#! /bin/sh $ADFBIN/adf << eor xc model saop end Define RCH = 1.085 XCH = sqrt(3)*(RCH/3) End Atoms C 0 0 0 H XCH XCH XCH H XCH -XCH -XCH H -XCH XCH -XCH H -XCH -XCH XCH End Basis Type TZ2P Core None End save TAPE10 End Input eor $ADFBIN/nmr << eor NMR Out TENS Nuc 1 2 End eor mv TAPE21 CH4.t21 rm TAPE10 logfile