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Visvaldas Kairys
coyote_v2002@yahoo.com

The error  message is:
READING $EFRAG GROUP
COORD=CART      POSITION=OPTIMIZE  POLMETHD=FRGSCF
READING COORDINATES OF FRAGMENT   1 NAMED   H2OEF2
  1 FRAGMENTS ARE USED IN THIS CALCULATION

ERROR! EFFECTIVE FRAGMENT  $H2OEF2 NUMBER 1 DOES NOT MATCH STANDARD ONE.

CPU        TIME:   STEP =      0.03 ,  TOTAL =        0.1 SECONDS (    0.0 MIN)
WALL CLOCK TIME:   STEP =      0.03 ,  TOTAL =        0.0 SECONDS (    0.0 MIN)
CPU UTILIZATION:   STEP =    100.00%,  TOTAL =     100.00%

     197322 WORDS OF    DYNAMIC MEMORY USED
EXECUTION OF FIREFLY TERMINATED ABNORMALLY AT 11:16:19 LT  22-DEC-2009


I will paste the input file, it's short.
===== exam30_test.inp==begin==
$contrl scftyp=rhf runtyp=gradient coord=zmt $end
$system memory=500000 $end
$basis  gbasis=dh npfunc=1 ndfunc=1 $end
$data
formamide with three effective fragment waters
C1
C
O 1 rCO
N 1 rCN  2 aNCO
H 3 rNHa 1 aCNHa 2 0.0
H 3 rNHb 1 aCNHb 2 180.0
H 1 rCH  2 aHCO  4 180.0

rCO=1.1962565
rCN=1.3534065
rNHa=0.9948420
rNHb=0.9921367
rCH=1.0918368
aNCO=124.93384
aCNHa=119.16000
aCNHb=121.22477
aHCO=122.30822
$end
$efrag
coord=cart
fragname=H2OEF2
O1      -4.969   1.738 -11.951
H2      -4.203   2.051 -12.433
H3      -5.734   1.749 -12.526
$end
===== exam30_test.inp==end==

Interestingly, coord=int (e.g. exam30.inp) works fine!

Same error happens if I create a custom EFP, say H2OMY
and include $H2OMY card. In the coordinates are cartesian in
$EFRAG, it compains that "H2OMY does not match a standard fragment".
So, must all coordinates be ZMAT? For my purposes, cartesians are much
more convenient.
Vis