Question on running NWCHem


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Sorry for the previous post --- I am not yet familiar with this forum.

the input deck is


title "Ethane computation"
MEMORY 50 mb
geometry units au
 c           0.6094586161   0.6160650301  -1.2654645911

 c           1.8999383856   0.8008185091  -0.9716170053

 h           0.1832886491   0.9616353117  -2.2014576524

 h           -0.0650946835   0.1131451391  -0.5805989621

 h           2.3264366884   0.4553960096  -0.0357437284

 h           2.5742223443   1.3038000003  -1.6567380607

end
basis noprint
 c library 3-21g

 h library 3-21g

end
task scf optimize
task scf vscf