%nprocshared=12 %mem=41400MB %NoSave %Chk=chk.chk %rwf=/tmp/pbs.3915374.cx1b/rwf # opt freq CCSD(T)/6-311G(d,p) Title Card Required 0 1 C O 1 BL1 C 2 BL2 1 BA1 O 3 BL3 2 BA2 1 0.00000000 0 C 3 BL4 2 BA3 1 180.00000000 0 H 1 BL5 2 BA4 3 DA1 0 H 1 BL6 2 BA5 3 180.00000000 0 H 1 BL5 2 BA4 3 -DA1 0 H 5 BL7 3 BA6 2 180.00000000 0 H 5 BL8 3 BA7 2 DA2 0 H 5 BL8 3 BA7 2 -DA2 0 BL1=1.42741114 BL2=1.34365180 BL3=1.20077499 BL4=1.50388777 BL5=1.09147575 BL6=1.08772062 BL7=1.08759649 BL8=1.09166809 BA1=115.51638140 BA2=123.33026400 BA3=110.90131193 BA4=110.64621756 BA5=105.69669571 BA6=109.42211749 BA7=109.77299475 DA1=-60.36406666 DA2=-58.99040576