Changing basis set for ESP module


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An example of projecting MOs from a smaller to a larger basis set is in the input file below.
More details at
https://nwchemgit.github.io/index.php/Release66:Hartree-Fock_Theory_for_Molecules#Example_of_...

start deoe_cc
title "DEOE in cc-pVDZ basis set"

memory 8192 mb
 
geometry units an
  C     -1.138458405   0.295977879   4.053849093
  H     -0.445533288   1.163188459   4.099909831
  H     -0.937699150  -0.250465408   5.000113568
  H     -2.204981379   0.606692758   4.036355973
  C     -0.878280440  -0.599376286   2.838121174
  H     -1.588777240  -1.453414605   2.849690334
  H      0.171751759  -0.913615377   3.019799948
  O     -0.889456004   0.159369511   1.63987382
  C     -0.506661211  -0.554156442   0.463286621
  H     -1.270644809  -1.314787788   0.194790778
  H      0.362807111  -1.184783051   0.747286477
  C      0.017283481   0.382141210  -0.680689543
  H     -0.674968178   1.088619621  -1.1866509
  H      0.882008136   0.772750928  -0.102765395
  O      0.641335905  -0.274634875  -1.727535359
  C      1.050331511   0.742455860  -2.74062883
  H      0.160559452   1.313580577  -3.081866636
  H      1.909272602   1.365627192  -2.411693134
  C      1.645811150  -0.133847696  -3.858747259
  H      0.860175341  -0.714554499  -4.38778127
  H      2.024928902   0.563814639  -4.635830263
  H      2.435501911  -0.811680613  -3.469835908
end

basis "smallbasis" spherical
  * library cc-pvdz
end


basis "bigbasis" spherical
  * library aug-cc-pvdz
end

set basis  "smallbasis" 
scf
 vectors input atomic output small.mos
end
task scf

set basis  "bigbasis" 
scf
 vectors input project "smallbasis" small.mos output big.mos
end
task scf


task mp2 optimize
task esp