E-03
0.10750483E-03
0.92917086E-04
0.80348909E-04
0.69467344E-04
0.60073326E-04
0.51904652E-04
0.44871114E-04
0.38770293E-04
0.33467637E-04
0.28958511E-04
0.25043901E-04
0.21608312E-04
0.18636345E-04
0.16067606E-04
0.13864776E-04
0.11965936E-04
0.10314918E-04
0.88978140E-05
0.76639162E-05
0.65969780E-05
0.56764370E-05
0.48838656E-05
0.41994431E-05
0.36137890E-05
0.31052896E-05
0.26633168E-05
0.22827680E-05
0.19554391E-05
0.16764633E-05
0.14376520E-05
0.12313733E-05
0.10535529E-05
0.90102623E-06
0.76872277E-06
0.65646083E-06
0.55965808E-06
0.47626222E-06
0.40568980E-06
0.34493647E-06
0.29300972E-06
0.24900726E-06
0.21116352E-06
0.17873367E-06
0.15129332E-06
