%chk=000114586.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000114586 0 1 O 2.641900 -4.2599998E-02 0.7209000 O -2.788500 0.4393000 2.3700001E-02 O -1.502300 -1.074900 1.141300 C -0.6124000 8.2300000E-02 -0.7851000 C -0.1927000 1.550400 -0.6900000 C 0.9305000 1.626400 0.3489000 C 0.6419000 -0.6640000 -0.4639000 C 1.558100 0.2649000 0.2511000 C -1.650800 -0.2659000 0.2374000 C 0.9743000 -1.916000 -0.7842000 H -0.9926000 -0.1689000 -1.780900 H -1.010000 2.231400 -0.4315000 H 0.2012000 1.875000 -1.662700 H 0.5352000 1.767900 1.359000 H 1.649100 2.411300 0.1019000 H 0.2827000 -2.548900 -1.330100 H 1.935100 -2.339600 -0.5127000 H -3.481800 0.2249000 0.6836000 %chk=000114586-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000114586 0 1 O 2.766854 -0.273697 0.463699 O -2.554491 -1.006020 -0.130573 O -1.906550 0.657272 1.357462 C -0.655530 0.335144 -0.768534 C -0.050388 1.765015 -0.613910 C 1.128789 1.607030 0.377939 C 0.538510 -0.603341 -0.530241 C 1.638130 0.181098 0.145920 C -1.736586 0.059879 0.273200 C 0.645269 -1.917738 -0.846891 H -1.102158 0.160566 -1.761299 H -0.799810 2.492242 -0.262644 H 0.323766 2.098753 -1.598390 H 0.762947 1.673066 1.421864 H 1.936854 2.346422 0.256809 H -0.171061 -2.475821 -1.317760 H 1.578250 -2.448796 -0.621314 H -3.223896 -1.198073 0.581363