# include <stdio.h>
# include <string.h>
# define LINLEN 180  /*incase of badly built input files*/
# define NATMS 7     /* total no of atoms including ghosts*/
# define ARCSIZE 2000  /* size of arc entry in chars */
# define TRUE 1
# define FALSE 0
/* crude hardwired teardown of gaussian 92 output files lokks
for key words Distance Z-Mat and GINC */

	 char CurentLine[LINLEN],*ptr;
	 char ArcEnt[ARCSIZE];
	 FILE *File1,*File2;
	 int i,j,k,AtsFnd,AType[NATMS];
	 float val1,val2,val3,val4,val5,ADst[NATMS][NATMS];
	 /* encapsulate all your variables and never drive over 60. right. */

int find_Dists(void)
 {
 for(;;)
	{
	int i,j;

	if(fgets(CurentLine,LINLEN,File1)==NULL)
	  return(1);
	ptr=strstr(CurentLine,"GINC");
	if ((ptr)!=NULL)
	 {
	 for(i=0;i<10;i++)
		 fprintf(File2,"  ,");
	 return(-1);
	 }
	if(AtsFnd>0)  /* we've got the distances and its time to go*/
	  return(0);
	ptr=strstr(CurentLine,"Distance");
	if ((ptr)!=NULL)
		{                    /* WEVE GOT THE DISTANCE MATRIX SECTION*/
	for(i=0;i<NATMS;i++)    /* initialize matrices*/
		{
		AType[i]=0;
		for(j=0;j<NATMS;j++)
			{
			ADst[i][j]=0.0;
			}
		}


		if(fgets(CurentLine,LINLEN,File1)==NULL)
			return(0);    /* lose first following line safely*/
		for(j=0;j<9;j++)
		  {
		  if(fgets(CurentLine,LINLEN,File1)==NULL)
			  return(0);
		 ptr=strstr(CurentLine,"GINC");
			 if ((ptr)!=NULL)
				 {
				 AtsFnd=j;j=9;break;
				 }


											  /* now we identfy row atom type*/
		  switch (i=(int) *(CurentLine+5))
			  {                /*6*/
			  case 'P':AType[j]=0; break;
			  case 'O':AType[j]=1; break;
			  case 'H':AType[j]=2; break;
			  case 'L':AType[j]=3; break;
			  case 'S':AType[j]=4; break;
			  case 'N':AType[j]=5; break;
			  case 'X':AType[j]=6; break;
			  case ' ':
			  default :
					 {         /* weve run out of atoms to record*/
					 AtsFnd=j;j=9;break;
					 }	    /* so scarper */
			  }               /*6*/
		  printf("D%s",CurentLine);
		  if(AtsFnd<0)         /* were still in the distance matrix*/
			  {              /*6a*/
			  switch (j)
				 {              /*7*/
				 case 0 :
					break;
				 case 1 :
					if (sscanf(CurentLine+10,"%f",&val1)==EOF)
						 {
						 AtsFnd=j;j=9;break;            /* so scarper */
						 }
					ADst[AType[1]][AType[0]]=val1;
					ADst[AType[0]][AType[1]]=val1;
					break;
				 case 2 :
					if(sscanf(CurentLine+10,"%f %f",&val1,&val2)==EOF)
						 {
						 AtsFnd=j;j=9;break;            /* so scarper */
						 }
					ADst[AType[2]][AType[0]]=val1;
					ADst[AType[0]][AType[2]]=val1;
					ADst[AType[2]][AType[1]]=val2;
					ADst[AType[1]][AType[2]]=val2;
					break;
				 case 3 :
					if(sscanf(CurentLine+10,"%f %f %f",&val1,&val2,&val3)==EOF)
						 {
						 AtsFnd=j;j=9;break;            /* so scarper */
						 }
					ADst[AType[3]][AType[0]]=val1;
					ADst[AType[0]][AType[3]]=val1;
					ADst[AType[3]][AType[1]]=val2;
					ADst[AType[1]][AType[3]]=val2;
					ADst[AType[3]][AType[2]]=val3;
					ADst[AType[2]][AType[3]]=val3;
					break;
				 case 4 :
					if(sscanf(CurentLine+10,"%f %f %f %f",&val1,&val2,&val3,&val4)==EOF)
						{
						AtsFnd=j;j=9;break;            /* so scarper */
						}
					ADst[AType[4]][AType[0]]=val1;
					ADst[AType[0]][AType[4]]=val1;
					ADst[AType[4]][AType[1]]=val2;
					ADst[AType[1]][AType[4]]=val2;
					ADst[AType[4]][AType[2]]=val3;
					ADst[AType[2]][AType[4]]=val3;
					ADst[AType[4]][AType[3]]=val4;
					ADst[AType[3]][AType[4]]=val4;
					break;
				 case 5 :
					if(sscanf(CurentLine+10,"%f %f %f %f %f",&val1,&val2,&val3,&val4,&val5)==EOF)
					  {
					  AtsFnd=j;j=9;break;            /* so scarper */
					  }
					ADst[AType[5]][AType[0]]=val1;
					ADst[AType[0]][AType[5]]=val1;
					ADst[AType[5]][AType[1]]=val2;
					ADst[AType[1]][AType[5]]=val2;
					ADst[AType[5]][AType[2]]=val3;
					ADst[AType[2]][AType[5]]=val3;
					ADst[AType[5]][AType[3]]=val4;
					ADst[AType[3]][AType[5]]=val4;
					ADst[AType[5]][AType[4]]=val5;
					ADst[AType[4]][AType[5]]=val5;
					AtsFnd=j;j=9;break;/* got the goods now scarper*/
				 }/* end case*/  /*7*/
			  }/* end if ats fnd<0*/
		  if(AtsFnd>0)  /* we are finnished lets seeit*/
			  {
			  for(i=0;i<5;i++)
				  {
				  for(k=0;k<i;k++)
					  fprintf(File2," %f,",ADst[i][k]);
				  printf("\n");
				  }
			  }
		  }

