%chk=000112948.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112948 0 1 I 3.798200 3.0000001E-04 -9.9999997E-05 Cl 1.728700 -2.763200 1.6000000E-03 Cl 1.727500 2.763700 -3.9999999E-04 O -3.155500 1.097500 2.4999999E-03 O -3.155500 -1.097800 -1.0000000E-03 N -2.547700 -1.9999999E-04 1.9999999E-04 C -1.127500 -1.9999999E-04 -1.5000000E-03 C -0.4303000 1.207900 -5.0000002E-04 C -0.4299000 -1.208100 -1.3000000E-03 C 0.9650000 -1.207900 -3.0000001E-04 C 0.9646000 1.208000 3.0000001E-04 C 1.662200 9.9999997E-05 5.0000002E-04 H -0.9599000 2.158400 -5.0000002E-04 H -0.9593000 -2.158800 -1.4000000E-03 %chk=000112948-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000112948 0 1 I 3.829839 0.000509 0.001229 Cl 1.802755 -2.819358 -0.000104 Cl 1.802194 2.819702 0.000263 O -3.200492 1.143337 0.002366 O -3.200213 -1.144094 0.001784 N -2.601313 -0.000304 -0.002172 C -1.113931 -0.000130 -0.001194 C -0.437922 1.233803 -0.000832 C -0.437649 -1.233915 -0.000857 C 0.967136 -1.214996 -0.000263 C 0.966865 1.215193 -0.000064 C 1.708910 0.000191 0.000238 H -1.003029 2.168507 -0.001109 H -1.002550 -2.168744 -0.001185