%chk=000151877.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000151877 0 1 N 2.908000 -0.3347000 -1.9999999E-04 N 1.272200 -1.838100 9.9999997E-05 N -1.552300 -1.101800 -1.9999999E-04 N -2.191200 1.626500 0.000000 C 1.744000 0.3893000 1.9999999E-04 C 0.7365000 -0.5690000 6.0000003E-04 C -0.6044000 -0.1393000 1.9999999E-04 C -0.9051000 1.233500 9.9999997E-05 C 1.490300 1.758600 -9.9999997E-05 C 0.1446000 2.151600 -9.9999997E-05 C 2.574200 -1.660100 -9.9999997E-05 C 4.251700 0.1935000 -3.0000001E-04 C -2.826600 -0.6732000 0.000000 C -3.139700 0.6657000 0.000000 C -3.902200 -1.702500 -1.9999999E-04 H 2.288100 2.492800 -3.9999999E-04 H -7.9599999E-02 3.217600 -3.0000001E-04 H 3.315000 -2.448100 -3.0000001E-04 H 4.969000 -0.6311000 -9.9999997E-05 H 4.384100 0.8004000 -0.8995000 H 4.384100 0.8009000 0.8985000 H -4.163300 1.021900 0.000000 H -3.479300 -2.712500 1.9999999E-04 H -4.528500 -1.599200 -0.8919000 H -4.529300 -1.598800 0.8909000 %chk=000151877-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000151877 0 1 N 2.992830 -0.331061 -0.000206 N 1.339255 -1.922988 -0.000215 N -1.639828 -1.174570 -0.000044 N -2.201982 1.648340 -0.000021 C 1.779088 0.368510 -0.000190 C 0.761426 -0.638584 -0.000161 C -0.617040 -0.243295 -0.000095 C -0.892973 1.187072 -0.000106 C 1.506950 1.766206 -0.000225 C 0.169526 2.157577 -0.000176 C 2.663105 -1.694633 -0.000194 C 4.335722 0.255616 -0.000128 C -2.909815 -0.700390 -0.000017 C -3.174614 0.715372 0.000020 C -4.039845 -1.703433 -0.000057 H 2.310763 2.510105 -0.000253 H -0.119779 3.212690 -0.000183 H 3.428562 -2.469098 -0.000209 H 5.083742 -0.553444 0.000185 H 4.493494 0.878067 -0.899084 H 4.493187 0.878465 0.898604 H -4.208344 1.081758 0.000113 H -3.621873 -2.721774 0.000433 H -4.685296 -1.581623 -0.890439 H -4.685963 -1.580986 0.889748