%chk=000062088.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000062088 0 1 O 2.443800 1.712400 -0.4051000 O 3.648700 -0.1844000 0.4653000 N -4.106200 0.2284000 0.2255000 C -1.856300 -0.7138000 -0.3929000 C -0.3875000 -0.6075000 -0.1517000 C -2.670400 0.2749000 0.4859000 C -2.221800 -0.5534000 -1.885500 C 0.2765000 0.5892000 -0.4317000 C 0.3156000 -1.714200 0.3560000 C 1.634500 0.6391000 -0.1925000 C 2.322600 -0.4440000 0.3044000 C 1.690700 -1.637000 0.5894000 C 3.718300 1.183600 1.4300000E-02 C -4.808400 1.226700 1.018300 H -2.183600 -1.725400 -0.1125000 H -2.474200 5.2499998E-02 1.543300 H -2.315500 1.297300 0.3048000 H -3.269300 -0.8121000 -2.071100 H -1.608000 -1.216200 -2.506100 H -2.059500 0.4728000 -2.232800 H -0.2411000 1.455700 -0.8282000 H -0.2012000 -2.645600 0.5741000 H 2.236600 -2.488100 0.9805000 H -4.462600 -0.7001000 0.4496000 H 4.103500 1.803500 0.8321000 H 4.416300 1.240100 -0.8289000 H -4.669500 1.059300 2.091400 H -5.880700 1.171400 0.8061000 H -4.477000 2.239500 0.7673000 %chk=000062088-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000062088 0 1 O 2.597685 1.668797 -0.499879 O 3.757898 -0.227073 0.405651 N -4.130254 0.129813 0.376915 C -1.907538 -0.687322 -0.437267 C -0.399510 -0.608994 -0.191871 C -2.669932 0.339800 0.448784 C -2.273753 -0.515007 -1.933202 C 0.315379 0.590062 -0.499300 C 0.299902 -1.719049 0.344917 C 1.686074 0.608870 -0.245034 C 2.369186 -0.504661 0.289103 C 1.701746 -1.691264 0.592663 C 3.887535 1.219154 0.087234 C -4.933268 1.152662 1.072468 H -2.241481 -1.699217 -0.121921 H -2.272165 0.283507 1.493575 H -2.458745 1.365767 0.085055 H -3.370980 -0.525794 -2.050067 H -1.830683 -1.320774 -2.545620 H -1.900920 0.450123 -2.324542 H -0.186823 1.464431 -0.923185 H -0.256617 -2.634218 0.577080 H 2.231621 -2.556415 0.999170 H -4.383297 -0.823293 0.672315 H 4.072185 1.779939 1.023369 H 4.686463 1.351889 -0.658731 H -4.680226 1.283864 2.153708 H -6.005489 0.897320 0.999530 H -4.789696 2.131684 0.578381