%chk=000113205.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113205 0 1 O 0.3980000 -4.8700001E-02 -0.5491000 O 0.6668000 -2.630600 -1.094500 O 0.7549000 -3.2699998E-02 1.754100 C -1.858900 0.6965000 -0.1697000 C -3.215100 0.3692000 6.8300001E-02 C -0.9189000 -0.3364000 -0.3175000 C -1.310300 -1.672800 -0.2317000 C -3.591200 -0.9812000 0.1516000 C -2.644000 -1.994500 2.4000001E-03 C -1.482600 2.047000 -0.2530000 C -4.155000 1.402200 0.2160000 C -2.429900 3.060300 -0.1037000 C -0.3423000 -2.750700 -0.3846000 C -3.763500 2.738500 0.1304000 C 1.162600 8.8900000E-02 0.6086000 C 2.576800 0.3997000 0.2779000 C -0.5531000 -4.070100 0.3353000 C 3.571200 -3.2499999E-02 1.130900 C 2.851600 1.110400 -0.8722000 C 4.899400 0.2591000 0.8203000 C 4.179900 1.402000 -1.182900 C 5.203700 0.9763000 -0.3365000 H -4.628800 -1.255600 0.3307000 H -2.982500 -3.025300 5.9599999E-02 H -0.4516000 2.338100 -0.4396000 H -5.202900 1.174000 0.3995000 H -2.126200 4.101000 -0.1715000 H -4.500400 3.527900 0.2462000 H -1.043200 -3.914400 1.300200 H -1.147600 -4.740100 -0.2905000 H 0.4205000 -4.528200 0.5352000 H 3.346800 -0.5948000 2.032500 H 2.071800 1.464200 -1.539800 H 5.696700 -7.2999999E-02 1.478800 H 4.417000 1.963000 -2.082100 H 6.237800 1.203700 -0.5781000 %chk=000113205-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000113205 0 1 O 0.381829 0.246790 -0.191970 O 1.008523 -2.427609 -0.217361 O 1.050839 -0.401584 1.963618 C -1.950073 0.802647 -0.000723 C -3.339391 0.409625 0.087121 C -0.940430 -0.219173 -0.033556 C -1.261838 -1.595479 0.007919 C -3.660683 -0.986167 0.148772 C -2.656154 -1.945620 0.109287 C -1.616829 2.196632 -0.045755 C -4.347377 1.426593 0.120847 C -2.622623 3.164779 -0.009471 C -0.229213 -2.678986 -0.105205 C -3.998136 2.778378 0.072826 C 1.365803 -0.025699 0.820172 C 2.726882 0.314872 0.334215 C -0.696210 -4.134004 -0.099988 C 3.788989 0.296365 1.275513 C 2.984952 0.644911 -1.020840 C 5.099502 0.612161 0.864963 C 4.298490 0.959552 -1.426898 C 5.356337 0.945890 -0.486679 H -4.711006 -1.288285 0.227345 H -2.929527 -3.003136 0.155137 H -0.563730 2.483578 -0.111520 H -5.399492 1.126241 0.187465 H -2.361087 4.227760 -0.042878 H -4.776133 3.549111 0.100189 H -1.206105 -4.386307 0.848470 H -1.400000 -4.342382 -0.926706 H 0.188818 -4.778311 -0.210571 H 3.567254 0.028859 2.313941 H 2.160236 0.640375 -1.737914 H 5.918789 0.597444 1.591678 H 4.500497 1.210320 -2.473854 H 6.375795 1.190260 -0.806088