%chk=000112968.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112968 0 1 Cl -0.6821000 -2.824000 -2.2000000E-03 F 0.7352000 2.080400 -2.9000000E-03 N 1.392300 -0.5993000 -5.4000001E-03 C 3.9099999E-02 -0.1916000 -2.6000000E-03 C 2.479700 0.3273000 -7.1000000E-03 C -0.9970000 -1.125400 -3.9999999E-04 C -0.2515000 1.172700 -1.2000001E-03 C 3.800600 -0.4176000 1.2300000E-02 C -2.323800 -0.6949000 2.9000000E-03 C -1.578200 1.603200 2.3000001E-03 C -2.614300 0.6694000 4.3000001E-03 H 2.464100 0.9513000 -0.9080000 H 2.454000 0.9666000 0.8829000 H 1.573800 -1.597100 -1.0300000E-02 H 3.884500 -1.048200 0.9040000 H 3.900200 -1.065900 -0.8651000 H 4.638000 0.2872000 1.2600000E-02 H -3.143000 -1.409500 4.4000000E-03 H -1.804200 2.665400 3.4000000E-03 H -3.647400 1.004700 6.8999999E-03 %chk=000112968-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000112968 0 1 Cl -0.530456 -2.832097 0.001274 F 0.596975 2.292818 -0.002906 N 1.400365 -0.502036 -0.000697 C 0.077374 -0.097639 -0.000029 C 2.608160 0.347274 -0.003233 C -0.991610 -1.052825 0.001284 C -0.374889 1.258077 -0.000539 C 3.859445 -0.548098 0.009556 C -2.352139 -0.714852 0.002322 C -1.721018 1.639700 0.000499 C -2.728027 0.648339 0.002064 H 2.619340 0.998632 -0.897805 H 2.611287 1.013406 0.879976 H 1.550229 -1.513184 -0.005142 H 3.885187 -1.185008 0.913154 H 3.892206 -1.201040 -0.882404 H 4.770470 0.074670 0.007203 H -3.105506 -1.507592 0.003356 H -1.963134 2.706644 -0.000080 H -3.784260 0.929511 0.002946