basis=aug-cc-pVDZ
calc=CCSDT(Q)
scftype=ROHF
mult=3
mem=40000MB
molden=on
scfiguess=mo
scfmaxit=500
scfguessdens=uhf
ccmaxit=200
rest=1
unit=angs
geom=xyz

4

  O      0.000000    0.000000    0.000000
  N      1.215948    0.000000    0.000000
  H      1.565761    0.994254    0.000000
  O      2.431377   -0.954151    1.549492







 
 
 
 
 
 
 
 
















