%chk=000107497.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107497 0 1 O -4.520200 0.7350000 -0.1846000 O 6.393000 0.1002000 0.7909000 O -5.999900 -0.2678000 1.279000 C 0.8888000 0.3191000 9.7599998E-02 C 0.1292000 -0.9948000 -0.2840000 C -1.295900 -0.9113000 0.2752000 C 2.394500 0.3066000 -0.3788000 C -2.086700 0.2856000 -0.2883000 C 3.065700 -0.9883000 0.1955000 C 9.7000003E-02 1.584200 -0.3325000 C -1.369900 1.574000 0.1361000 C 0.8653000 -2.231900 0.2444000 C -3.439500 4.0800001E-02 0.4078000 C -2.245400 -2.089800 7.7500001E-02 C 3.203700 1.561400 0.1385000 C 2.322300 -2.270100 -0.2046000 C -3.642500 -1.483800 0.3043000 C 2.449400 0.3177000 -1.934800 C 4.553100 -1.105600 -0.1531000 C -2.265400 0.2763000 -1.828000 C 4.700600 1.466400 -0.2103000 C 5.297500 0.1505000 0.2322000 C 3.063800 1.846300 1.644900 C -5.758700 0.4896000 0.3487000 C -6.800000 1.289600 -0.3737000 H 0.9040000 0.3343000 1.197100 H 7.3500000E-02 -1.089800 -1.372900 H -1.199600 -0.7813000 1.366500 H 3.006300 -0.9325000 1.291800 H 0.1208000 1.697100 -1.420500 H 0.5699000 2.483300 7.6300003E-02 H -1.386200 1.672200 1.229300 H -1.890000 2.454300 -0.2603000 H 0.3656000 -3.144200 -0.1015000 H 0.8268000 -2.248500 1.341200 H -3.369700 0.3330000 1.465100 H -2.043800 -2.902300 0.7830000 H -2.167400 -2.502400 -0.9346000 H 2.821800 2.453300 -0.3764000 H 2.807900 -3.138600 0.2574000 H 2.375100 -2.428300 -1.288000 H -4.317300 -1.769000 -0.5108000 H -4.067500 -1.880600 1.233100 H 3.463000 0.1827000 -2.321100 H 1.844400 -0.4722000 -2.385800 H 2.090800 1.271100 -2.336800 H 4.716000 -1.293600 -1.219000 H 4.994400 -1.945400 0.3971000 H -1.313700 0.2862000 -2.365500 H -2.818700 -0.6003000 -2.179400 H -2.824800 1.160600 -2.155300 H 5.257400 2.282100 0.2656000 H 4.864100 1.563800 -1.288500 H 3.654800 2.726900 1.922200 H 2.030800 2.069100 1.923800 H 3.413000 1.013400 2.261300 H -6.816800 1.006900 -1.429200 H -6.589100 2.356200 -0.2637000 H -7.782600 1.081400 5.8899999E-02 %chk=000107497-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000107497 0 1 O -4.571964 0.644187 -0.257721 O 6.384141 0.325107 0.990998 O -5.848129 0.352306 1.675978 C 0.876855 0.259367 0.066768 C 0.159789 -1.076996 -0.331347 C -1.284857 -1.033435 0.207462 C 2.389250 0.296526 -0.391900 C -2.114022 0.170875 -0.346437 C 3.098053 -0.966279 0.218738 C 0.062480 1.508569 -0.379295 C -1.417626 1.479979 0.090758 C 0.932092 -2.304165 0.209656 C -3.459273 -0.136897 0.356896 C -2.218364 -2.259601 0.007713 C 3.118183 1.592081 0.149086 C 2.418356 -2.287400 -0.206424 C -3.659555 -1.676999 0.216886 C 2.477499 0.301640 -1.947125 C 4.626863 -1.007152 -0.064330 C -2.301576 0.135638 -1.886570 C 4.641710 1.564289 -0.198064 C 5.325016 0.297259 0.306886 C 2.944037 1.860258 1.666038 C -5.719320 0.821974 0.522227 C -6.742651 1.648573 -0.228498 H 0.887183 0.259739 1.180476 H 0.116885 -1.159668 -1.437518 H -1.201105 -0.871080 1.308331 H 2.976973 -0.892762 1.321619 H 0.093709 1.601009 -1.481712 H 0.537963 2.424695 0.019934 H -1.448930 1.555275 1.198619 H -1.953907 2.363029 -0.308622 H 0.449145 -3.236282 -0.142176 H 0.865249 -2.310077 1.319105 H -3.412851 0.147324 1.426013 H -1.994401 -3.071641 0.721002 H -2.102367 -2.678696 -1.009761 H 2.688632 2.460414 -0.391076 H 2.951145 -3.140314 0.259794 H 2.508555 -2.423958 -1.303373 H -4.309439 -1.884842 -0.652513 H -4.160957 -2.089216 1.107987 H 3.501889 0.106994 -2.309836 H 1.826875 -0.463446 -2.402737 H 2.171058 1.283004 -2.353800 H 4.796403 -1.197727 -1.145206 H 5.103446 -1.835927 0.489860 H -1.342768 0.243397 -2.421005 H -2.769256 -0.804796 -2.227168 H -2.962301 0.963366 -2.196840 H 5.157368 2.441782 0.230972 H 4.769428 1.606664 -1.298347 H 3.487136 2.781263 1.947428 H 1.885452 2.003073 1.943873 H 3.352646 1.042501 2.287727 H -7.007543 1.153739 -1.178881 H -6.322004 2.637772 -0.479665 H -7.643297 1.774490 0.389419