#p ROCCSD(T) cc-pVTZ pop=full gfprint G2 0,1 C C,1,CC X,2,1.,1,90. H,2,CH,3,90.,1,180.,0 X,1,1.,2,90.,3,180.,0 H,1,CH,5,90.,2,180.,0 CC=1.1989086 CH=1.06216907