%chk=000112055.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112055 0 1 O 3.221500 0.4289000 0.1799000 O 3.171000 -1.855300 9.5299996E-02 O 2.628100 2.637700 0.1173000 C 1.216600 -0.5524000 -0.5194000 C 0.2278000 -1.468400 0.1799000 C 0.9722000 0.9119000 -0.2168000 C 2.621200 -0.7731000 -4.0500000E-02 C -1.172400 -1.233500 -0.3040000 C 2.341300 1.454100 2.5300000E-02 C -3.582100 -0.6123000 6.8999999E-03 C -2.178500 -0.8366000 0.4890000 C -4.017900 0.8368000 0.2247000 C -5.449000 1.062300 -0.2377000 H 1.211800 -0.7161000 -1.604600 H 0.4878000 -2.515400 -2.0800000E-02 H 0.2967000 -1.346600 1.268800 H 0.3766000 1.072000 0.6874000 H 0.5089000 1.419500 -1.067400 H -1.362100 -1.409900 -1.360000 H -4.248700 -1.287000 0.5575000 H -3.675700 -0.8699000 -1.055100 H -1.990900 -0.6701000 1.547000 H -3.352400 1.515100 -0.3231000 H -3.940200 1.098700 1.287000 H -6.145200 0.4233000 0.3150000 H -5.555300 0.8443000 -1.305200 H -5.740700 2.104300 -7.3200002E-02 %chk=000112055-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000112055 0 1 O 3.344315 0.358911 0.301442 O 3.285883 -1.942729 -0.088946 O 2.772342 2.615938 0.483955 C 1.260330 -0.554539 -0.565694 C 0.248428 -1.463504 0.201475 C 1.082725 0.960442 -0.330119 C 2.697525 -0.859680 -0.125180 C -1.170949 -1.260711 -0.282108 C 2.425648 1.472925 0.183684 C -3.619053 -0.600923 0.019864 C -2.194800 -0.805189 0.487355 C -4.115107 0.859487 0.209408 C -5.589415 1.039781 -0.210223 H 1.192009 -0.803704 -1.641811 H 0.566484 -2.513860 0.053056 H 0.316477 -1.253491 1.286397 H 0.301925 1.177676 0.420746 H 0.808608 1.523763 -1.237729 H -1.366505 -1.510401 -1.337647 H -4.295790 -1.271359 0.591152 H -3.713393 -0.888879 -1.045653 H -1.994566 -0.561038 1.544434 H -3.469475 1.540639 -0.379278 H -3.991736 1.150515 1.272175 H -6.255258 0.391559 0.390173 H -5.734843 0.775801 -1.274606 H -5.921407 2.084871 -0.073123