$closed shells a 1-3 ( 2 ) t1 1-2 ( 2 ) $open shells type=1 a 4 ( 1 ) h 1 ( 9/5 ) $roothaan 1 $rohf 4a-4a a = 0 b = 0 1h-1h a = 80/81 b = 80/81 4a-1h a =1 b = 10/9
(see basis set catalogue, basis SV.3D
requires this input and
gives the energy you must get)