%chk=000289535.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289535 0 1 Br 5.205136 -0.016613 -0.322123 Cl -5.739212 0.021082 0.289917 O -0.752574 0.032400 0.743337 O -1.433204 -0.055413 -1.425964 C -3.056405 0.022290 0.420287 C 0.611475 0.017258 0.400138 C -1.718718 -0.007410 -0.261121 C -4.186748 -0.022390 -0.596678 C 1.270047 1.241767 0.248560 C 1.265208 -1.217355 0.333100 C 2.650626 1.224510 0.033254 C 2.645798 -1.220357 0.117219 C 3.319524 -0.002818 -0.028760 H -3.132159 -0.825312 1.143150 H -3.132070 0.930107 1.065979 H -4.161440 0.843452 -1.288490 H -4.164743 -0.948109 -1.206109 H 0.718030 2.178283 0.301756 H 0.709536 -2.145857 0.450228 H 3.194223 2.164100 -0.086966 H 3.185672 -2.168116 0.061784 %chk=000289535-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000289535 0 1 Br 5.291883 -0.045749 -0.451016 Cl -5.896065 0.017493 0.201008 O -0.757167 0.077054 0.830824 O -1.457214 -0.123503 -1.402969 C -3.118342 0.045618 0.426683 C 0.632676 0.045153 0.468933 C -1.732257 -0.013326 -0.194781 C -4.209975 -0.064735 -0.640363 C 1.327828 1.261146 0.327546 C 1.283350 -1.197176 0.343386 C 2.713945 1.236735 0.053458 C 2.668796 -1.226566 0.068082 C 3.366391 -0.008015 -0.072952 H -3.210158 -0.766442 1.170686 H -3.215131 0.990070 0.992522 H -4.186112 0.767753 -1.356444 H -4.183073 -1.023984 -1.174771 H 0.797945 2.212356 0.434095 H 0.719989 -2.127727 0.460123 H 3.270191 2.171445 -0.058207 H 3.190501 -2.182100 -0.033346