Error reading Normal Modes from GAMESS hesian calculation

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Avijit Duley

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May 1, 2026, 12:25:58 AM (13 days ago) May 1
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Dear Newton-X users,

I have been trying to compute Wigner distributions of Butanal. Somehow, Newton-X throws an error while reading the normal modes calculated using GAMESS. Could anyone please help me with this error?

runx error:
At line 273 of file weight.f90 (unit = 11, file = 'butanal_gauche_ccpVDZ_nmodes.out')
Fortran runtime error: Bad value during floating point read

initiqp_input:

&dat
 nact = 2
 numat = 13
 npoints = 20000
 file_geom = "geom"
 iprog = 1
 file_nmodes = "butanal_gauche_ccpVDZ_nmodes.out"
 anh_f = 1
 temp = 300.0
 ics_flg = "y"
 chk_e = 0
 prog = 10.1
 iseed = -1
 nis_mol = 1
 nfs_cat = 1
 ip_type = 2
 do_type = 1
 eq_geom = "y"
 lvprt = 1
/


Best,
Avijit
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