%chk=000023252.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000023252 0 1 O 3.280700 0.1777000 0.6642000 N 2.061100 0.5123000 6.2199999E-02 C 0.1652000 -0.5047000 -1.217600 C -0.3852000 0.8812000 -1.693300 C -0.9921000 -0.5292000 -0.2641000 C -1.475500 0.6872000 -0.6819000 C 1.512600 -0.5334000 -0.4762000 C -1.609700 -1.260800 0.7228000 C -2.607100 1.249100 -0.1392000 C -2.762900 -0.7169000 1.294500 C 2.240600 -1.848500 -0.3704000 C -3.258400 0.5300000 0.8662000 C 3.830700 1.356000 1.233000 H 0.1220000 -1.256900 -2.016600 H -0.6997000 0.8964000 -2.743400 H 0.2774000 1.738100 -1.531400 H -1.221200 -2.218900 1.046000 H -2.981000 2.208900 -0.4746000 H -3.284400 -1.259900 2.078100 H 1.653800 -2.638400 -0.8482000 H 3.206700 -1.790800 -0.8801000 H 2.380100 -2.125700 0.6786000 H -4.156800 0.9352000 1.324100 H 4.783300 1.101000 1.704800 H 3.157900 1.760300 1.995700 H 4.012700 2.104700 0.4557000 %chk=000023252-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000023252 0 1 O 3.527286 0.242593 0.586489 N 2.296125 0.587014 -0.150337 C 0.257776 -0.300571 -1.091578 C -0.284530 1.182900 -1.319212 C -1.039176 -0.548590 -0.275753 C -1.524175 0.759934 -0.516914 C 1.572682 -0.491167 -0.362483 C -1.752579 -1.495203 0.473137 C -2.766189 1.193789 -0.030245 C -3.011561 -1.062792 0.979431 C 1.953335 -1.888553 0.077079 C -3.505461 0.244745 0.731828 C 4.303447 1.478842 0.749856 H 0.282051 -0.892073 -2.029246 H -0.455353 1.453097 -2.375773 H 0.354269 1.945174 -0.845034 H -1.386484 -2.509217 0.668795 H -3.159699 2.200201 -0.210339 H -3.619662 -1.755081 1.573575 H 1.335704 -2.644243 -0.436066 H 3.021998 -2.081002 -0.121565 H 1.810616 -2.000146 1.168881 H -4.482128 0.527006 1.142562 H 5.205041 1.175795 1.307585 H 3.732127 2.229301 1.325580 H 4.585343 1.902247 -0.231353