%chk=000076077.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000076077 0 1 N 0.2001000 0.1481000 -0.4236000 N -0.4746000 0.1612000 0.6328000 N 1.712000 -2.238400 -0.1459000 C 1.548600 0.1966000 -0.2376000 C 2.334700 -0.9716000 -9.5600002E-02 C 2.219400 1.440200 -0.1794000 C 3.714700 -0.8990000 9.4200000E-02 C -1.839000 0.1061000 0.3325000 C 3.599400 1.512700 1.0300000E-02 C 4.347100 0.3432000 0.1472000 C -2.479900 -1.128000 0.2231000 C -2.559300 1.285200 0.1424000 C -3.841100 -1.182900 -7.6600000E-02 C -3.920600 1.230400 -0.1571000 C -4.561400 -3.7000000E-03 -0.2667000 H 1.652000 2.362800 -0.2848000 H 4.309200 -1.802500 0.2024000 H 4.091900 2.479800 5.1500000E-02 H 5.421600 0.3999000 0.2949000 H -1.927400 -2.052400 0.3702000 H -2.069200 2.251800 0.2263000 H -4.340200 -2.143800 -0.1617000 H -4.481600 2.148600 -0.3049000 H -5.621300 -4.6399999E-02 -0.4999000 H 0.7120000 -2.302100 -0.2826000 H 2.264000 -3.079800 -4.6100002E-02 %chk=000076077-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000076077 0 1 N 0.277364 -0.171239 -0.241832 N -0.571147 0.241765 0.672588 N 2.062150 -1.019370 -2.106252 C 1.646758 -0.029882 0.083336 C 2.562303 -0.491897 -0.933042 C 2.152382 0.516017 1.298044 C 3.965735 -0.387607 -0.690176 C -1.952334 0.092630 0.327059 C 3.533430 0.610554 1.519304 C 4.437164 0.154338 0.515801 C -2.867229 0.535965 1.320413 C -2.449042 -0.446779 -0.894971 C -4.257345 0.443447 1.101325 C -3.837515 -0.535766 -1.106533 C -4.747989 -0.092496 -0.112732 H 1.425293 0.854771 2.042563 H 4.671137 -0.734894 -1.454451 H 3.918978 1.030815 2.453756 H 5.517794 0.226382 0.685164 H -2.458703 0.946638 2.249773 H -1.735942 -0.784591 -1.652901 H -4.955961 0.787189 1.871958 H -4.220129 -0.950595 -2.046308 H -5.827462 -0.165247 -0.286155 H 1.047925 -1.059723 -2.206067 H 2.673484 -1.354425 -2.844364