QuAcK/input/weight

mirror of https://github.com/pfloos/quack synced 2024-07-04 10:26:03 +02:00
1     2
S   3   1.00
     38.4216340              0.0237660        
      5.7780300              0.1546790        
      1.2417740              0.4696300        
S   1   1.00
      0.2979640              1.0000000
CCSD under progress 2019-03-15 21:47:34 +01:00			`1 2`
MCQC under serious work 2019-03-13 16:15:53 +01:00			`S 3 1.00`
CCSD under progress 2019-03-15 21:47:34 +01:00			`38.4216340 0.0237660`
			`5.7780300 0.1546790`
			`1.2417740 0.4696300`
MCQC under serious work 2019-03-13 16:15:53 +01:00			`S 1 1.00`
CCSD under progress 2019-03-15 21:47:34 +01:00			`0.2979640 1.0000000`