DMol numerical basis set data:   BASFILE release Dmol In v 400
 must be logically linked
basis_sets n... determines selection
 min=0 DN=1 DND=2 DNP=3 (extended=4, all=5)
followed by basis data in INATOM format
element   1
basis_sets 0135555555555555555555555555555555555555
1.,0,0,0,0,            
1.,0,0,1,2,
1.3,2,0,-1,-1,
1,0,0.,0.,
2,1,0.,0.,
4.,2,0,-1,-1,
2,1,0.,0.,
1,0,0.,0.,
element   2
basis_sets 0135555555555555555555555555555555555555
2.,0,0,0,0,            
2.,0,0,1,2,
2.,2,0,-1,-1,
1,0,-1.,0.,
2,1,0.,0.,
4.,2,0,-1,-1,
2,1,0.,0.,
1,0,0.,0.,
element   3
basis_sets 0000115255555555555555555555555555555555
3.,0,0,0,0,              
3.,0,0,1,2,
3.,2,0,1,-1,
2,0,-1.,0.,
2,1,0.,0.,
5.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element   4
basis_sets 0000115255555555555555555555555555555555
4.,0,0,0,0,              
4.,0,0,1,2,
4.,2,0,1,-1,
2,0,-1.,0.,
2,1,0.,0.,
5.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element   5
basis_sets 0001125555555555555555555555555555555555
5.,0,0,0,0,             
5.,0,0,1,2,
5.,2,0,1,-1,
2,0,-1.,0.,
2,1,-1.,0.,
5.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element   6
basis_sets 0001125555555555555555555555555555555555
6.,0,0,0,0,             
6.,0,0,1,2,
6.,1,0,1,-1,
2,1,-2.,0.,
5.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,           
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element   7
basis_sets 0001125555555555555555555555555555555555
7.,0,0,0,0,             
7.,0,0,1,2,
7.,1,0,1,-1,
2,1,-2.,0.,
5.,3,0,-1,-1,          
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,         
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element   8
basis_sets 0001125555555555555555555555555555555555
8.,0,0,0,0,             
8.,0,0,1,2,
8.,1,0,1,-1,
2,1,-2.,0.,
5.,3,0,-1,-1,        
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,       
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element   9
basis_sets 0001125555555555555555555555555555555555
9.,0,0,0,0,             
9.,0,0,1,2,
9.,1,0,1,-1,
2,1,-2.,0.,
5.,3,0,-1,-1,        
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,       
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element  10
basis_sets 0001125555555555555555555555555555555555
10.,0,0,0,0,             
10.,0,0,1,2,
10.,1,0,1,-1,
2,1,-2.,0.,
5.,3,0,-1,-1,        
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
7.,3,0,-1,-1,       
3,2,0.,0.,
2,1,0.,0.,
1,0,0.,0.,
element  11
basis_sets 0000111525555555555555555555555555555555
11.,0,0,0,0,             
11.,0,0,1,2,
11.,4,0,1,-1
2,1,-1.,0.,
3,0,-1.,0.,
3,1,0.,0.,
3,2,0.,0.,
element  12
basis_sets 0000111525555555555555555555555555555555
12.,0,0,0,0,             
12.,0,0,1,2,
12.,3,0,1,-1
3,0,-2.,0.,
3,1,0.,0.,
3,2,0.,0.,
element  13
basis_sets 0000011255555555555555555555555555555555
13.,0,0,0,0,             
13.,0,0,1,2,
13.,3,0,1,-1
3,0,-1.,0.,
3,1,-1.,0.,
3,2,0.,0.,
element  14
basis_sets 0000011255555555555555555555555555555555
