%chk=000141026.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000141026 0 1 O 1.131700 0.3970000 -9.8000001E-03 O -0.1352000 -1.066900 -1.264800 C 2.267500 -0.4737000 -6.9999998E-04 C -2.541100 -4.1800000E-02 -0.2065000 C 3.489000 0.3012000 0.4981000 C -1.193600 0.5160000 0.2484000 C -3.698400 0.6271000 0.5338000 C 1.966300 -1.665800 0.8977000 C -3.5500001E-02 -0.1629000 -0.4467000 C 3.788000 1.522500 -0.3613000 C -5.038800 4.7400001E-02 0.1117000 H 2.462800 -0.8173000 -1.024500 H -2.656900 0.1052000 -1.287600 H -2.569000 -1.124800 -3.1399999E-02 H 3.316200 0.6447000 1.525500 H 4.367200 -0.3545000 0.5129000 H -1.075800 0.3663000 1.327600 H -1.145100 1.588400 2.8600000E-02 H -3.692700 1.705400 0.3364000 H -3.575700 0.4944000 1.615100 H 1.631700 -1.335700 1.887700 H 1.176100 -2.305000 0.4930000 H 2.855200 -2.292600 1.024600 H 2.965400 2.243800 -0.3328000 H 3.959000 1.235000 -1.403600 H 4.688300 2.027400 3.1000001E-03 H -5.207500 0.1899000 -0.9606000 H -5.088700 -1.024500 0.3281000 H -5.852500 0.5412000 0.6521000 %chk=000141026-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000141026 0 1 O 1.110981 0.026634 0.574143 O -0.121372 -1.415590 -0.788036 C 2.394263 -0.651205 0.158581 C -2.581524 0.018624 -0.165194 C 3.496236 0.404231 0.333131 C -1.272647 0.280077 0.605858 C -3.795048 0.715763 0.488981 C 2.589508 -1.904742 1.022883 C -0.079269 -0.472219 0.036581 C 3.339666 1.618180 -0.605230 C -5.109401 0.462933 -0.280354 H 2.278411 -0.935194 -0.905235 H -2.470702 0.366665 -1.210826 H -2.758826 -1.072005 -0.224040 H 3.502512 0.736638 1.389383 H 4.468367 -0.094994 0.148530 H -1.384916 -0.029387 1.665485 H -1.027216 1.358357 0.634585 H -3.606496 1.807328 0.550884 H -3.903694 0.359036 1.534017 H 2.647196 -1.634519 2.092519 H 1.758667 -2.615175 0.876582 H 3.529229 -2.415304 0.742453 H 2.378523 2.129323 -0.421745 H 3.364050 1.308041 -1.666957 H 4.152951 2.349519 -0.447827 H -5.038857 0.837118 -1.319039 H -5.337181 -0.618437 -0.329727 H -5.965511 0.967702 0.203716