MOPAC 6.00: Table of Contents Item Description Name of File(s) 1 Table of Contents AAAINVOICE.TXT 2 Complete FORTRAN Source code .FOR 3 SIZES file to dimension MOPAC DIMSIZES.DAT 4 MOPAC Manual MOPAC.MAN 5 UPDATE Manual (Version 5 -> 6) UPDATE.MAN 6 MOPAC on-line help MOPAC.HLP 7 Commands to assemble MOPAC COMPILE.COM 8 List of files to be LINKed MOPAC.OPT 9 Environmental commands MOPACCOM.COM 10 Command to submit MOPAC job MOPAC.COM 11 Command to run MOPAC RMOPAC.COM 12 Command to shut down MOPAC job SHUT.COM 13 Electrostatic Potential ESP.ROF 14 On-line HELP program HELP.F 15 Basis test-data file MNRSD1.DAT 16 Extended test-data file TESTDATA.DAT 17 Extended test-data output TESTDATA.OUT All the above files are contained in QCPE 455 (MOPAC) In addition to the above files, a set of test-data is available for use in testing MOPAC ported to other machines. This test-data consists of 1 Test-data sets .dat 2 Test-data COMMAND file TESTMOPAC.COM 3 Test of simple functions 1SCF.COM 4 Test of geometric functions GEOMETRY.COM 5 Test of IRC and DRC IRCDRC.COM 6 Test of keywords KEYS.COM 7 Test of C.I. MECI.COM 8 Test of new keywords MOPAC6.COM 9 Generic test command TEST.COM 10 Test of parameters TESTELEMENTS1.COM 11 Test of parameters TESTELEMENTS2.COM