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| $ cat brol
----------------------------
! Optimized Parameters !
! (Angstroms and Degrees) !
---------------------- ----------------------
! Name Value Derivative information (Atomic Units) !
------------------------------------------------------------------------
! oc2 1.3916 -DE/DX = 0.0001 !
! po3 1.7943 -DE/DX = 0.0 !
! poc3 115.0819 -DE/DX = 0.0 !
! op4 1.5398 -DE/DX = 0.0 !
! opo4 100.67 -DE/DX = 0.0 !
! dih4 180.0 -DE/DX = 0.0 !
! op5 1.5485 -DE/DX = 0.0 !
! opo5 102.861 -DE/DX = 0.0 !
------------------------------------------------------------------------
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
$ awk '/Parameters/,/^ !.*Name/ {next} /^ !/ { print $2,$3 }' brol
oc2 1.3916
po3 1.7943
poc3 115.0819
op4 1.5398
opo4 100.67
dih4 180.0
op5 1.5485
opo5 102.861
$ |
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