%chk=000116723.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000116723 0 1 O -0.5449000 0.7218000 0.2020000 O 0.9777000 -0.2954000 -1.200000 C 4.956200 -0.8184000 -0.1436000 C 3.781300 -0.1367000 0.6174000 C 3.157800 1.127800 -2.8800000E-02 C -2.956600 0.3746000 0.2087000 C 1.707000 1.330600 0.4566000 C 6.196100 8.0899999E-02 -0.2386000 C 4.524000 -1.230300 -1.562200 C 5.343900 -2.096900 0.6287000 C -4.103600 -0.2308000 -0.6277000 C 3.960600 2.385900 0.3300000 C -1.608800 4.9000001E-03 -0.4323000 C -3.011600 1.5500000E-02 1.710600 C -5.497400 0.2008000 -0.1602000 C 0.7058000 0.4722000 -0.2872000 C -6.628400 -0.4187000 -0.9857000 C -2.943500 -1.473100 2.022900 C -8.015600 -1.4700000E-02 -0.5105000 H 4.100000 0.1003000 1.641700 H 2.988700 -0.8902000 0.7264000 H 3.148200 1.041200 -1.119200 H -3.045900 1.469000 0.1573000 H 1.629300 1.116300 1.528800 H 1.400200 2.370300 0.2880000 H 7.074200 -0.4960000 -0.5531000 H 6.434600 0.5376000 0.7277000 H 6.070100 0.8704000 -0.9847000 H 5.297400 -1.839500 -2.045000 H 3.603800 -1.824500 -1.538600 H 4.352900 -0.3659000 -2.210900 H 6.161400 -2.632100 0.1323000 H 4.496000 -2.787200 0.7049000 H 5.673100 -1.857200 1.646100 H -4.036000 -1.325300 -0.6231000 H -3.983100 7.8299999E-02 -1.674200 H 3.470100 3.281700 -6.8099998E-02 H 4.967500 2.382200 -8.4200002E-02 H 4.040300 2.507800 1.415800 H -1.621700 0.2832000 -1.493600 H -1.421800 -1.072600 -0.3631000 H -2.181900 0.5133000 2.228200 H -3.921900 0.4300000 2.158000 H -5.647800 -8.9699998E-02 0.8851000 H -5.572600 1.294200 -0.2030000 H -6.513900 -0.1252000 -2.035900 H -6.547800 -1.511600 -0.9501000 H -2.012700 -1.920300 1.663300 H -3.785000 -2.016200 1.583900 H -2.983600 -1.625800 3.106600 H -8.180200 -0.3284000 0.5252000 H -8.145900 1.070700 -0.5655000 H -8.783000 -0.4828000 -1.134800 %chk=000116723-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000116723 0 1 O -0.211769 1.657911 -0.432717 O 1.106610 1.320808 -2.327030 C 3.547445 -1.030597 0.476629 C 2.980813 0.382734 0.840883 C 3.304458 1.551220 -0.142702 C -2.376279 0.574295 -0.039941 C 2.059729 2.466700 -0.361438 C 5.082947 -0.990691 0.254598 C 2.852348 -1.573847 -0.800901 C 3.234881 -1.986311 1.660618 C -3.679039 0.097728 -0.742729 C 4.489136 2.416852 0.349930 C -1.357193 0.981577 -1.115535 C -1.786282 -0.455578 0.965209 C -4.829477 -0.260045 0.224848 C 0.976915 1.767740 -1.162241 C -6.147326 -0.596017 -0.510655 C -1.455239 -1.845846 0.375604 C -7.295018 -0.970158 0.451780 H 3.349599 0.659575 1.850987 H 1.880237 0.274906 0.938716 H 3.566760 1.131719 -1.134197 H -2.623458 1.489751 0.538688 H 1.649848 2.802733 0.606520 H 2.370573 3.360620 -0.936439 H 5.468944 -2.008201 0.053964 H 5.606854 -0.600304 1.148070 H 5.354737 -0.355136 -0.608278 H 3.260282 -2.565787 -1.073236 H 1.763771 -1.688416 -0.635286 H 2.987938 -0.901782 -1.667554 H 3.572990 -3.015982 1.437449 H 2.146705 -2.022956 1.862453 H 3.742013 -1.654146 2.586683 H -3.461563 -0.777287 -1.389688 H -4.028247 0.902571 -1.423736 H 4.756519 3.192545 -0.392485 H 5.385039 1.799053 0.532950 H 4.234153 2.927855 1.298614 H -1.791549 1.702808 -1.833125 H -0.967882 0.119955 -1.687620 H -0.870261 -0.016436 1.405602 H -2.501012 -0.579771 1.801618 H -4.539470 -1.124751 0.855178 H -5.004616 0.588229 0.919725 H -6.450317 0.272355 -1.130814 H -5.967036 -1.432883 -1.216273 H -0.719038 -1.782023 -0.447273 H -2.356405 -2.351197 -0.017685 H -1.020991 -2.500350 1.153656 H -7.028833 -1.854271 1.061566 H -7.516557 -0.138713 1.147511 H -8.224387 -1.206755 -0.098172