%chk=000141570.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000141570 0 1 O -2.693300 1.606300 1.2900000E-02 C -0.4106000 1.070900 -0.6536000 C 0.1269000 1.129300 0.8027000 C 0.4260000 3.9600000E-02 -1.453900 C -3.9500002E-02 -0.2668000 1.454600 C 0.2577000 -1.357300 -0.8006000 C 0.7942000 -1.298800 0.6527000 C -2.047600 -0.7291000 1.0000000E-03 C 2.432200 0.5009000 -7.9999998E-04 C -1.890700 0.6475000 -0.6683000 C -1.521200 -0.6747000 1.445300 C -1.227100 -1.757900 -0.7904000 C 1.612100 1.526100 0.7944000 C 1.907700 0.4460000 -1.442200 C 2.273300 -0.8821000 0.6462000 H -0.3141000 2.066700 -1.105100 H -0.4337000 1.875300 1.379200 H 7.4299999E-02 5.5000000E-03 -2.492600 H 0.3148000 -0.2340000 2.492500 H 0.8241000 -2.102500 -1.373000 H 0.7044000 -2.288000 1.119100 H -3.104800 -1.018100 2.0000000E-02 H 3.488700 0.7910000 -1.3000000E-03 H -2.256300 0.5983000 -1.701200 H -2.108400 3.5300002E-02 2.039900 H -1.639300 -1.655900 1.921600 H -1.342000 -2.753100 -0.3437000 H -1.602300 -1.826100 -1.818900 H 1.987100 1.588400 1.823400 H 1.729100 2.523400 0.3527000 H 2.029900 1.424400 -1.922900 H 2.495800 -0.2714000 -2.027600 H 2.867300 -1.623000 9.7300000E-02 H 2.659700 -0.8620000 1.672700 H -2.555500 2.464700 -0.4224000 %chk=000141570-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000141570 0 1 O -2.760707 1.600804 0.050266 C -0.406443 1.070096 -0.649344 C 0.137653 1.131883 0.809090 C 0.438912 0.038751 -1.459601 C -0.043113 -0.273055 1.459871 C 0.256174 -1.364479 -0.804000 C 0.804638 -1.305536 0.654743 C -2.065808 -0.730767 0.003318 C 2.460930 0.503614 -0.000596 C -1.897252 0.646815 -0.672509 C -1.541566 -0.669455 1.461234 C -1.239932 -1.770089 -0.801796 C 1.631778 1.543460 0.800020 C 1.933757 0.449529 -1.459626 C 2.299812 -0.894697 0.653760 H -0.304684 2.072226 -1.124161 H -0.455537 1.871812 1.382726 H 0.065196 -0.001827 -2.505315 H 0.332182 -0.234315 2.504143 H 0.841519 -2.109392 -1.383105 H 0.693816 -2.306672 1.122527 H -3.139377 -0.999069 -0.005073 H 3.529960 0.796147 -0.001610 H -2.232839 0.579163 -1.733630 H -2.130234 0.070194 2.034988 H -1.675181 -1.657613 1.946602 H -1.359302 -2.772050 -0.342843 H -1.616097 -1.842962 -1.842959 H 2.009470 1.611378 1.840565 H 1.746116 2.549573 0.345903 H 2.054904 1.438776 -1.946745 H 2.523069 -0.280575 -2.051166 H 2.898756 -1.644770 0.097614 H 2.686335 -0.872043 1.693077 H -2.658004 2.493944 -0.366667