%chk=000108519.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108519 0 1 O 2.707900 -0.3997000 9.9999997E-05 N 1.465600 0.2494000 -1.9999999E-04 N -3.608900 0.3870000 8.9999998E-04 C -0.8965000 -0.2890000 -1.0000000E-03 C 3.723600 0.5920000 3.0000001E-04 C -1.864600 -1.287100 -3.0000001E-04 C -1.283000 1.046600 -7.9999998E-04 C 5.076300 -8.7700002E-02 5.0000002E-04 C 0.5141000 -0.6406000 -3.9999999E-04 C -3.195000 -0.9001000 6.9999998E-04 C -2.639500 1.329200 9.9999997E-05 H 3.624000 1.220900 -0.8917000 H 3.623600 1.220800 0.8924000 H -1.601300 -2.339500 -9.9999997E-05 H -0.5670000 1.861400 -1.1000000E-03 H 5.884200 0.6493000 6.9999998E-04 H 5.184600 -0.7310000 0.8801000 H 5.184900 -0.7308000 -0.8791000 H 0.7641000 -1.717600 -3.0000001E-04 H -3.988600 -1.640000 1.4000000E-03 H -2.993200 2.355000 3.9999999E-04 %chk=000108519-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108519 0 1 O 2.761019 -0.416599 0.000197 N 1.460032 0.214108 0.000171 N -3.686391 0.398319 -0.000034 C -0.903114 -0.297525 0.000151 C 3.806024 0.634639 0.000243 C -1.915953 -1.295824 0.000205 C -1.323053 1.064103 -0.000017 C 5.150023 -0.093141 0.000168 C 0.510445 -0.698890 0.000172 C -3.273654 -0.904571 0.000108 C -2.702034 1.353707 -0.000096 H 3.676533 1.266931 -0.899052 H 3.676577 1.266812 0.899625 H -1.651527 -2.359882 0.000288 H -0.578604 1.865856 -0.000101 H 5.970318 0.647740 0.000206 H 5.255451 -0.729425 0.895997 H 5.255419 -0.729301 -0.895757 H 0.752110 -1.774088 0.000205 H -4.071243 -1.656531 0.000145 H -3.053075 2.392064 -0.000222