%chk=000107363.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107363 0 1 O -2.527200 0.3179000 4.4599999E-02 C 1.416000 -0.5685000 0.4258000 C -0.2632000 1.067800 0.3718000 C 0.6767000 0.3909000 1.358200 C 1.752800 0.3272000 -0.7752000 C 0.6387000 1.385000 -0.8238000 C 0.4688000 -1.720700 4.2700000E-02 C -0.8349000 -1.256700 -0.6126000 C -1.327600 5.7100002E-02 -3.1700000E-02 H 2.320200 -0.9739000 0.8911000 H -0.7435000 1.958800 0.7859000 H 1.369400 1.117400 1.799400 H 0.1528000 -0.1279000 2.167900 H 1.827500 -0.2343000 -1.712100 H 2.716400 0.8249000 -0.6136000 H 1.078400 2.383300 -0.7160000 H 0.1030000 1.359000 -1.778600 H 0.2237000 -2.285000 0.9519000 H 0.9806000 -2.421000 -0.6278000 H -1.607900 -2.021400 -0.4834000 H -0.6863000 -1.108000 -1.687900 %chk=000107363-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107363 0 1 O -2.595941 0.250274 0.172798 C 1.432991 -0.584686 0.437097 C -0.297507 1.082546 0.366263 C 0.682936 0.399913 1.371251 C 1.773278 0.307616 -0.797189 C 0.644405 1.397215 -0.844301 C 0.475389 -1.748390 0.065056 C -0.824612 -1.240914 -0.631025 C -1.364780 0.053309 -0.011811 H 2.342693 -0.997734 0.910653 H -0.796551 1.979229 0.769591 H 1.368194 1.157707 1.796788 H 0.167362 -0.103818 2.209382 H 1.823121 -0.288144 -1.727013 H 2.762659 0.782139 -0.665794 H 1.069886 2.408106 -0.709219 H 0.099281 1.404502 -1.805406 H 0.203900 -2.296794 0.988547 H 0.988989 -2.469203 -0.599483 H -1.622123 -2.003399 -0.624783 H -0.599169 -1.017572 -1.694803