%chk=000107243.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107243 0 1 O -0.4728000 0.9901000 0.1614000 O 2.017200 -9.2799999E-02 1.215600 C 1.446800 -0.4380000 -6.0800001E-02 C -1.2900000E-02 -0.2716000 -4.5299999E-02 C 2.153400 0.4192000 -1.128100 C -1.061100 -1.148700 -0.2001000 C -2.241000 -0.3762000 -8.0899999E-02 C -1.829700 0.9179000 0.1381000 H 1.700800 -1.488100 -0.2464000 H 2.006900 1.488000 -0.9349000 H 1.777500 0.1924000 -2.130800 H 3.233400 0.2387000 -1.104700 H -0.9870000 -2.212300 -0.3766000 H -3.263200 -0.7196000 -0.1464000 H -2.349900 1.852200 0.2896000 H 1.634300 -0.6953000 1.876300 %chk=000107243-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000107243 0 1 O -0.494101 1.036912 0.064909 O 2.126997 -0.227516 1.193757 C 1.486984 -0.477706 -0.124986 C 0.000208 -0.281427 -0.077987 C 2.209445 0.454435 -1.107233 C -1.072019 -1.161469 -0.138582 C -2.286256 -0.378508 -0.029765 C -1.895745 0.943886 0.092431 H 1.655767 -1.536278 -0.418347 H 2.010859 1.506522 -0.845808 H 1.869436 0.271893 -2.141586 H 3.296306 0.275254 -1.049358 H -1.002548 -2.242190 -0.251537 H -3.308912 -0.749908 -0.042822 H -2.426976 1.885079 0.203365 H 1.583257 -0.663079 1.899550