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tests/public/inp/mol/geom/symmetry/D5d_C60.inp
tests/public/inp/mol/geom/symmetry/D5d_C60.ref
tests/public/inp/mol/geom/symmetry/D5d_FeC5H5_2.inp
tests/public/inp/mol/geom/symmetry/D5d_FeC5H5_2.ref
tests/public/inp/mol/geom/symmetry/D5h_C5.inp
tests/public/inp/mol/geom/symmetry/D5h_C5.ref
tests/public/inp/mol/geom/symmetry/D5h_C5H10.inp
tests/public/inp/mol/geom/symmetry/D5h_C5H10.ref
tests/public/inp/mol/geom/symmetry/D5_MnC10.inp
tests/public/inp/mol/geom/symmetry/D5_MnC10.ref
tests/public/inp/mol/geom/symmetry/D6d_C12I12Cr.inp
tests/public/inp/mol/geom/symmetry/D6d_C12I12Cr.ref
tests/public/inp/mol/geom/symmetry/D6h_C24.inp
tests/public/inp/mol/geom/symmetry/D6h_C24.ref
tests/public/inp/mol/geom/symmetry/D6h_C24H12.inp
tests/public/inp/mol/geom/symmetry/D6h_C24H12.ref
tests/public/inp/mol/geom/symmetry/D6h_C6H6.inp
tests/public/inp/mol/geom/symmetry/D6h_C6H6.ref
tests/public/inp/mol/geom/symmetry/D6_MnC12.inp
tests/public/inp/mol/geom/symmetry/D6_MnC12.ref
tests/public/inp/mol/geom/symmetry/D7h_C7H14.inp
tests/public/inp/mol/geom/symmetry/D7h_C7H14.ref
tests/public/inp/mol/geom/symmetry/D7h_C7H7.inp
tests/public/inp/mol/geom/symmetry/D7h_C7H7.ref
tests/public/inp/mol/geom/symmetry/D7_MnC14.inp
tests/public/inp/mol/geom/symmetry/D7_MnC14.ref
tests/public/inp/mol/geom/symmetry/D8h_C8.inp
tests/public/inp/mol/geom/symmetry/D8h_C8.ref
tests/public/inp/mol/geom/symmetry/D8h_C8H16.inp
tests/public/inp/mol/geom/symmetry/D8h_C8H16.ref
tests/public/inp/mol/geom/symmetry/Dinfh_HF2.inp
tests/public/inp/mol/geom/symmetry/Dinfh_HF2.ref
tests/public/inp/mol/geom/symmetry/Dinfh_I2.inp
tests/public/inp/mol/geom/symmetry/Dinfh_I2.ref
tests/public/inp/mol/geom/symmetry/Ih_C20H20.inp
tests/public/inp/mol/geom/symmetry/Ih_C20H20.ref
tests/public/inp/mol/geom/symmetry/Ih_C540.inp
tests/public/inp/mol/geom/symmetry/Ih_C60.inp
tests/public/inp/mol/geom/symmetry/Ih_C60.ref
tests/public/inp/mol/geom/symmetry/I_C60H60N20.inp
tests/public/inp/mol/geom/symmetry/I_C60H60N20.ref
tests/public/inp/mol/geom/symmetry/Kh_Mo.inp
tests/public/inp/mol/geom/symmetry/Kh_Mo.ref
tests/public/inp/mol/geom/symmetry/Oh_S8F48.inp
tests/public/inp/mol/geom/symmetry/Oh_S8F48.ref
tests/public/inp/mol/geom/symmetry/Oh_SF6.inp
tests/public/inp/mol/geom/symmetry/Oh_SF6.ref
tests/public/inp/mol/geom/symmetry/O_P24.inp
tests/public/inp/mol/geom/symmetry/O_P24.ref
tests/public/inp/mol/geom/symmetry/S10_SnDPS.inp
tests/public/inp/mol/geom/symmetry/S10_SnDPS.ref
tests/public/inp/mol/geom/symmetry/S4_SiOH4.inp
tests/public/inp/mol/geom/symmetry/S4_SiOH4.ref
tests/public/inp/mol/geom/symmetry/S6_Fe2OH6.inp
tests/public/inp/mol/geom/symmetry/S6_Fe2OH6.ref
tests/public/inp/mol/geom/symmetry/S8_Fe2OH8.inp
tests/public/inp/mol/geom/symmetry/S8_Fe2OH8.ref
tests/public/inp/mol/geom/symmetry/Td_B182.inp
tests/public/inp/mol/geom/symmetry/Td_B182.ref
tests/public/inp/mol/geom/symmetry/Td_C4.inp
tests/public/inp/mol/geom/symmetry/Td_C4.ref
tests/public/inp/mol/geom/symmetry/Td_CH4.inp
tests/public/inp/mol/geom/symmetry/Td_CH4.ref
tests/public/inp/mol/geom/symmetry/Th_C24.inp
tests/public/inp/mol/geom/symmetry/Th_C24.ref
tests/public/inp/mol/geom/symmetry/T_C5H12.inp
tests/public/inp/mol/geom/symmetry/T_C5H12.ref
tests/public/inp/mol/geom/Xe_1.inp
tests/public/inp/mol/geom/Xe_1.ref
