%chk=000054022.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000054022 0 1 Cl -2.474000 2.433000 0.3792000 O 0.6176000 0.7931000 -1.600400 N 3.041000 0.4055000 -9.7999997E-02 N -0.2472000 0.3906000 0.5440000 C 1.973300 1.313100 0.3240000 C 2.337600 2.749100 -7.4100003E-02 C 2.733200 -0.9633000 0.2849000 C 0.7076000 0.8158000 -0.3758000 C 3.821600 -1.942900 -0.1371000 C 1.232800 3.740100 0.2718000 C -1.534900 -0.1306000 0.2723000 C 3.497100 -3.381200 0.2405000 C -1.681600 -1.500100 0.1050000 C -2.623900 0.7232000 0.1772000 C -2.944900 -2.027000 -0.1634000 C -0.5203000 -2.436200 0.2023000 C -3.887300 0.1964000 -9.1100000E-02 C -4.047700 -1.178700 -0.2613000 H 1.865600 1.273200 1.415100 H 3.258600 3.051400 0.4399000 H 2.536200 2.813600 -1.151500 H 3.923400 0.6917000 0.3252000 H 1.832400 -1.303800 -0.2201000 H 2.577100 -1.037400 1.367900 H 3.971600 -1.887600 -1.222500 H 4.773300 -1.662200 0.3305000 H 0.9589000 3.673200 1.329300 H 1.571200 4.762100 7.2999999E-02 H 0.3388000 3.566100 -0.3331000 H -0.1163000 0.6684000 1.514100 H 2.574500 -3.714800 -0.2449000 H 4.306600 -4.047800 -7.2800003E-02 H 3.371900 -3.482400 1.323200 H -3.086700 -3.095700 -0.3012000 H 0.1218000 -2.189600 1.053100 H -0.8565000 -3.466600 0.3662000 H 4.9899999E-02 -2.423000 -0.7306000 H -4.757200 0.8434000 -0.1710000 H -5.031400 -1.588800 -0.4709000 %chk=000054022-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000054022 0 1 Cl -2.343187 2.011902 2.028365 O 0.422845 0.393794 -1.634239 N 3.041594 0.192643 -0.079763 N -0.355775 0.264022 0.576441 C 1.934236 1.119527 0.189484 C 2.222293 2.493419 -0.465352 C 3.033973 -1.091018 0.643265 C 0.611063 0.550759 -0.397778 C 4.270994 -1.935637 0.279617 C 1.177501 3.573137 -0.116204 C -1.703899 -0.139941 0.338335 C 4.302583 -3.288517 1.021548 C -2.032115 -1.282154 -0.456907 C -2.760308 0.579257 0.957230 C -3.401664 -1.602167 -0.638579 C -0.958594 -2.165772 -1.053761 C -4.113384 0.247272 0.793885 C -4.432393 -0.853602 -0.032511 H 1.784356 1.280059 1.293975 H 3.227658 2.829597 -0.137078 H 2.263757 2.336728 -1.558607 H 3.954659 0.662627 -0.051753 H 2.120413 -1.650874 0.358634 H 2.991561 -0.958630 1.756743 H 4.274991 -2.095576 -0.814956 H 5.189817 -1.360363 0.520662 H 1.113379 3.741003 0.975634 H 1.442788 4.535344 -0.589369 H 0.172160 3.292038 -0.477814 H -0.150579 0.610973 1.518970 H 3.409861 -3.895029 0.778645 H 5.194704 -3.876767 0.740774 H 4.323809 -3.144694 2.118412 H -3.656114 -2.471528 -1.254816 H -0.162836 -2.378180 -0.315096 H -1.385943 -3.124704 -1.391954 H -0.468332 -1.662621 -1.906229 H -4.891401 0.835826 1.287289 H -5.480774 -1.128855 -0.186240