14.,0,0,0,0,             
14.,0,0,1,2,
14.,2,0,1,-1
3,1,-2.,0.,
3,2,0.,0.,
element  15
basis_sets 0000011255555555555555555555555555555555
15.,0,0,0,0,            
15.,0,0,1,2,
15.,2,0,1,-1
3,1,-2.,0.,
3,2,0.,0.,
element  16
basis_sets 0000011255555555555555555555555555555555
16.,0,0,0,0,            
16.,0,0,1,2,
16.,2,0,1,-1
3,1,-2.,0.,
3,2,0.,0.,
element  17
basis_sets 0000011255555555555555555555555555555555
17.,0,0,0,0,             
17.,0,0,1,2,
17.,2,0,1,-1
3,1,-2.,0.,
3,2,0.,0.,
element  18
basis_sets 0000011255555555555555555555555555555555
18.,0,0,0,0,            
18.,0,0,1,2,
18.,2,0,1,-1
3,1,-2.,0.,
3,2,0.,0.,
element  19
basis_sets 0000001152555555555555555555555555555555
19.,0,0,0,0,            
19.,0,0,1,2,
19.,4,0,1,-1,
3,1,-1.,0.,
4,0,-1.,0.,
4,1,0.,0.,
3,2,0.,0.,
element  20
basis_sets 0000001152555555555555555555555555555555
20.,0,0,0,0,            
20.,0,0,1,2,
20.,3,0,1,-1,
4,0,-1.,-1.,
4,1,0.,0.,
3,2,0.,0.,
element  21
basis_sets 0000000112555555555555555555555555555555
21.,0,0,0,0,             
21.,0,0,1,2,
21.,2,0,1,-1,
4,0,-1.,-1.,
4,1,0.,0.,
element  22
basis_sets 0000000112555555555555555555555555555555
22.,0,0,0,0,            
22.,0,0,1,2,
22.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  23
basis_sets 0000000112555555555555555555555555555555
23.,0,0,0,0,             
23.,0,0,1,2,
23.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  24
basis_sets 0000000112555555555555555555555555555555
24.,0,0,0,0,             
24.,0,0,1,2,
24.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  25
basis_sets 0000000112555555555555555555555555555555
25.,0,0,0,0,               
25.,0,0,1,2,
25.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  26
basis_sets 0000000112555555555555555555555555555555
26.,0,0,0,0,               
26.,0,0,1,2,
26.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  27
basis_sets 0000000112555555555555555555555555555555
27.,0,0,0,0,               
27.,0,0,1,2,
27.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  28
basis_sets 0000000112555555555555555555555555555555
28.,0,0,0,0,               
28.,0,0,1,2,
28.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  29
basis_sets 0000000112555555555555555555555555555555
29.,0,0,0,0,               
29.,0,0,1,2,
29.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  30
basis_sets 0000000112555555555555555555555555555555
30.,0,0,0,0,               
30.,0,0,1,2,
30.,3,0,1,-1,
3,2,-1.,0.,
4,0,-1.,0,
4,1,0.,0.,
element  31
basis_sets 0000000011125555555555555555555555555555
31.,0,0,0,0,               
31.,0,0,1,2,
31.,3,0,1,-1,
3,2,-1.,0.,
4,1,-1.,0.,
4,2,0.,0.,
element  32
basis_sets 0000000011125555555555555555555555555555
32.,0,0,0,0,              	
32,0,0,1,2,
32.,3,0,1,-1,
3,2,-1.,0.,
4,1,-1.,0.,
4,2,0.,0.,
element  33
basis_sets 0000000011125555555555555555555555555555
33.,0,0,0,0,               
33.,0,0,1,2,
33.,3,0,1,-1,
3,2,-1.,0.,
4,1,-1.,0.,