	ptr=strstr(CurentLine,"GINC");
	if ((ptr)!=NULL)
	 {
	 for(i=0;i<10;i++)
		 fprintf(File2,"*.0,");

	 return(-1);
	 }
  }
 }
 }

int find_and_SaveGINC(void)
  {
  int count1,ZptFOUND = FALSE,NoGinc= TRUE;
  *ArcEnt = NULL;

  for(count1=0;count1<ARCSIZE+1;count1++)
	  ArcEnt[count1]=0;
  for(;;)
	 {
	 if(strstr(CurentLine,"GINC")==NULL)    /* got ginc so dont get it! */
		if(fgets(CurentLine,LINLEN,File1)==NULL)
		  return(1);	 /*didnt  find GINC */
	 ptr = strstr(CurentLine,"ZERO-POINT");
	 if(ptr!=NULL)
		{
		if(fgets(CurentLine,LINLEN,File1)==NULL)
			return(1);
		if(fgets(CurentLine,LINLEN,File1)==NULL)
			return(1);
		for(count1=29;count1<(43);count1++)
			{
			if(*(CurentLine + count1)!=NULL)
				 fputc(*(CurentLine + count1),File2);
			}
		fputc(',',File2);
		ZptFOUND = TRUE;
		}

	ptr = strstr(CurentLine,"GINC");
			/* weve got the archive now read it in */
	if(ptr!=NULL)
	  {
	  if(ZptFOUND==FALSE)
		 {
		 fprintf(File2,"NoZeroPt,");
			/* no zero point enery found*/
		 }

	  do
		 {
		 strcat(ArcEnt,CurentLine);
		 if(strlen(ArcEnt) >1920) /* so we dont blow aray bnds next iteration*/
			 return(0);
		 ptr = strstr(CurentLine,"Job");
		 if(ptr!=NULL)   /* out of ginc */
			 return(0);
		 }
	  while(fgets(CurentLine,LINLEN,File1)!=NULL);

	  }

	ptr = strstr(CurentLine,"Job");
	if(ptr!=NULL)   /* no ging found ! */
		return(1);
	}
}


int Find_And_Print(Text,Ofst,Len)
  char *Text;
  int Ofst,Len;
  {
  int count;
  char *Got_It,*FndText = "                             ";
  if((Got_It = strstr(ArcEnt,Text))!=NULL)
	FndText=Got_It;
  for(count=Ofst;count<(Len+Ofst);count++)
	 if(*(FndText + count)!=NULL)
		{
		if(*(FndText + count)==',')
			fputc(' ',File2);
		else
			fputc(*(FndText + count),File2);

