%chk=000041092.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000041092 0 1 O 1.782200 -1.567700 -0.4624000 C -0.2261000 1.325000 0.1263000 C 1.179600 0.7542000 -0.1348000 C -1.119700 0.1068000 0.2036000 C -0.4960000 -1.060500 -6.0999999E-03 C 0.9233000 -0.7274000 -0.2340000 C -0.6458000 2.285000 -0.9868000 C 2.155100 1.052900 0.9939000 C -2.567400 0.2910000 0.5270000 C -0.9852000 -2.459200 -2.6799999E-02 H -0.2571000 1.862400 1.082400 H 1.588300 1.101100 -1.090900 H 6.8300001E-02 3.111300 -1.070300 H -0.6959000 1.780800 -1.958500 H -1.630000 2.719700 -0.7827000 H 1.802700 0.6470000 1.948900 H 3.132900 0.6033000 0.7899000 H 2.295300 2.132400 1.109800 H -2.677200 0.8962000 1.432900 H -3.082700 -0.6562000 0.7066000 H -3.083200 0.7989000 -0.2935000 H -2.067300 -2.526800 0.1110000 H -0.5094000 -3.040300 0.7695000 H -0.7465000 -2.931100 -0.9854000 %chk=000041092-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000041092 0 1 O 1.875792 -1.702324 -0.123986 C -0.241692 1.290794 0.171693 C 1.170111 0.693790 -0.101771 C -1.181396 0.076803 0.165874 C -0.498631 -1.111866 0.039802 C 0.957467 -0.834120 -0.070200 C -0.649738 2.405183 -0.823133 C 2.286821 1.151263 0.860457 C -2.666093 0.258145 0.327326 C -1.016926 -2.524716 0.027961 H -0.256294 1.729923 1.193417 H 1.476329 0.949705 -1.137809 H 0.087515 3.228279 -0.799310 H -0.691657 2.015196 -1.857286 H -1.637856 2.835153 -0.577063 H 2.011401 0.946255 1.911455 H 3.220490 0.603613 0.642857 H 2.481709 2.234653 0.759514 H -2.894734 0.828063 1.249829 H -3.205896 -0.701833 0.371965 H -3.086714 0.844834 -0.512394 H -2.060307 -2.599707 0.377586 H -0.378102 -3.163922 0.663498 H -0.963399 -2.954364 -0.990681