Please try the following input with cvr_scaling=0.93
geometry units angstroms print xyz autosym
C -6.13339 0.95187 -0.04048
...
zcoord ; cvr_scaling .93d0 ;end
end
geometry adjust
zcoord
torsion 4 5 26 27 180.0 alpha constant
torsion 27 28 31 33 180.0 beta constant
torsion 33 34 37 81 180.0 gamma constant
torsion 81 82 85 106 180.0 delta constant
torsion 106 107 130 131 180.0 zeta constant
torsion 131 132 136 156 180.0 eta constant
torsion 156 157 160 161 180.0 theta constant
cvr_scaling .93d0
end
end
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