		}
  fputc(',',File2);
  return(0);
  }

int SplitGinc(Text)
  char *Text;
  {
  int count,Ofst = 0,Len = 60;

  char *Got_It,*FndText = "                             ";
  if((Got_It = strstr(ArcEnt,Text))!=NULL)
	FndText=Got_It;
  for(count=Ofst;count<(Len+Ofst);count++)
	 if(*(FndText + count)!=NULL)
		{

		if(*(FndText + count)==',')
			*(FndText + count)='^';

		if(*(FndText + count)==' ')
			fputc(',',File2);
		else
			fputc(*(FndText + count),File2);

		}
  fputc(',',File2);
  return(0);
  }

void Get_Results(void)
  {
  char *Got_It;
  int count,leftshift,startlen;

  count=strlen(ArcEnt);
  startlen=count;
  for(;count>0;count--)
	 if(ArcEnt[count] == '\n' )
		for(leftshift=count;leftshift<startlen;leftshift++)
		{
		ArcEnt[leftshift]=ArcEnt[leftshift+2];
		}
  count=strlen(ArcEnt);
  for(;count>0;count--)
	 if(ArcEnt[count] == '\\' )
		ArcEnt[count]= ' ';
Find_And_Print("GINC",1,55);
Find_And_Print("HF=-",3,12);
Find_And_Print("MP2=-",4,12);
Find_And_Print("MP2-0=",6,12);
Find_And_Print( "MP3=-",4,12);
Find_And_Print( "MP4D=-",5,12);
Find_And_Print( "MP4DQ=-",6,12);
Find_And_Print( "PUHF=-",5,12);
Find_And_Print( "PMP2-0=-",7,12);
Find_And_Print( "PMP3-0=-",7,12);
Find_And_Print( "MP4SDQ=-",7,10);
Find_And_Print( "QCISD=-",7,10);
Find_And_Print( "QCISD(T)=-",9,12);
Find_And_Print( "S2=",3,5);
Find_And_Print( "S2-1=",5,5);
Find_And_Print( "RMSD=",5,9);
Find_And_Print( "RMSF=",5,9);
Find_And_Print( "Dipole=",7,5);
Find_And_Print( "DipoleD",12,5);
Find_And_Print( "Polar",7,5);
Find_And_Print( "NIMAG",0,7);
Find_And_Print( "OPT=(",0,12);

SplitGinc("GINC");
Find_And_Print( "Frequencies",11,72);
fputc('\n',File2);

  }

int Fnd_Fle_Strt(void)
	 {
	 char *Page1 = "Page 1";
	 int count;
		for(;;)
		{
		if(fgets(CurentLine,LINLEN,File1)==NULL)
	 return(1);
		if(strstr(CurentLine,Page1)!=NULL)
			{
			for(count=0;count<11;count++)
				 fputc(*(CurentLine + count + 19),File2);
			fputc(',',File2);
			return(0);   /* found a new out file*/
			}
		}
	 }


int Print_Header(void)
  {
  fprintf(File2," ,P-O,P-H,O-H,P-Li,O-Li,H-Li,,,,,,GINC,HF=-,MP2=-,MP2-0=,MP3=-,MP4D=-,MP4DQ=-,PUHF=-,PMP2-0=-,PMP3-0=-,MP4SDQ=-,QCISD=-,QCISD(T)=-,S2=,S2-1=,RMSD=,RMSF=,Dipole=,DipoleD,Polar,NIMAG");
  fputc('\n',File2);
  return(0);
  }

int main(int argc,char **argv)
  { /*1*/
  int ret_code;
  if(argc<2)
	  return(1);
  if ((File1=fopen(argv[1],"rt"))==NULL)
	  return(1);
  if ((File2=fopen(argv[2],"wt"))==NULL)
	  return(1);
	 Print_Header();
  while((Fnd_Fle_Strt()) != 1)
	 {
	 AtsFnd=-1;
	 find_Dists();
	 ret_code = find_and_SaveGINC();
	 if(ret_code==0)
		Get_Results();
	}
fclose(File1);
fclose(File2);
return(0);
} /* end prog*/   /*1*/