%chk=molecule %nproc=8 %mem=12GB #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) fopt iop(6/50=1) remark line goes here 0 1 C 2.3976000000 -0.2170000000 -0.6709000000 C -1.2681000000 -0.7319000000 0.0002000000 C -1.3867000000 -1.9682000000 -0.6700000000 C -2.5952000000 -2.6573000000 -0.6707000000 C -3.7034000000 -2.1377000000 0.0009000000 C -3.5988000000 -0.9180000000 0.6721000000 C -2.3976000000 -0.2161000000 0.6708000000 N -0.0000000000 0.0000000000 0.0000000000 C 1.2679000000 -0.7322000000 -0.0001000000 C 1.3862000000 -1.9682000000 0.6708000000 C 2.5946000000 -2.6576000000 0.6718000000 C 3.7030000000 -2.1385000000 0.0000000000 C 3.5986000000 -0.9190000000 -0.6718000000 C 0.0002000000 1.4641000000 -0.0004000000 C -1.0112000000 2.1847000000 -0.6710000000 C -1.0036000000 3.5758000000 -0.6722000000 C 0.0005000000 4.2761000000 -0.0009000000 C 1.0045000000 3.5759000000 0.6706000000 C 1.0117000000 2.1847000000 0.6700000000 H -2.6778000000 -3.6117000000 -1.2011000000 H -4.6514000000 -2.6849000000 0.0011000000 H -4.4664000000 -0.5120000000 1.2028000000 H -2.3273000000 0.7421000000 1.2010000000 H -0.5219000000 -2.3867000000 -1.2004000000 H 2.3275000000 0.7411000000 -1.2014000000 H 0.5214000000 -2.3863000000 1.2013000000 H 2.6770000000 -3.6117000000 1.2027000000 H 4.6509000000 -2.6859000000 0.0001000000 H 4.4663000000 -0.5136000000 -1.2026000000 H -1.8060000000 1.6449000000 -1.2011000000 H -1.7888000000 4.1244000000 -1.2029000000 H 0.0006000000 5.3707000000 -0.0011000000 H 1.7898000000 4.1245000000 1.2011000000 H 1.8064000000 1.6449000000 1.2003000000 g09.gesp g09.gesp