CCL: Gaussian command and second derivatives
- From: "Sergio Manzetti"
<sergio.manzetti++outlook.com>
- Subject: CCL: Gaussian command and second derivatives
- Date: Wed, 18 Mar 2015 05:04:01 -0400
Sent to CCL by: "Sergio Manzetti" [sergio.manzetti#outlook.com]
Dear all, I am not sure where in the following G09 command the second order
derivatives are issued (not actually looking to use them at all):
!QCISD(FULL,Conver=16,MaxCyc=1400)/genECP
%mem=9686MB
%chk=R.chk
%nprocshared=4
#P QCISD(FULL,Conver=16,MaxCyc=1400)/genECP
# Opt MaxDisk=50GB
# Freq(VCD,Raman,Numerical) pop=NBOREAD
# Gfinput IOP(6/7=3) Pop=full Density Test
# Units(Ang,Deg)
Which part of this command line issues the second order derivatives?
Thanks