%chk=000108326.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108326 0 1 S -4.281900 -0.6164000 7.5199999E-02 S -1.858100 0.2800000 -1.556500 O -4.577000 -1.228500 -1.207000 O -4.367600 -1.363900 1.316400 O 2.005800 2.487400 3.7300002E-02 N -0.6825000 0.4564000 0.7088000 N -1.941500 3.8600001E-02 1.054200 N 0.6400000 1.094600 -1.227000 N -5.157800 0.8406000 0.2278000 C -2.634600 -9.0999998E-02 -3.2900002E-02 C -0.4181000 0.6766000 -0.6245000 C 0.2524000 0.6945000 1.785700 C 2.685800 0.2596000 -0.2268000 C 1.744700 1.394100 -0.4572000 C 2.391500 -0.9648000 -0.7824000 C 3.812700 0.4808000 0.5320000 C 3.271500 -2.025500 -0.5673000 C 4.692700 -0.5799000 0.7470000 C 4.422000 -1.833100 0.1972000 H 0.5889000 1.732400 1.821700 H 1.084400 -9.8999999E-03 1.772000 H -0.2445000 0.5260000 2.750500 H 1.516000 -1.158800 -1.392000 H 4.042200 1.447300 0.9697000 H -6.138700 0.8285000 -7.9599999E-02 H -5.022900 1.377600 1.094100 H 3.062600 -3.000900 -0.9970000 H 5.588600 -0.4305000 1.342500 H 5.107500 -2.658900 0.3643000 %chk=000108326-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108326 0 1 S -4.995035 -0.243506 0.081584 S -1.997322 -0.530154 -1.058062 O -5.185142 -1.141706 -1.257965 O -5.627878 -0.618291 1.524315 O 1.807270 1.757405 0.588410 N -1.206039 0.482704 1.277827 N -2.597208 0.424166 1.367302 N 0.637206 -0.111708 -0.234688 N -5.471747 1.455963 -0.360124 C -3.111774 -0.057639 0.266175 C -0.598511 0.020081 0.094700 C -0.455345 0.914974 2.473316 C 3.076471 -0.178786 -0.154113 C 1.812741 0.571269 0.119589 C 3.064845 -1.468361 -0.746826 C 4.312649 0.423545 0.200034 C 4.278229 -2.149642 -0.978253 C 5.523260 -0.259026 -0.033553 C 5.508598 -1.547199 -0.622171 H 0.317840 1.641690 2.172559 H 0.023652 0.046360 2.959037 H -1.175865 1.373187 3.164513 H 2.104911 -1.913492 -1.026119 H 4.296654 1.421339 0.650789 H -5.995195 1.446212 -1.248941 H -5.957760 1.906933 0.429483 H 4.268227 -3.143989 -1.437606 H 6.475935 0.207478 0.239567 H 6.450434 -2.076905 -0.804578