%chk=000030210.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000030210 0 1 O -7.8999996E-03 1.358100 0.4549000 O -2.368900 -1.2500000E-02 -3.0099999E-02 O 1.725600 -0.8371000 0.4287000 C -7.5099997E-02 0.3965000 -0.6007000 C -1.110600 -0.6521000 -0.2161000 C 1.304800 -0.2244000 -0.7857000 C 0.9230000 2.385100 0.1553000 C -3.381400 -0.9480000 0.3118000 C 2.990600 -1.465700 0.2820000 H -0.4020000 0.9030000 -1.517600 H -0.8346000 -1.140100 0.7261000 H -1.193500 -1.410700 -1.003000 H 2.052500 0.5081000 -1.107000 H 1.248000 -0.9902000 -1.569700 H 0.6929000 3.238500 0.8007000 H 0.8475000 2.722500 -0.8835000 H 1.943800 2.073300 0.3939000 H -3.137200 -1.452700 1.251600 H -3.511500 -1.683100 -0.4884000 H -4.321600 -0.4054000 0.4421000 H 2.942400 -2.255100 -0.4743000 H 3.263600 -1.917200 1.239500 H 3.755600 -0.7310000 1.2600000E-02 %chk=000030210-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000030210 0 1 O 0.189224 1.357597 0.610097 O -2.270589 -0.081254 -0.385259 O 1.747754 -1.262099 0.304867 C 0.094007 0.356405 -0.466737 C -0.966414 -0.657954 -0.039116 C 1.453114 -0.300131 -0.757133 C 0.557650 2.686873 0.133024 C -3.375746 -0.827557 0.204996 C 3.067258 -1.863918 0.153651 H -0.260495 0.846845 -1.401097 H -0.877920 -0.831337 1.051935 H -0.823546 -1.627098 -0.563992 H 2.247417 0.478501 -0.808161 H 1.414602 -0.821095 -1.742707 H 0.562060 3.338112 1.021668 H -0.181675 3.071352 -0.601418 H 1.568096 2.707925 -0.331144 H -3.311838 -0.837453 1.314074 H -3.405375 -1.878710 -0.157592 H -4.299262 -0.311644 -0.103090 H 3.158736 -2.420661 -0.804894 H 3.187443 -2.564963 0.994578 H 3.871499 -1.097935 0.196547