%chk=000113622.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113622 0 1 Cl -4.079300 -0.5730000 -3.9999999E-04 N 1.614400 0.6052000 -1.9999999E-04 N 1.050400 -1.544700 9.9999997E-05 N 3.379000 -0.9488000 -9.9999997E-05 C 0.2431000 0.5865000 -9.9999997E-05 C -8.4399998E-02 -0.7666000 0.000000 C 2.049500 -0.6908000 9.9999997E-05 C -0.7097000 1.605800 0.000000 C 2.438800 1.794300 0.000000 C -1.438100 -1.143500 9.9999997E-05 C -2.052000 1.212700 3.0000001E-04 C -2.411800 -0.1370000 1.9999999E-04 H -0.4409000 2.655600 -9.9999997E-05 H 3.060200 1.782000 0.8994000 H 3.060200 1.782300 -0.8994000 H 1.820600 2.693100 9.9999997E-05 H -1.712900 -2.194000 9.9999997E-05 H -2.818800 1.984800 3.0000001E-04 H 3.728900 -1.901700 -3.9999999E-04 H 4.088900 -0.2236000 -6.0000003E-04 %chk=000113622-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000113622 0 1 Cl -4.188702 -0.629477 0.000201 N 1.650038 0.661745 -0.000136 N 1.068239 -1.572601 -0.000118 N 3.415607 -1.015617 -0.000133 C 0.235526 0.622045 -0.000051 C -0.099792 -0.778667 -0.000047 C 2.078732 -0.680119 -0.000143 C -0.744169 1.628949 -0.000015 C 2.505128 1.846586 0.000023 C -1.453304 -1.180275 0.000006 C -2.100648 1.221735 0.000057 C -2.420028 -0.158091 0.000073 H -0.497382 2.696216 -0.000041 H 3.145731 1.883871 0.902142 H 3.145538 1.884294 -0.902217 H 1.873177 2.748367 0.000301 H -1.727079 -2.237947 0.000008 H -2.902246 1.965466 0.000099 H 3.645268 -2.005083 -0.000159 H 4.156465 -0.322796 -0.000447