QuAcK/input/weight

1      6 
S   8   1.00
   1469.0000000              0.0007660        
    220.5000000              0.0058920        
     50.2600000              0.0296710        
     14.2400000              0.1091800        
      4.5810000              0.2827890        
      1.5800000              0.4531230        
      0.5640000              0.2747740        
      0.0734500              0.0097510        
S   8   1.00
   1469.0000000             -0.0001200        
    220.5000000             -0.0009230        
     50.2600000             -0.0046890        
     14.2400000             -0.0176820        
      4.5810000             -0.0489020        
      1.5800000             -0.0960090        
      0.5640000             -0.1363800        
      0.0734500              0.5751020        
S   1   1.00
      0.0280500              1.0000000        
P   3   1.00
      1.5340000              0.0227840        
      0.2749000              0.1391070        
      0.0736200              0.5003750        
P   1   1.00
      0.0240300              1.0000000        
D   1   1.00
      0.1239000              1.0000000   
2     3 
S   3   1.00
     13.0100000              0.0196850        
      1.9620000              0.1379770        
      0.4446000              0.4781480        
S   1   1.00
      0.1220000              1.0000000        
P   1   1.00
      0.7270000              1.0000000
qsGW fix bug 2019-09-21 08:53:29 +02:00			`1 6`
			`S 8 1.00`
			`1469.0000000 0.0007660`
			`220.5000000 0.0058920`
			`50.2600000 0.0296710`
			`14.2400000 0.1091800`
			`4.5810000 0.2827890`
			`1.5800000 0.4531230`
			`0.5640000 0.2747740`
			`0.0734500 0.0097510`
			`S 8 1.00`
			`1469.0000000 -0.0001200`
			`220.5000000 -0.0009230`
			`50.2600000 -0.0046890`
			`14.2400000 -0.0176820`
			`4.5810000 -0.0489020`
			`1.5800000 -0.0960090`
			`0.5640000 -0.1363800`
			`0.0734500 0.5751020`
			`S 1 1.00`
			`0.0280500 1.0000000`
			`P 3 1.00`
			`1.5340000 0.0227840`
			`0.2749000 0.1391070`
			`0.0736200 0.5003750`
			`P 1 1.00`
			`0.0240300 1.0000000`
			`D 1 1.00`
			`0.1239000 1.0000000`
			`2 3`
huckel guess 2019-09-20 22:28:01 +02:00			`S 3 1.00`
qsGW fix bug 2019-09-21 08:53:29 +02:00			`13.0100000 0.0196850`
			`1.9620000 0.1379770`
			`0.4446000 0.4781480`
			`S 1 1.00`
			`0.1220000 1.0000000`
			`P 1 1.00`
			`0.7270000 1.0000000`