%chk=000178030.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000178030 0 1 N -2.852500 -0.9615000 -0.3112000 N 2.611300 -4.4399999E-02 0.2736000 N 1.412400 -0.6418000 0.3239000 N 1.317200 1.586200 -6.8999998E-02 N 2.603000 1.275700 4.2500000E-02 C -3.626600 0.1630000 0.2271000 C -1.466300 -0.9253000 0.1971000 C -3.035300 1.493100 -0.2550000 C -0.8018000 0.4285000 3.7999999E-02 C -1.537100 1.532100 -0.1877000 C -3.487400 -2.237200 1.6700000E-02 C 0.6376000 0.4198000 0.1040000 C 3.837100 -0.7775000 0.4556000 C 4.388300 -1.310600 -0.8556000 H -3.641100 0.1356000 1.325300 H -4.668900 0.1094000 -0.1105000 H -0.9022000 -1.681300 -0.3640000 H -1.435400 -1.205100 1.259400 H -3.446800 2.307500 0.3522000 H -3.336200 1.678600 -1.293400 H -1.069800 2.501700 -0.3342000 H -3.565300 -2.395600 1.098400 H -2.922000 -3.070500 -0.4148000 H -4.494600 -2.285900 -0.4119000 H 4.561300 -0.1081000 0.9324000 H 3.636300 -1.600600 1.150100 H 3.674300 -1.987100 -1.337400 H 5.317700 -1.861500 -0.6816000 H 4.599300 -0.4950000 -1.555300 %chk=000178030-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000178030 0 1 N -2.847443 -0.950346 -0.306757 N 2.691747 0.065675 0.321823 N 1.453181 -0.519768 0.266239 N 1.352078 1.772218 0.075419 N 2.660460 1.456222 0.205252 C -3.628000 0.155224 0.291928 C -1.426287 -0.923776 0.097536 C -3.108128 1.509783 -0.231297 C -0.828164 0.470227 0.005718 C -1.601802 1.581642 -0.162642 C -3.451210 -2.275927 -0.089083 C 0.627022 0.570113 0.111657 C 3.943357 -0.694414 0.453967 C 4.246316 -1.538287 -0.798270 H -3.572677 0.144364 1.412205 H -4.689711 0.022652 0.014114 H -0.857747 -1.611711 -0.557031 H -1.278926 -1.304878 1.144532 H -3.553949 2.339461 0.353227 H -3.436430 1.652438 -1.281212 H -1.114924 2.561695 -0.242543 H -3.496891 -2.573344 0.990209 H -2.865234 -3.043903 -0.626135 H -4.479596 -2.288054 -0.492056 H 4.730201 0.055944 0.633955 H 3.857370 -1.336966 1.347384 H 3.435520 -2.262120 -0.985446 H 5.187759 -2.096009 -0.649533 H 4.358608 -0.895955 -1.688460