%chk=000119182.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000119182 0 1 Cl 1.731000 3.376100 0.3727000 F -1.399300 -0.5472000 1.814300 O -1.705400 6.9600001E-02 -1.102900 O -4.342300 -1.261400 -1.7300000E-02 O -2.058400 2.824800 -0.8623000 N 8.2500003E-02 -1.311000 -0.3602000 N 2.091100 -2.289600 -0.3110000 N 0.7452000 1.001100 -1.2600000E-02 N 3.165600 1.209600 0.2204000 N 4.634600 -0.6757000 0.1076000 C -1.365200 -1.173400 -0.4649000 C -3.354700 -0.4102000 0.5562000 C -2.108600 -1.206500 0.8606000 C -2.880100 0.6164000 -0.4694000 C -2.493000 1.947100 0.1614000 C 0.9936000 -0.3093000 -0.1563000 C 0.7954000 -2.481600 -0.4454000 C 2.229200 -0.9363000 -0.1296000 C 3.342100 -0.1250000 6.7199998E-02 C 1.896800 1.682700 0.1717000 H -1.720800 -1.971200 -1.128600 H -3.792900 5.9599999E-02 1.442100 H -2.287700 -2.226300 1.212700 H -3.620600 0.7796000 -1.260700 H -1.681800 1.844100 0.8877000 H -3.350500 2.405700 0.6627000 H 0.3149000 -3.437300 -0.6042000 H -4.575700 -1.928200 0.6510000 H -1.294000 2.410200 -1.298100 H 4.769500 -1.671100 -6.2000002E-03 H 5.427100 -6.4999998E-02 0.2522000 %chk=000119182-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000119182 0 1 Cl 1.788831 3.590003 0.053497 F -1.359773 -0.656469 1.868548 O -1.873586 -0.071830 -1.236135 O -4.450268 -1.278714 -0.089059 O -1.596394 2.665412 -0.691269 N 0.036970 -1.284494 -0.430998 N 2.105263 -2.276556 -0.261835 N 0.767411 1.119594 -0.208365 N 3.190869 1.306089 0.107184 N 4.623433 -0.567163 0.156450 C -1.431887 -1.259647 -0.535583 C -3.440368 -0.433988 0.563868 C -2.174983 -1.286158 0.835057 C -2.957000 0.613703 -0.452600 C -2.400482 1.892053 0.225744 C 0.953138 -0.236952 -0.250436 C 0.791545 -2.475806 -0.434701 C 2.219670 -0.882113 -0.146791 C 3.364823 -0.054699 0.040910 C 1.935979 1.783604 -0.023870 H -1.723646 -2.158174 -1.115712 H -3.815742 0.024372 1.499407 H -2.396546 -2.307253 1.189283 H -3.739253 0.856654 -1.188510 H -1.822960 1.618282 1.133610 H -3.254217 2.527784 0.527369 H 0.321432 -3.447855 -0.572307 H -4.940560 -1.806270 0.591558 H -0.707766 2.193863 -0.736785 H 4.764585 -1.574425 0.107163 H 5.409081 0.067454 0.286110