%chk=000148339.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000148339 0 1 O 1.163200 -1.602500 0.5694000 O -1.163400 -1.602300 -0.5694000 N 2.846700 0.7136000 -0.1159000 N -2.846500 0.7140000 0.1159000 N 3.918200 0.7854000 -5.4000001E-03 N -3.918200 0.7851000 5.5000000E-03 C 0.7414000 -0.5137000 7.9200000E-02 C -0.7415000 -0.5136000 -7.9300001E-02 C 1.397200 0.6169000 -0.2646000 C -1.397200 0.6170000 0.2646000 H 0.9044000 1.483600 -0.6934000 H -0.9042000 1.483700 0.6933000 %chk=000148339-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000148339 0 1 O 1.316929 -1.539663 0.694851 O -1.316855 -1.539173 -0.696269 N 2.775479 0.750628 -0.161195 N -2.775439 0.750369 0.161407 N 3.931064 0.699454 0.053083 N -3.931149 0.699655 -0.052281 C 0.766002 -0.549980 0.140906 C -0.765937 -0.549891 -0.141599 C 1.458251 0.659794 -0.324628 C -1.458221 0.659532 0.324814 H 0.958051 1.463563 -0.865210 H -0.958074 1.462911 0.866020