4,2,0.,0.,
element  34
basis_sets 0000000011125555555555555555555555555555
34.,0,0,0,0,               
34.,0,0,1,2,
34.,3,0,1,-1,
3,2,-1.,0.,
4,1,-1.,0.,
4,2,0.,0.,
element  35
basis_sets 0000000011125555555555555555555555555555
35.,0,0,0,0,               
35.,0,0,1,2,
35.,3,0,1,-1,
3,2,-1.,0.,
4,1,-1.,0.,
4,2,0.,0.,
element  36
basis_sets 0000000011125555555555555555555555555555
36.,0,0,0,0,               
36.,0,0,1,2,
36.,3,0,1,-1,
3,2,-1.,0.,
4,1,-1.,0.,
4,2,0.,0.,
element  37
basis_sets 0000000001125555555555555555555555555555
37.,0,0,0,0,          	    
37.,0,0,1,2,
37.,4,0,1,-1,
4,1,-1.,0.,
5,0,-1.,0.,
4,2,0.,0.,
5,1,0.,0.,
element  38
basis_sets 0000000001125555555555555555555555555555
38.,0,0,0,0,               
38.,0,0,1,2,
38.,3,0,1,-1,
5,0,-1.,-1.,
4,2,0.,0.,
5,1,0.,0.,
element  39
basis_sets 0000000000112555555555555555555555555555
39.,0,0,0,0,              
39.,0,0,1,2,
39.,2,0,1,-1,
5,0,-1.,-1.,
5,1,0.,0.,
element  40
basis_sets 0000000000112555555555555555555555555555
40.,0,0,0,0,               
40.,0,0,1,2,
40.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  41
basis_sets 0000000000112555555555555555555555555555
41.,0,0,0,0,               
41.,0,0,1,2,
41.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  42
basis_sets 0000000000112555555555555555555555555555
42.,0,0,0,0,               
42.,0,0,1,2,
42.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  43
basis_sets 0000000000112555555555555555555555555555
43.,0,0,0,0,               
43.,0,0,1,2,
43.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  44
basis_sets 0000000000112555555555555555555555555555
44.,0,0,0,0,               
44.,0,0,1,2,
44.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  45
basis_sets 0000000000112555555555555555555555555555
45.,0,0,0,0,               
45.,0,0,1,2,
45.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  46
basis_sets 0000000000112555555555555555555555555555
46.,1,0,0,0,               
5,0,0.,0.,
46.,0,0,1,2,
46.,3,0,1,-1,
4,2,-1.,-1.,
5,0,0.,0.,
5,1,0.,0.,
element  47
basis_sets 0000000000112555555555555555555555555555
47.,0,0,0,0,               
47.,0,0,1,2,
47.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  48
basis_sets 0000000000112555555555555555555555555555
48.,0,0,0,0,               
48.,0,0,1,2,
48.,3,0,1,-1,
4,2,-1.,0.,
5,0,-1.,0.,
5,1,0.,0.,
element  49
basis_sets 0000000000011255555555555555555555555555
49.,0,0,0,0,               
49.,0,0,1,2,
49.,3,0,1,-1,
4,2,-1.,0.,
5,1,-1.,0.,
5,2,0.,0.,
element  50
basis_sets 0000000000011255555555555555555555555555
50.,0,0,0,0,               
50.,0,0,1,2,
50.,3,0,1,-1,
4,2,-1.,0.,
5,1,-1.,0.,
5,2,0.,0.,
element  51
basis_sets 0000000000011255555555555555555555555555
51.,0,0,0,0,               
51.,0,0,1,2,
51.,3,0,1,-1,
4,2,-1.,0.,
5,1,-1.,0.,
5,2,0.,0.,
element  52
basis_sets 0000000000011255555555555555555555555555
52.,0,0,0,0,               
52.,0,0,1,2,
52.,3,0,1,-1,
4,2,-1.,0.,
5,1,-1.,0.,
