From ecd51be214147b3f5a324e387ab83096a14d79b0 Mon Sep 17 00:00:00 2001
From: Marcel Mueller <63649718+marcelmbn@users.noreply.github.com>
Date: Thu, 28 Jan 2021 10:49:36 +0100
Subject: [PATCH] Minor corrections in units of output (amu to km/mol) and
 nicer superscripts of cm-1. (#426)

---
 src/hessian.F90       | 4 ++--
 src/main/property.F90 | 6 +++---
 2 files changed, 5 insertions(+), 5 deletions(-)

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)