echo

start h2o2-prop-notrans
title h2o2-prop-notrans

geometry units angstrom nocenter
symmetry c1
  O     -1.917190     -0.120353     -0.010972
  O     -0.426534     -0.047349      0.013490
  H     -0.255812     -0.659080      0.763619
  H     -2.118984      0.784440      0.315334
end

basis
  * library 6-31G**
end

dft
direct
xc xcamb88 1.00 lyp 0.81 vwn_5 0.19 hfexch 1.00
cam 0.33 cam_alpha 0.19 cam_beta 0.46
iterations 100
tolerances tight
end

cosmo
 dielec 78
end

property
 aoresponse  1  0.077318
 convergence 1e-7
 orbeta
 giao
end

set prop:newaoresp 1

set cphf:thresh 1e-6
set cphf:acc 1.0d-10

task dft property
