!   EXAM30.
!   Test of water EFP ... formamide/three water complex
!
!   FINAL E= -169.0085355753 after 12 iterations
!   RMS gradient=0.008157643
!
!   The geometry below combines a computed gas phase
!   structure for formamide, with three waters located
!   in a cylic fashion whose positions approximate the
!   minimum structure of W.Chen and M.S.Gordon.  This
!   approximate structure lies about 11 mHartree above 
!   the actual minimum.
!
 $contrl scftyp=rhf runtyp=gradient coord=zmt $end
 $system timlim=2 $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=int
fragname=H2ORHF
O1  4 1.926      3 175.0     1 180.0
H2  7 0.9438636  4 117.4     3 -175.0
H3  7 0.9438636  8 106.70327 4 95.0
fragname=H2ORHF
O1  8 1.901      7 175.0     4 0.0
H2 10 0.9438636  8 110.0     4 -5.0
H3 10 0.9438636 11 106.70327 8 -95.0
fragname=H2ORHF
H2  2 1.951      1 150.0     3 0.0
O1 13 0.9438636  2 177.0     3 0.0
H3 14 0.9438636 13 106.70327 3 140.0
 $end