5,2,0.,0.,
element  53
basis_sets 0000000000011255555555555555555555555555
53.,0,0,0,0,              
53.,0,0,1,2,
53.,3,0,1,-1,
4,2,-1.,0.,
5,1,-1.,0.,
5,2,0.,0.,
element  54
basis_sets 0000000000011255555555555555555555555555
54.,0,0,0,0,               
54.,0,0,1,2,
54.,3,0,1,-1,
4,2,-1.,0.,
5,1,-1.,0.,
5,2,0.,0.,
element  55
basis_sets 0000000000001125555555555555555555555555
55.,0,0,0,0,              
55.,0,0,1,2,
55.,4,0,1,-1,
5,1,-1.,0.,
6,0,-1.,0.,
5,2,0.,0.,
6,1,0.,0.,
element  56
basis_sets 0000000000001125555555555555555555555555
56.,0,0,0,0,              
56.,0,0,1,2,
56.,3,0,1,-1,
6,0,-1.,-1.,
5,2,0.,0.,
6,1,0.,0.,
element  57
basis_sets 0000000000000112555555555555555555555555
57.,0,0,0,0,      
57.,0,0,1,2,
57.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
4,3,0.,0.,
element  58
basis_sets 0000000000000112555555555555555555555555
58.,1,0,0,0,      
5,2,0.,0.,
58.,0,0,1,2,
58.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  59
basis_sets 0000000000000112555555555555555555555555
59.,1,0,0,0,      
5,2,0.,0.,
59.,0,0,1,2,
59.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  60
basis_sets 0000000000000112555555555555555555555555
60.,1,0,0,0,      
5,2,0.,0.,
60.,0,0,1,2,
60.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  61
basis_sets 0000000000000112555555555555555555555555
61.,1,0,0,0,      
5,2,0.,0.,
61.,0,0,1,2,
61.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  62
basis_sets 0000000000000112555555555555555555555555
62.,1,0,0,0,      
5,2,0.,0.,
62.,0,0,1,2,
62.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  63
basis_sets 0000000000000112555555555555555555555555
63.,1,0,0,0,      
5,2,0.,0.,
63.,0,0,1,2,
63.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  64
basis_sets 0000000000000112555555555555555555555555
64.,1,0,0,0,      
5,2,0.,0.,
64.,0,0,1,2,
64.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  65
basis_sets 0000000000000112555555555555555555555555
65.,1,0,0,0,       
5,2,0.,0.,
65.,0,0,1,2,
65.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  66
basis_sets 0000000000000112555555555555555555555555
66.,1,0,0,0,      
5,2,0.,0.,
66.,0,0,1,2,
66.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  67
basis_sets 0000000000000112555555555555555555555555
67.,1,0,0,0,      
5,2,0.,0.,
67.,0,0,1,2,
67.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  68
basis_sets 0000000000000112555555555555555555555555
68.,1,0,0,0,       
5,2,0.,0.,
68.,0,0,1,2,
68.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  69
basis_sets 0000000000000112555555555555555555555555
69.,1,0,0,0,      
5,2,0.,0.,
69.,0,0,1,2,
69.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  70
basis_sets 0000000000000112555555555555555555555555
70.,1,0,0,0,      
5,2,0.,0.,
70.,0,0,1,2,
70.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  71
basis_sets 0000000000000112555555555555555555555555
71.,1,0,0,0,      
5,2,0.,0.,
71.,0,0,1,2,
