Problems with nbo
Dear All,
After a lot of effort we compiled NBO with the latest GAMESS version.
After running a sample file, we are getting an error:
STOP Unknown WFNTYP statement executed
*******************************************************************************
N A T U R A L A T O M I C O R B I T A L A N D
N A T U R A L B O N D O R B I T A L A N A L Y S I S
*******************************************************************************
Filename: Changed to FILE1
Broken pipe
unknown WAVEFNTYP used
The INPUT file was the following:
$CONTRL SCFTYP=RHF RUNTYP=ENERGY COORD=ZMT $END
$SYSTEM TIMLIM=2 MEMORY=100000 $END
$BASIS GBASIS=n21 NGAUSS=3 $END
$GUESS GUESS=HUCKEL $END
$NBO $END
$DATA
Methylamine
Cs
C
N 1 1.47
H 1 1.09 2 109.4712
H 1 1.09 2 109.4712 3 120.0
H 1 1.09 2 109.4712 3 240.0
H 2 1.01 1 109.4712 3 60.0
H 2 1.01 1 109.4712 3 300.0
$END
Any clues?
Thanks..............
Parveen