%chk=000107319.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107319 0 1 O 2.381200 -0.2466000 0.7618000 O -1.024100 -0.4284000 -2.5800001E-02 O 0.2452000 1.501600 -3.5999999E-03 C 1.303200 -0.6603000 -6.6200003E-02 C 2.595300 -0.2254000 -0.6554000 C 0.1391000 0.2829000 -2.8400000E-02 C -2.222600 0.3528000 9.6000005E-03 C -3.417400 -0.5767000 8.0000004E-03 H 1.073600 -1.719500 -9.1300003E-02 H 3.249100 -0.9812000 -1.071500 H 2.660400 0.7408000 -1.138400 H -2.232000 0.9662000 0.9175000 H -2.259600 1.004900 -0.8702000 H -4.352900 -1.1000000E-02 3.4699999E-02 H -3.412200 -1.209500 -0.8857000 H -3.385000 -1.247600 0.8727000 %chk=000107319-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107319 0 1 O 2.439366 -0.374313 0.842202 O -1.033810 -0.443898 -0.034545 O 0.241407 1.513757 -0.139137 C 1.320086 -0.694721 -0.125816 C 2.647857 -0.209536 -0.635211 C 0.162782 0.265531 -0.099346 C -2.284805 0.382082 -0.004762 C -3.455261 -0.592792 0.047476 H 1.058486 -1.756124 -0.178832 H 3.331679 -0.932626 -1.095294 H 2.720726 0.833284 -0.965379 H -2.236661 1.040257 0.881176 H -2.297848 1.018472 -0.908060 H -4.406694 -0.031158 0.074246 H -3.464516 -1.248578 -0.839816 H -3.401495 -1.226634 0.948897