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#ifndef _MOLSTRCT_COM_
#define _MOLSTRCT_COM_
c molstrct.com : begin
INTEGER NTOTPRIM,NTOTSHEL,IOFFPRIM,IOFFSHEL,IIATOM,
& SHELLANG,SHELLLOC,SHELLSIZ,SHELLPRM,
& SHELLORB,SHOFFSET,PRIMORBT,PROFFSET
DOUBLE PRECISION BASISEXP,BASISCNT
COMMON /MOLSTR1/ SHELLANG(MXTNSH),SHELLLOC(MXTNSH),
& SHELLSIZ(MXTNSH),SHELLPRM(MXTNSH),
& BASISEXP(10000),BASISCNT(10000)
COMMON /MOLSTR2/ NTOTPRIM,NTOTSHEL,IOFFPRIM,IOFFSHEL,IIATOM
COMMON /MOLSTR3/ SHELLORB(MXTNSH),SHOFFSET(MXTNSH),
& PRIMORBT(MXTNSH),PROFFSET(MXTNSH)
c molstrct.com : end
#endif /* _MOLSTRCT_COM_ */
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