%chk=000053814.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000053814 0 1 Cl 6.191700 0.2365000 0.5081000 O 0.2417000 -1.967900 -0.8947000 O -6.031800 0.2031000 0.4349000 O -4.112200 -0.2574000 1.559100 C 0.2805000 0.3409000 -0.2262000 C -2.490000 0.4317000 -0.5590000 C -0.4117000 -0.7975000 -0.6429000 C 1.716100 0.3150000 -4.7699999E-02 C -1.795900 -0.7521000 -0.8092000 C -0.4157000 1.524700 2.3900000E-02 C -1.799700 1.570100 -0.1424000 C -3.969800 0.4806000 -0.7364000 C 2.258800 -2.8600000E-02 1.190300 C 2.557300 0.6345000 -1.113700 C 3.642800 -5.2700002E-02 1.362500 C 3.941400 0.6103000 -0.9415000 C 4.484200 0.2666000 0.2967000 C -4.682300 0.1130000 0.5406000 C 0.3946000 -2.870900 0.1977000 H -2.329400 -1.642700 -1.132800 H 0.1054000 2.422000 0.3498000 H -2.329000 2.497900 5.7700001E-02 H -4.283100 -0.2132000 -1.525000 H -4.282100 1.487900 -1.035700 H 1.618100 -0.2759000 2.033300 H 2.150500 0.9041000 -2.085500 H 4.051800 -0.3214000 2.333100 H 4.584700 0.8612000 -1.781000 H -0.4296000 -3.590400 0.1838000 H 0.4104000 -2.360300 1.165800 H 1.335500 -3.412800 6.8400003E-02 H -6.482100 -5.3199999E-02 1.267800 %chk=000053814-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000053814 0 1 Cl 6.451128 0.286586 0.528409 O 0.189418 -1.804509 -1.193441 O -6.123461 0.084763 0.515223 O -4.482051 -1.552328 0.420236 C 0.335700 0.403533 -0.087885 C -2.530909 0.602765 -0.336595 C -0.439740 -0.637699 -0.682419 C 1.818601 0.337428 0.059252 C -1.840295 -0.538749 -0.805361 C -0.377293 1.546046 0.369885 C -1.778449 1.646400 0.255415 C -4.038078 0.731100 -0.483811 C 2.446300 0.893665 1.208890 C 2.648241 -0.239499 -0.943125 C 3.849239 0.883550 1.361079 C 4.052835 -0.255562 -0.807460 C 4.634287 0.308045 0.344371 C -4.838534 -0.378205 0.190747 C 0.232264 -2.928531 -0.235612 H -2.381361 -1.372583 -1.263170 H 0.184351 2.384158 0.797184 H -2.287303 2.547454 0.617398 H -4.326410 0.704614 -1.555571 H -4.398838 1.697814 -0.095307 H 1.832630 1.317957 2.011163 H 2.187769 -0.678961 -1.830971 H 4.318483 1.306434 2.253971 H 4.681560 -0.694948 -1.587273 H -0.788354 -3.193263 0.101765 H 0.859356 -2.672126 0.640249 H 0.679410 -3.771919 -0.783345 H -6.649396 -0.660329 0.915911