%chk=000112970.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112970 0 1 O -2.280800 2.754500 1.199600 C 1.995900 -0.1134000 1.068600 C 2.274600 -1.622200 1.072200 C 2.447200 0.5886000 -0.2145000 C 1.532500 -2.440400 9.3999999E-03 C 2.247000 2.106300 -0.1759000 C -2.813700 -0.4102000 -0.7573000 C -2.275700 -1.840100 -0.6386000 C 3.9999999E-02 -2.384700 0.1584000 C -2.292200 0.5203000 0.3385000 C -0.7842000 -1.915300 -0.7900000 C 2.722200 2.816400 -1.434000 C -2.812900 1.940200 0.1636000 H 2.529400 0.3311000 1.918300 H 0.9315000 7.5000003E-02 1.243500 H 3.352500 -1.784100 0.9455000 H 2.021200 -2.015100 2.065500 H 1.893800 0.1876000 -1.071200 H 3.508000 0.3716000 -0.3906000 H 1.842600 -2.122900 -0.9926000 H 1.839700 -3.489400 0.1030000 H 1.183500 2.326800 -2.4300000E-02 H 2.783300 2.521100 0.6859000 H -2.550200 -2.0000001E-03 -1.741400 H -3.909300 -0.4432000 -0.7129000 H -2.594300 -2.269200 0.3193000 H -2.730900 -2.455400 -1.424000 H -0.3736000 -2.745600 1.096800 H -1.197400 0.5499000 0.3308000 H -2.577800 0.1415000 1.327500 H -0.3694000 -1.559100 -1.729800 H 2.553800 3.894400 -1.349300 H 2.181000 2.454200 -2.313700 H 3.791800 2.649400 -1.595700 H -3.904500 1.969500 0.2331000 H -2.514400 2.363200 -0.8008000 H -1.312400 2.749000 1.109800 %chk=000112970-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000112970 0 1 O -1.864290 3.182777 0.417458 C 2.173984 -0.343309 1.186060 C 2.504408 -1.839274 0.962606 C 2.300152 0.542891 -0.073498 C 1.612369 -2.554116 -0.094701 C 2.059997 2.040932 0.226923 C -2.790543 -0.395527 -0.767763 C -2.283915 -1.824872 -0.421691 C 0.129928 -2.422340 0.192047 C -2.117516 0.710335 0.076349 C -0.803828 -1.996971 -0.698860 C 2.061413 2.925359 -1.039013 C -2.535829 2.125847 -0.358835 H 2.842312 0.054895 1.977451 H 1.139602 -0.255524 1.577763 H 3.565468 -1.943660 0.656700 H 2.403364 -2.372455 1.930348 H 1.569926 0.206773 -0.837314 H 3.307237 0.416743 -0.523703 H 1.828020 -2.161208 -1.107022 H 1.897675 -3.627314 -0.108699 H 1.091486 2.145735 0.762642 H 2.833700 2.401016 0.934790 H -2.602928 -0.201475 -1.845278 H -3.889699 -0.354853 -0.628748 H -2.495352 -2.050811 0.642191 H -2.865017 -2.553357 -1.025275 H -0.191825 -2.686080 1.213432 H -1.015895 0.609239 -0.012971 H -2.362500 0.574101 1.147875 H -0.476250 -1.732389 -1.719040 H 1.900994 3.991653 -0.794144 H 1.266394 2.614278 -1.743996 H 3.026488 2.844853 -1.573354 H -3.610491 2.295124 -0.173091 H -2.347970 2.259648 -1.447559 H -0.883266 3.071635 0.322617