%chk=000081362.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081362 0 1 Cl 2.972900 -2.007700 6.0300000E-02 O -2.035500 -1.479300 -0.4927000 O 2.809300 0.9601000 0.5093000 O -1.847200 2.541600 0.1686000 O -3.053200 0.7602000 -0.2686000 N -1.949500 1.309600 -4.0399998E-02 C -0.7746000 0.5089000 -1.8400000E-02 C -0.8433000 -0.8657000 -0.2451000 C 1.619600 0.3432000 0.2605000 C 0.4568000 1.113300 0.2345000 C 0.3195000 -1.635800 -0.2191000 C 1.550900 -1.031300 3.3500001E-02 C -2.758000 -1.967800 0.6351000 C 3.532400 1.450600 -0.6174000 H 0.5431000 2.182200 0.4162000 H 0.2575000 -2.707000 -0.3973000 H -2.334700 -2.926000 0.9524000 H -3.797300 -2.128800 0.3354000 H -2.737100 -1.264500 1.474200 H 2.977000 2.260700 -1.100800 H 3.729500 0.6516000 -1.338700 H 4.488900 1.845900 -0.2645000 %chk=000081362-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000081362 0 1 Cl 3.047679 -1.939009 -0.035185 O -2.088200 -1.502029 -0.533365 O 2.818740 1.125624 0.498968 O -1.889001 2.668643 -0.154786 O -3.147763 0.885970 0.504064 N -2.030178 1.417579 0.138276 C -0.828557 0.560506 0.069850 C -0.908195 -0.840570 -0.189710 C 1.619015 0.463679 0.210654 C 0.418496 1.198878 0.244420 C 0.303730 -1.571795 -0.239879 C 1.537787 -0.936286 -0.028473 C -2.858759 -2.122869 0.573036 C 3.722982 1.371276 -0.650722 H 0.456376 2.276690 0.422497 H 0.255425 -2.641252 -0.462476 H -2.230748 -2.859119 1.110371 H -3.700423 -2.630146 0.080097 H -3.230025 -1.342761 1.257360 H 3.223433 2.017827 -1.396533 H 4.042520 0.423245 -1.119120 H 4.592667 1.889918 -0.222344