%chk=000109225.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109225 0 1 O 0.9992000 0.3394000 9.8999999E-02 O -0.2907000 -5.4099999E-02 -1.852800 O -2.597700 -1.7800000E-02 -0.2784000 O -3.734100 1.518200 1.020200 C -0.1831000 -0.2769000 -0.4435000 C -0.2237000 -1.789200 -0.1273000 C -1.355300 0.4887000 0.1891000 C 2.233600 -0.1751000 -0.3780000 C 3.372700 0.5810000 0.2910000 C 4.734800 8.8299997E-02 -0.1894000 C -0.1641000 -2.127000 1.357600 C 5.868600 0.8749000 0.4486000 C -3.715700 0.5919000 0.2209000 C -4.944500 -4.2300001E-02 -0.3571000 H 0.5894000 -2.311100 -0.6444000 H -1.137900 -2.222500 -0.5535000 H -1.284100 1.548000 -9.3099996E-02 H -1.311000 0.4418000 1.283900 H 2.334600 -1.235900 -0.1326000 H 2.289900 -5.3500000E-02 -1.465000 H 3.291900 0.4739000 1.380000 H 3.263600 1.653500 8.6499996E-02 H 4.802600 0.1834000 -1.279400 H 4.852700 -0.9746000 5.1500000E-02 H -0.1250000 -3.213200 1.489800 H -1.050300 -1.765400 1.887000 H 0.7238000 -1.700200 1.833000 H 0.1651000 -0.7809000 -2.309400 H 5.798700 1.938100 0.1975000 H 5.848800 0.7770000 1.538800 H 6.834600 0.5044000 9.1700003E-02 H -4.977100 -1.100600 -8.6400002E-02 H -4.947000 7.7900000E-02 -1.443400 H -5.832500 0.4493000 5.0299998E-02 %chk=000109225-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109225 0 1 O 1.010599 0.148546 0.357160 O -0.374530 -0.003457 -1.627577 O -2.635355 -0.106008 0.265691 O -3.485718 2.018004 -0.230130 C -0.242253 -0.369269 -0.215900 C -0.372483 -1.903215 -0.047889 C -1.293927 0.463318 0.531355 C 2.245255 -0.181891 -0.375648 C 3.399049 0.520646 0.348000 C 4.762582 0.271371 -0.337794 C -0.219912 -2.386453 1.408002 C 5.925997 0.976983 0.391909 C -3.642497 0.782212 -0.149907 C -4.902828 0.010831 -0.478493 H 0.395961 -2.391466 -0.684275 H -1.361719 -2.197341 -0.443866 H -1.251038 1.506850 0.179732 H -1.113343 0.418853 1.616521 H 2.410039 -1.282276 -0.387221 H 2.162794 0.179416 -1.421090 H 3.434617 0.169632 1.397662 H 3.185238 1.606078 0.381022 H 4.716922 0.624423 -1.388213 H 4.961992 -0.819158 -0.382061 H -0.227437 -3.490097 1.454678 H -1.050937 -2.018802 2.035383 H 0.726032 -2.022775 1.845709 H -0.076274 -0.756195 -2.198401 H 5.767309 2.071155 0.423044 H 6.012431 0.621360 1.435795 H 6.891978 0.788879 -0.111325 H -5.118932 -0.733383 0.305429 H -4.762994 -0.535849 -1.428340 H -5.745820 0.708476 -0.586262