diff --git a/src/hessian.F90 b/src/hessian.F90 index f965e3d3c..de3b1cfc6 100644 --- a/src/hessian.F90 +++ b/src/hessian.F90 @@ -388,9 +388,9 @@ subroutine numhess( & write(env%unit,'(a)') if(res%linear)then - write(env%unit,'(1x,a)') 'vibrational frequencies (cm-1)' + write(env%unit,'(1x,a)') 'vibrational frequencies (cm⁻¹)' else - write(env%unit,'(1x,a)') 'projected vibrational frequencies (cm-1)' + write(env%unit,'(1x,a)') 'projected vibrational frequencies (cm⁻¹)' endif k=0 do i=1,n3 diff --git a/src/main/property.F90 b/src/main/property.F90 index d77e59413..f2d49ff25 100644 --- a/src/main/property.F90 +++ b/src/main/property.F90 @@ -431,15 +431,15 @@ subroutine main_freq & allocate( xyz0(3,mol%n), h(3*mol%n,3*mol%n), bond(mol%n,mol%n), cn(mol%n), source = 0.0_wp ) if(res%linear)then - write(iunit,'(1x,a)') 'vibrational frequencies (cm-1)' + write(iunit,'(1x,a)') 'vibrational frequencies (cm⁻¹)' else - write(iunit,'(1x,a)') 'projected vibrational frequencies (cm-1)' + write(iunit,'(1x,a)') 'projected vibrational frequencies (cm⁻¹)' endif call PREIGF(iunit,res%freq,res%n3true) write(iunit,'(1x,a)') 'reduced masses (amu)' write(iunit,'(8(i4,'':'',f6.2))') (i,res%rmass(i),i=1,res%n3) - write(iunit,'(1x,a)') 'IR intensities (amu)' + write(iunit,'(1x,a)') 'IR intensities (km·mol⁻¹)' write(iunit,'(8(i4,'':'',f6.2))') (i,res%dipt(i),i=1,res%n3) write(iunit,'(1x,a)') 'Raman intensities (amu)' write(iunit,'(8(i4,'':'',f6.2))') (i,res%polt(i),i=1,res%n3)