%chk=000094690.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000094690 0 1 O -4.240100 2.456300 0.1726000 O 5.068700 1.372700 0.1556000 O -2.318300 -2.671800 -1.098900 O -1.337500 -4.043900 0.3187000 N -1.335700 -3.073700 -0.4557000 C 5.2200001E-02 -1.198900 0.3876000 C -1.082000 -0.2326000 0.3308000 C 1.420300 -0.4978000 0.3242000 C -5.7599999E-02 -2.356100 -0.6409000 C -1.950300 -0.1119000 1.415500 C 1.986700 -7.0799999E-02 1.498200 C -1.274800 0.5504000 -0.8074000 C 2.009700 -0.3324000 -0.9035000 C -3.011600 0.7917000 1.362300 C 3.226900 0.5652000 1.440800 C -2.335900 1.454200 -0.8608000 C 3.250000 0.3034000 -0.9610000 C -3.204300 1.574900 0.2241000 C 3.858700 0.7521000 0.2112000 C -4.396300 3.228900 -1.001000 C 5.671100 1.540100 -1.112300 H 2.3200000E-02 -1.697700 1.369600 H -5.9000000E-02 -2.019600 -1.683200 H 0.7510000 -3.086000 -0.5175000 H -1.815600 -0.7143000 2.310000 H 1.499900 -0.2109000 2.458000 H -0.6226000 0.4678000 -1.671400 H 1.561000 -0.6545000 -1.835200 H -3.684900 0.8811000 2.210300 H 3.695700 0.9132000 2.357200 H -2.433100 2.031000 -1.774400 H 3.687000 0.4212000 -1.946900 H -5.270800 3.872200 -0.8581000 H -4.602300 2.601200 -1.874800 H -3.538900 3.890000 -1.168000 H 5.898000 0.5775000 -1.583300 H 6.626900 2.051800 -0.9580000 H 5.069000 2.180900 -1.765500 %chk=000094690-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000094690 0 1 O -4.493222 2.346837 0.218184 O 5.141164 1.521022 0.068565 O -2.080819 -3.598147 -1.286801 O -1.467755 -3.609359 0.908481 N -1.315875 -3.245367 -0.316969 C 0.056779 -1.218107 0.381255 C -1.120168 -0.230131 0.323567 C 1.419873 -0.532258 0.222372 C -0.118748 -2.357591 -0.652724 C -2.208513 -0.362280 1.227273 C 1.916008 0.245019 1.305977 C -1.169789 0.806408 -0.638316 C 2.206668 -0.605580 -0.950288 C -3.311631 0.507917 1.168496 C 3.147682 0.912504 1.226296 C -2.271111 1.687567 -0.715096 C 3.453144 0.059366 -1.051423 C -3.348995 1.534952 0.192979 C 3.925849 0.820967 0.042821 C -4.589021 3.413205 -0.780935 C 5.987656 1.449866 -1.124627 H 0.034946 -1.706067 1.375061 H -0.308020 -1.994977 -1.674156 H 0.756249 -3.033552 -0.645054 H -2.192730 -1.158380 1.980717 H 1.319885 0.327993 2.222584 H -0.328085 0.946040 -1.327084 H 1.865557 -1.186278 -1.815176 H -4.153189 0.410964 1.860880 H 3.531402 1.506084 2.061541 H -2.274656 2.480702 -1.468905 H 4.033783 -0.026609 -1.974783 H -5.554335 3.902999 -0.586371 H -4.579512 3.003281 -1.809804 H -3.768570 4.148528 -0.666799 H 6.295421 0.407558 -1.338288 H 6.873449 2.055982 -0.885155 H 5.473630 1.873822 -2.009395