2
C$Id: blkdat15.f,v 1.2 1995-02-02 23:23:47 d3g681 Exp $
3
implicit double precision (a-h, o-z)
6
c initalize data in common ... clumsy but avoids code to read in data
8
c one be atom with 15 orbitals
10
c have 9s functions on each center and simulate p's by having
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c s function at +- 1 in each of x, y, z
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data ax /0.0d0/, ay /0.0d0/, az /0.0d0/, q /4.0d0/, enrep/0.0d0/
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data x /9*0.0d0, 1.6d0, -1.6d0, 0.0d0, 0.0d0, 0.0d0, 0.0d0/
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data y /9*0.0d0, 0.0d0, 0.0d0, 1.6d0, -1.6d0, 0.0d0, 0.0d0/
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data z /9*0.0d0, 0.0d0, 0.0d0, 0.0d0, 0.0d0, 1.6d0, -1.6d0/
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data expnt /1741.0d0, 262.1d0, 60.33d0, 17.62d0, 5.933d0, 2.185d0,
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$ 0.859, 0.1806d0, 0.05835d0, 6*0.3d0/