%chk=000114493.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000114493 0 1 O 2.544400 1.118400 0.3460000 C -0.5474000 -0.9047000 -0.6172000 C -1.758300 0.8661000 -1.9400001E-02 C 0.5041000 0.2284000 -0.5570000 C -1.758000 -0.1435000 -1.167100 C -0.3300000 1.438900 -8.9000002E-02 C -1.052900 -1.288200 0.7840000 C -1.860100 -5.3500000E-02 1.209900 C 1.720600 -4.3299999E-02 0.3131000 C 2.537500 -1.218500 -0.2031000 H -0.2386000 -1.760900 -1.220900 H -2.537500 1.629600 -6.0100000E-02 H 0.8472000 0.4491000 -1.578500 H -2.668800 -0.7505000 -1.209500 H -1.576500 0.3136000 -2.145600 H -0.2757000 2.240400 -0.8350000 H -8.0000004E-03 1.849700 0.8735000 H -0.2623000 -1.539600 1.494100 H -1.718300 -2.157800 0.7203000 H -2.901600 -0.3330000 1.404400 H -1.455800 0.4098000 2.115400 H 1.435500 -0.2329000 1.351600 H 3.447200 -1.339600 0.3952000 H 1.973600 -2.154800 -0.1631000 H 2.864100 -1.048800 -1.235000 H 2.834700 1.305300 -0.5631000 %chk=000114493-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000114493 0 1 O 2.622750 1.168370 0.325251 C -0.555614 -0.909872 -0.669215 C -1.800353 0.885947 -0.003469 C 0.504499 0.242463 -0.579171 C -1.797488 -0.125325 -1.187856 C -0.357865 1.467296 -0.087162 C -1.038755 -1.320843 0.756014 C -1.874970 -0.071399 1.225466 C 1.747329 -0.032218 0.292340 C 2.549922 -1.268608 -0.150509 H -0.229058 -1.761410 -1.289668 H -2.594034 1.651356 -0.019355 H 0.869778 0.437093 -1.612680 H -2.711304 -0.745359 -1.238643 H -1.631034 0.354876 -2.169717 H -0.307216 2.308065 -0.802357 H 0.000987 1.846997 0.886205 H -0.208543 -1.561432 1.442897 H -1.675447 -2.222331 0.689746 H -2.920844 -0.351384 1.449000 H -1.455731 0.401653 2.132158 H 1.450327 -0.135429 1.351262 H 3.473131 -1.353491 0.448495 H 1.962624 -2.195895 -0.020076 H 2.832068 -1.195648 -1.219413 H 2.903943 1.366228 -0.605643