%chk=000160983.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000160983 0 1 O 1.116200 1.056400 0.7009000 O 0.6702000 -2.369200 -0.1420000 O 1.325000 1.502600 -1.565800 N 0.3758000 -0.1009000 0.3458000 N 2.499000 -1.081000 0.3591000 C -1.042900 -7.8500003E-02 0.1890000 C -1.626900 -0.9503000 -0.7055000 C -1.780900 0.8143000 0.9374000 C 1.129400 -1.266300 0.1594000 C -3.013100 -0.9283000 -0.8590000 C -3.167100 0.8362000 0.7841000 C -3.783300 -3.5200000E-02 -0.1140000 C 3.463400 -2.148400 0.2300000 C 1.532500 1.774700 -0.3910000 C 2.302900 2.974000 7.1599998E-02 H -1.071400 -1.613700 -1.357800 H -1.314800 1.495000 1.643400 H -3.492300 -1.595300 -1.569900 H -3.766900 1.531500 1.364100 H -4.862400 -1.5699999E-02 -0.2360000 H 2.826800 -0.1788000 0.6876000 H 3.442400 -2.747300 1.143900 H 4.454100 -1.708800 9.5600002E-02 H 3.212500 -2.779400 -0.6265000 H 1.664300 3.608300 0.6916000 H 3.186600 2.653900 0.6292000 H 2.629300 3.552400 -0.7974000 %chk=000160983-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000160983 0 1 O 1.137447 0.930036 0.708274 O 0.823691 -2.489994 -0.446247 O 1.227177 1.644355 -1.555710 N 0.456670 -0.274747 0.232562 N 2.614443 -1.220609 0.372920 C -0.963683 -0.160336 0.106383 C -1.716665 -1.112959 -0.634073 C -1.626192 0.927344 0.736893 C 1.289101 -1.407556 0.018586 C -3.115366 -0.959658 -0.733105 C -3.024272 1.066753 0.613893 C -3.781094 0.126408 -0.120275 C 3.602151 -2.285882 0.180556 C 1.444809 1.879896 -0.365332 C 2.016846 3.123760 0.270577 H -1.205582 -1.954054 -1.103358 H -1.054185 1.645971 1.329774 H -3.686028 -1.699401 -1.305803 H -3.521601 1.911252 1.104318 H -4.866818 0.236541 -0.211448 H 2.882524 -0.354064 0.837924 H 4.011960 -2.635252 1.146789 H 4.435061 -1.945974 -0.462198 H 3.095442 -3.131543 -0.310475 H 1.220145 3.886919 0.340291 H 2.395543 2.924980 1.284416 H 2.816879 3.530015 -0.368333