%nprocshared=4
%mem=7000MB
%NoSave
%chk=\\icfs7.cc.ic.ac.uk\kg809\Computational Module 2\Mini Project official\CO\chk.chk
%rwf=\tmp\pbs.849875.cx1b\rwf
# opt freq b3lyp/6-311g(d,p) geom=connectivity

Frequency + optimisation of CO gas molecule

0 1
 C                 -1.97604804   -2.14570855    0.00000000
 O                 -0.61876252   -2.10578839    0.00000000

 1 2 3.0
 2