71.,3,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
5,2,0.,0.,
element  72
basis_sets 0000000000000011255555555555555555555555
72.,0,0,0,0,      
72.,0,0,1,2,
72,2,0,1,-1,
6,0,-2.,0.,
6,1,0.,0.,
element  73
basis_sets 0000000000000011255555555555555555555555
73.,0,0,0,0,      
73.,0,0,1,2,
73,2,0,1,-1,
6,0,-2.,0.,
6,1,0.,0.,
element  74
basis_sets 0000000000000011255555555555555555555555
74.,0,0,0,0,      
74.,0,0,1,2,
74,2,0,1,-1,
6,0,-2.,0.,
6,1,0.,0.,
element  75
basis_sets 0000000000000011255555555555555555555555
75.,0,0,0,0,      
75.,0,0,1,2,
75,2,0,1,-1,
6,0,-2.,0.,
6,1,0.,0.,
element  76
basis_sets 0000000000000011255555555555555555555555
76.,0,0,0,0,      
76.,0,0,1,2,
76,2,0,1,-1,
6,0,-2.,0.,
6,1,0.,0.,
element  77
basis_sets 0000000000000011255555555555555555555555
77.,0,0,0,0,      
77.,0,0,1,2,
77,2,0,1,-1,
6,0,-2.,0.,
6,1,0.,0.,
element  78
basis_sets 0000000000000011255555555555555555555555
78.,0,0,0,0,      
78.,0,0,1,2,
78.,3,0,1,-1,
5,2,-1.,-0.,
6,0,-1.,0.,
6,1,0.,0.,
element  79
basis_sets 0000000000000011255555555555555555555555
79.,0,0,0,0,      
79.,0,0,1,2,
79.,3,0,1,-1,
5,2,-1.,-0.,
6,0,-1.,0.,
6,1,0.,0.,
element  80
basis_sets 0000000000000011255555555555555555555555
80.,0,0,0,0,      
80.,0,0,1,2,
80.,2,0,0,-1,
6,0,-2.,-0.,
6,1,0.,0.,
element  81
basis_sets 0000000000000001125555555555555555555555
81.,0,0,0,0,      
81.,0,0,1,2,
81.,3,0,1,-1,
6,0,-1.,0.,
6,1,-1.,0.,
6,2,0.,0.,
element  82
basis_sets 0000000000000001125555555555555555555555
82.,0,0,0,0,      
82.,0,0,1,2,
82.,2,0,1,-1,
6,1,-2.,0.,
6,2,0.,0.,
element  83
basis_sets 0000000000000001125555555555555555555555
83.,0,0,0,0,      
83.,0,0,1,2,
83.,2,0,1,-1,
6,1,-2.,0.,
6,2,0.,0.,
element  84
basis_sets 0000000000000001125555555555555555555555
84.,0,0,0,0,      
84.,0,0,1,2,
84.,2,0,1,-1,
6,1,-2.,0.,
6,2,0.,0.,
element  85
basis_sets 0000000000000001125555555555555555555555
85.,0,0,0,0,      
85.,0,0,1,2,
85.,2,0,1,-1,
6,1,-2.,0.,
6,2,0.,0.,
element  86
basis_sets 0000000000000001125555555555555555555555
86.,0,0,0,0,      
86.,0,0,1,2,
86.,2,0,1,-1,
6,1,-2.,0.,
6,2,0.,0.,
element  87
basis_sets 0000000000000000112555555555555555555555
87.,0,0,0,0,      
87.,0,0,1,2,
87.,3,0,0,-1,
7,0,-1.,0.
7,1, 0., 0.
6,2, 0., 0.
element  88
basis_sets 0000000000000000112555555555555555555555
88.,0,0,0,0,      
88.,0,0,1,2,
88.,3,0,0,-1,
7,0,-1.,0.
7,1, 0., 0.
6,2, 0., 0.
element  89
basis_sets 0000000000000000011255555555555555555555
89.,0,0,0,0,      
89.,0,0,1,2,
89.,2,0,0,-1,
7,0,-2.,-0.,
7,1,0.,0.,
element  90
basis_sets 0000000000000000011255555555555555555555
90.,0,0,0,0,      
90.,0,0,1,2,
90.,3,0,0,-1,
7,0,-2.,-0.,
7,1,0.,0.,
5,3,0.,0.,
element  91
basis_sets 0000000000000000011255555555555555555555
91.,0,0,0,0,      
91.,0,0,1,2,
91.,2,0,0,-1,
7,0,-2.,-0.,
7,1,0.,0.,
element  92
basis_sets 0000000000000000011255555555555555555555
92.,0,0,0,0,      
92.,0,0,1,2,
92.,2,0,0,-1,
7,0,-2.,-0.,
7,1,0.,0.,
end
