GU: done

[ERIC SPAULDING <ESPAULDING@CENTER.COLGATE.EDU>]

From:	CENTER::NPETRACO     17-JUL-1996 15:38:48.18
To:	ESPAULDING
CC:	
Subj:	this is the correct input deck C8H7PLIN_F05$N321G.DAT;1

 $CONTRL  RUNTYP=OPTIMIZE        MULT=2 SCFTYP=ROHF    $END
 $CONTRL EXETYP=RUN  MAXIT=50   COORD=UNIQUE UNITS=ANGS   $END
 $SYSTEM TIMLIM=10000.  MEMORY=2200000   $END
 $BASIS  GBASIS=N21  NDFUNC=1 NGAUSS=3   $END
-$SCF NCO=17 NSETO=1 NO(1)=2           DIRSCF=.T.     $END
-$SCF CICOEF( 1)= 0.987,-0.159                         $END	
-$SCF NCO=17 NSETO=0 NO(1)=2 NPAIR=1   DIRSCF=.T.    $END
-$MP2 NCORE=5                      $END
-$FORCE  METHOD=ANALYTIC   $END 
 $INTGRL NDAR=20000 $END
-$STATPT  $END 
-$GUESS GUESS=MOREAD NORB=87 NORDER=0   $END
 $GUESS GUESS=HUCKEL   $END
-$TRNSFM MCTRAN=1 NOMEM=1 $END
-$MCSCF  MAXIT=50 $END
-$DRT  GROUP=CNV 2 FORS=.TRUE. NMCC=15 NDOC=3 NVAL=3 NFZF=66    $END
 $DATA
C8H7 (C6H4) Planar Phenyl Linear Doublet ROHF CNV 2 geom.
CNV 2 
                    
 C           6.0   0.0000  0.0000  0.0000   
 C           6.0  -0.7145  1.2079  0.0000  
 C           6.0  -2.1074  1.2060  0.0000
 C           6.0  -2.8085  0.0000  0.0000   
 C           6.0   1.4000  0.0000  0.0000
 C           6.0   2.7100  0.0000  0.0000
 H           1.0  -0.1739  2.1660  0.0000
 H           1.0  -2.6533  2.1610  0.0000
 H           1.0  -3.9079  0.0000  0.0000
 H           1.0   3.3016  0.9239  0.0000
 $END