tests/public/inp/mol/geom/xyzcalc/CHBrClF_1.inp
tests/public/inp/mol/geom/xyzcalc/CHCl3_1.inp
tests/public/inp/mol/geom/xyzcalc/HCl_1.inp
tests/public/inp/mol/geom/xyzcalc/HCl_1.ref
tests/public/inp/mol/geom/xyzorca.inp
tests/public/inp/mol/geom/zmat_3rd.inp
tests/public/inp/mol/geom/zmat_3rd.ref
tests/public/inp/mol/geom/zmat_big.inp
tests/public/inp/mol/geom/zmat_cart_only.inp
tests/public/inp/mol/geom/zmat_cart_only.ref
tests/public/inp/mol/geom/zmat_centroid1.inp
tests/public/inp/mol/geom/zmat_centroid1.ref
tests/public/inp/mol/geom/zmat_centroid2.inp
tests/public/inp/mol/geom/zmat_centroid2.ref
tests/public/inp/mol/geom/zmat_mass.inp
tests/public/inp/mol/geom/zmat_mass.ref
tests/public/inp/mol/geom/zmat_mixed.inp
tests/public/inp/mol/geom/zmat_mixed.ref
tests/public/inp/mol/geom/zmat_mtors.inp
tests/public/inp/mol/geom/zmat_mtors.ref
tests/public/inp/mol/geom/zmat_stdev.inp
tests/public/inp/mol/geom/zmat_stdev.ref
tests/public/inp/mol/geom/zmat_type2.inp
tests/public/inp/mol/geom/zmat_type2.ref
tests/public/inp/mol/geom/zmat_type3.inp
tests/public/inp/mol/geom/zmat_type3.ref
tests/public/inp/mol/geom/zmat_type4.inp
tests/public/inp/mol/geom/zmat_type4.ref
tests/public/inp/mol/pefunc/cos1approx1.inp
tests/public/inp/mol/pefunc/cos1approx2.inp
tests/public/inp/mol/pefunc/cos2approx1.inp
tests/public/inp/mol/pefunc/cosfunc.inp
tests/public/inp/mol/pefunc/gaussapprox.inp
tests/public/inp/mol/pefunc/polyapprox1.inp
tests/public/inp/mol/pefunc/polyfunc.inp
tests/public/inp/mol/pefunc/spline.inp
tests/public/inp/mol/rotconst/CH2F2_1.inp
tests/public/inp/mol/rotconst/CH2F2_1.ref
tests/public/inp/mol/rotconst/CHBrClF_1.inp
tests/public/inp/mol/rotconst/CHBrClF_1.ref
tests/public/inp/mol/rotconst/CHCl3_1.inp
tests/public/inp/mol/rotconst/CHCl3_1.ref
tests/public/inp/mol/rotconst/HCl_1.inp
tests/public/inp/mol/rotconst/HCl_1.ref
tests/public/inp/mol/rotconst/I2_1.inp
tests/public/inp/mol/rotconst/I2_1.ref
tests/public/inp/mol/rotconst/I2_2.inp
tests/public/inp/mol/rotconst/I2_2.ref
tests/public/inp/mol/rotconst/I2_3.inp
tests/public/inp/mol/rotconst/I2_3.ref
tests/public/inp/mol/rotconst/SiH4_1.inp
tests/public/inp/mol/rotconst/SiH4_1.ref
tests/public/inp/mol/rotconst/SiH4_2.inp
tests/public/inp/mol/rotconst/SiH4_2.ref
tests/public/inp/mol/rotconst/SiH4_3.inp
tests/public/inp/mol/rotconst/SiH4_3.ref
tests/public/inp/mol/vib/archg03w.inp
tests/public/inp/mol/vib/archg09l.inp
tests/public/inp/mol/vib/CCl4_Cfour_1.inp
tests/public/inp/mol/vib/eldiff.inp
tests/public/inp/mol/vib/freefc.inp
tests/public/inp/mol/vib/H2O_1.inp
tests/public/inp/mol/vib/H2O_Cfour_1.inp
tests/public/inp/mol/vib/H2O_Cfour_2.inp
tests/public/inp/mol/vib/H2O_Cfour_3.inp
tests/public/inp/mol/vib/H2O_Cfour_4.inp
tests/public/inp/mol/vib/H2O_Gau_1.inp
tests/public/inp/mol/vib/H2O_Orca_1.inp
tests/public/inp/mol/vib/I2_Gau_1.inp
tests/public/inp/print/compinfo.inp
tests/public/inp/print/compinfo.ref
tests/public/inp/thermo/C20H30NaO15_1.inp
tests/public/inp/thermo/C20H30NaO15_1.ref
tests/public/inp/thermo/C2Si2H6_1.inp
tests/public/inp/thermo/C2Si2H6_1.ref
tests/public/inp/thermo/thermo.inp
tests/public/inp/thermo/thermo.ref
tests/public/inp/thermo/thermo_atom.inp
tests/public/inp/thermo/thermo_atom.ref
tests/public/readme.txt
testunex.cmd
testunex.ps1
uintplot.exe
unex.exe
update.cmd
update.ps1
urdfplot.exe
version.txt
