---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! ---------------------- ------------------------------------------------------------------------ ! Name Value Derivative information (Atomic Units) ! ------------------------------------------------------------------------ ! hc2 1.1136 -DE/DX = 0.0 ! ! nc3 1.3392 -DE/DX = 0.0 ! ! nch3 117.4979 -DE/DX = 0.0 ! ! hn4 0.9929 -DE/DX = 0.0 ! ------------------------------------------------------------------------ GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad