%chk=000091383.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000091383 0 1 O -5.4299999E-02 -0.8639000 -1.271000 O 2.652700 -0.2854000 -1.101700 C -0.1546000 -0.3996000 7.8599997E-02 C -0.4230000 1.112700 4.0399998E-02 C -1.303800 -1.142200 0.7797000 C -1.789700 1.444900 -0.5614000 C -2.666700 -0.8042000 0.1735000 C -2.914000 0.7006000 0.1516000 C 1.178400 -0.6881000 0.7713000 C 2.345100 -3.5500001E-02 6.2700003E-02 C 3.129900 0.9607000 0.8764000 H 0.3332000 1.627400 -0.5644000 H -0.3705000 1.528300 1.054800 H -1.315800 -0.8878000 1.847100 H -1.154300 -2.226400 0.7055000 H -1.797800 1.186400 -1.627300 H -1.965600 2.524800 -0.4966000 H -3.456700 -1.297900 0.7509000 H -2.726100 -1.200300 -0.8475000 H -3.001100 1.070900 1.180500 H -3.868100 0.9105000 -0.3449000 H 1.389300 -1.764800 0.7823000 H 1.152600 -0.3563000 1.815800 H 0.1046000 -1.823100 -1.247300 H 3.569000 0.4608000 1.743300 H 3.934700 1.381100 0.2668000 H 2.473800 1.772400 1.199700 %chk=000091383-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000091383 0 1 O -0.147446 -0.957715 -1.206829 O 2.339521 0.280553 -1.176663 C -0.225903 -0.303413 0.116773 C -0.633024 1.190659 -0.038755 C -1.310827 -1.080921 0.897653 C -2.029211 1.337178 -0.685807 C -2.708859 -0.925257 0.256916 C -3.101408 0.564602 0.117327 C 1.146962 -0.438582 0.838160 C 2.344085 0.141480 0.082878 C 3.558088 0.538218 0.905126 H 0.125092 1.721409 -0.646499 H -0.642179 1.664285 0.965776 H -1.333384 -0.709169 1.943027 H -1.022624 -2.149291 0.927093 H -1.986128 0.932723 -1.715349 H -2.296015 2.409253 -0.760992 H -3.459195 -1.469086 0.863119 H -2.688086 -1.392945 -0.745118 H -3.204027 1.017026 1.126844 H -4.088078 0.654365 -0.376788 H 1.358677 -1.521293 0.978921 H 1.108136 0.003189 1.853070 H 0.638944 -0.551765 -1.672228 H 3.786745 -0.226814 1.669501 H 4.430839 0.698160 0.253467 H 3.340506 1.479152 1.448176