electron density

From: Vlad Cojocaru <Vlad.Cojocaru |-at-| mpi-bpc.mpg.de>
Subject: electron density
Date: Tue, 11 Jun 2002 16:32:40 +0200

 I have the following input for calculating an electron density:
 %chk=tap_hf_opt.chk

#P RB3LYP 6-31+G(d) Geom=Checkpoint Cube(40,Density) Guess=ReadDensity=Current

 methyl-TAP el.density calculation using optimized (hf 6-31g*) structure
 0 1
 tap_dens.dat
 In the output the last lines are the following:
 Writing cube to file tap_dens.dat.
 IGUnit=  -31 Origin=   -5.883096   -5.330546   -3.455221
     N1=   49 XYZInc=     .242543     .000000     .000000
     N2=   44 XYZInc=     .000000     .242543     .000000
     N3=   29 XYZInc=     .000000     .000000     .242543
 fmt: end of file

apparent state: unit 5 named/home/vcojoca/base_an/dens_ep/2AP/el_density/g94-11222.inp

 last format: (A1)
 lately reading sequential formatted external IO
 It does not write the cube file.

Has anyone experienced this...could anyone suggest what might be wrong?I am using a preiviously optimized structure at HF/6-31G* theory level.

 Thanks a lot in advace.

Thganks a lot also for the people who helped me with other problems thatI have experienced trying to get a glimp of Gaussian.

 vlad
 --

Vlad CojocaruMax Planck Institut for Biophysical ChemistryDeparment: 060Am Fassberg 11, 37077 Goettingen, Germanytel: ++49-551-201.1389e-mail: Vlad.Cojocaru |-at-| mpi-bpc.mpg.de