%chk=000080528.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000080528 0 1 Cl 2.180500 -1.299600 -3.0000001E-04 N -0.3932000 -1.451600 1.9999999E-04 N 1.541500 1.705100 3.9999999E-04 C 0.4539000 0.8128000 -3.0000001E-04 C -0.8458000 1.306700 -1.9999999E-04 C 0.6249000 -0.5622000 9.9999997E-05 C -1.919500 0.4231000 0.000000 C -1.642200 -0.9344000 9.9999997E-05 H -1.035700 2.376900 -3.0000001E-04 H -2.941100 0.7855000 0.000000 H -2.444300 -1.665100 1.9999999E-04 H 2.487000 1.346200 -1.4000000E-03 H 1.381000 2.703600 -1.9000000E-03 %chk=000080528-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000080528 0 1 Cl 2.319651 -1.251007 -0.000416 N -0.405614 -1.438277 0.000150 N 1.566168 1.692421 -0.000678 C 0.467653 0.854691 -0.000448 C -0.878903 1.333861 -0.000348 C 0.596270 -0.572067 -0.000203 C -1.953736 0.421622 0.000005 C -1.688150 -0.967771 0.000243 H -1.060090 2.414914 -0.000522 H -2.988106 0.780195 0.000072 H -2.486443 -1.715417 0.000547 H 2.502055 1.291372 -0.000635 H 1.456246 2.702463 -0.001169