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diphosphane/initqp_input Secret

Created July 17, 2020 09:39
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initqp_input
&dat
nact = 2
numat = 12
npoints = 50000
file_geom = geom
iprog = 4
file_nmodes = freq.out
anh_f = 1
temp = 0.0
ics_flg = n
chk_e = 0
nis = 1
nfs = 2
kvert = 1
de = 100
prog = 6.5
iseed = 0
lvprt = 1
/
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