block data implicit double precision (a-h, o-z) include 'cscf.h' c c initalize data in common ... clumsy but avoids code to read in data c c two be atoms 4.0 a.u. apart with 30 orbitals c c have 9s functions on each center and simulate p's by having c s function at +- 1 in each of x, y, z c data ax /0.0d0, 0.0d0/, ay /0.0d0, 0.0d0/, az /0.0d0, 4.0d0/, $ q /4.0d0, 4.0d0/, enrep/4.0d0/ c nbfn=30 two atoms data x /9*0.0d0, 1.0d0, -1.0d0, 0.0d0, 0.0d0, 0.0d0, 0.0d0, $ 9*0.0d0, 1.0d0, -1.0d0, 0.0d0, 0.0d0, 0.0d0, 0.0d0/ data y /9*0.0d0, 0.0d0, 0.0d0, 1.0d0, -1.0d0, 0.0d0, 0.0d0, $ 9*0.0d0, 0.0d0, 0.0d0, 1.0d0, -1.0d0, 0.0d0, 0.0d0/ data z /9*0.0d0, 0.0d0, 0.0d0, 0.0d0, 0.0d0, 1.0d0, -1.0d0, $ 9*4.0d0, 4.0d0, 4.0d0, 4.0d0, 4.0d0, 5.0d0, 3.0d0/ data expnt /1741.0d0, 262.1d0, 60.33d0, 17.62d0, 5.933d0, 2.185d0, $ 0.859, 0.1806d0, 0.05835d0, 6*0.3d0, $ 1741.0d0, 262.1d0, 60.33d0, 17.62d0, 5.933d0, 2.185d0, $ 0.859, 0.1806d0, 0.05835d0, 6*0.3d0/ end