Hi,

whenever I try to run an energy decomposition analysis for some molecules with the most recent version of QChem, I get the following error:

 7122   -1247.8722385433      9.26E-06 Convergence criterion met
---------------------------------------
SCF time: CPU 14196.38 s wall 3555.13 s

-----------------------------------------------------------------
RS CP correction for fragment 1 out of 5
/opt/q-chem_5.0/bin/xr.csh /mnt/scratch/q-chem/local/qchem10721/Frg1.input /dev/null Frg1ARSBSSE
/opt/q-chem_5.0/bin/xr.csh /mnt/scratch/q-chem/local/qchem10721/Frg1.input /dev/null Frg1ARSBSSE
/opt/q-chem_5.0/exe/qcprog.exe_s /mnt/scratch/q-chem/local/qchem10721/Frg1.input /mnt/scratch/q-chem/local/qchem10721//Frg1ARSBSSE/ frag.log

Q-Chem fatal error occurred in module /scratch/svnadmin/18824_zgan/qchem/libmdc/newfileman.C, line 293:

Error reading in TMP file 659/0 (80)


My input in this case is:

$AFq\&N2Oc?comment0
Test for TiF_4 in square planar
$AFq\&N2Oc?end

$AFq\&N2Oc?molecule
0 1
--
4 1
Ti 0.00001670043743 -0.00142420901719 0.00101399756382
--
-1 1
F -0.12812126783852 -3.28803324352930 0.04548994029042
--
-1 1
F -0.52205468697669 1.15810884278634 3.03433751725461
--
-1 1
F 2.96024899847042 0.97241813422314 -1.04930747571097
--
-1 1
F -2.31008974409263 1.15893047553701 -2.03153397939789
$AFq\&N2Oc?end

$AFq\&N2Oc?rem
JOBTYPE EDA
METHOD PBE0
BASIS def2-TZVPP
SCF_GUESS FRAGMO
FRGM_METHOD STOLL
FRGM_LPCORR RS_EXACT_SCF
EDA_BSSE TRUE
DIIS_SEPARATE_ERRVEC 1
MAX_SCF_CYCLES 10000
SCF_ALGORITHM GDM
MAX_DIIS_CYCLES 75
$AFq\&N2Oc?end




I understand this error is similar to the one posted here in the following link; however, I don't know how to adapt the answer for my case in 2017:
http://iopenshell.usc.edu/forum/topic.php?id=13093

I would really appreciate your help on this. Thanks in advance!!