%chk=000112214.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112214 0 1 O -0.2037000 0.5264000 0.8597000 O -2.219800 1.050100 -0.1022000 O 1.950300 1.166400 -0.5837000 C 4.1800000E-02 -1.640900 3.3399999E-02 C 0.7876000 -0.4993000 0.6917000 C -1.020000 -0.9404000 -0.7827000 C -1.255500 0.3094000 1.0900000E-02 C 1.919300 2.8400000E-02 -0.1271000 H -0.4428000 -2.253700 0.8039000 H 0.6751000 -2.296900 -0.5710000 H 1.177200 -0.7858000 1.673300 H -1.930500 -1.539400 -0.8548000 H -0.6554000 -0.6685000 -1.777300 H 2.755100 -0.6713000 -0.2986000 %chk=000112214-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000112214 0 1 O -0.237673 0.524555 0.964597 O -2.260062 1.123330 -0.022146 O 1.829610 0.949696 -0.955367 C 0.055859 -1.675507 0.011147 C 0.794153 -0.505013 0.745889 C -1.022855 -0.919437 -0.794612 C -1.303759 0.344732 0.028078 C 1.934364 0.015165 -0.134189 H -0.406850 -2.341604 0.758934 H 0.732876 -2.278018 -0.617466 H 1.185852 -0.801301 1.733249 H -1.954425 -1.486928 -0.940129 H -0.657116 -0.603337 -1.788401 H 2.888725 -0.561833 -0.014083