%chk=000108830.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108830 0 1 F 5.366800 -1.044600 -0.8602000 F 4.711900 -1.485400 1.160000 F 3.647900 -2.336200 -0.5350000 O -1.048000 7.4199997E-02 -0.5489000 C 3.4100000E-02 1.069500 1.364500 C 1.311900 1.079600 0.5678000 C -2.485600 0.5196000 1.336900 C -1.152000 0.5107000 0.5969000 C -3.632400 2.2900000E-02 0.5226000 C 2.152400 -2.3800001E-02 0.6101000 C 3.335100 -1.4400000E-02 -0.1292000 C 1.629600 2.192200 -0.1984000 C 3.665200 1.098300 -0.9028000 C 2.812400 2.201500 -0.9375000 C -4.377900 0.9146000 -0.2486000 C -3.959400 -1.333000 0.5324000 C 4.247700 -1.193400 -9.0999998E-02 C -5.450400 0.4503000 -1.010000 C -5.031900 -1.797200 -0.2291000 C -5.777400 -0.9056000 -1.000400 H 0.1663000 0.4721000 2.274500 H -0.2113000 2.089900 1.682800 H -2.374700 -9.1100000E-02 2.241100 H -2.682900 1.546000 1.669300 H 1.894700 -0.8920000 1.211400 H 0.9710000 3.055500 -0.2340000 H 4.582000 1.124600 -1.485300 H 3.069000 3.067700 -1.540400 H -4.132000 1.973100 -0.2666000 H -3.385100 -2.038200 1.127400 H -6.030600 1.144500 -1.611000 H -5.286200 -2.853100 -0.2220000 H -6.612300 -1.267100 -1.593500 %chk=000108830-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108830 0 1 F 5.795306 -1.014332 0.011154 F 5.530231 0.361155 1.789994 F 4.423525 -1.611617 1.722208 O -1.185988 0.140107 -1.006853 C -0.004613 0.972567 0.982823 C 1.333619 0.895541 0.274270 C -2.377578 -0.062250 1.137217 C -1.192626 0.327814 0.231955 C -3.731475 -0.148045 0.454422 C 2.421614 0.229009 0.881995 C 3.671161 0.150579 0.223609 C 1.519619 1.481091 -1.005742 C 3.853268 0.735727 -1.049826 C 2.767432 1.398702 -1.659920 C -4.783906 0.715110 0.850527 C -3.970364 -1.087133 -0.581679 C 4.824264 -0.517539 0.912344 C -6.051557 0.643166 0.228422 C -5.235375 -1.160261 -1.204819 C -6.280821 -0.296696 -0.801970 H 0.055104 0.527408 1.993836 H -0.300451 2.032687 1.141709 H -2.097779 -1.047255 1.572687 H -2.411968 0.639622 1.992242 H 2.299278 -0.240339 1.864408 H 0.680867 1.985125 -1.494957 H 4.820933 0.664407 -1.555577 H 2.894509 1.848857 -2.649592 H -4.613437 1.446336 1.651041 H -3.162096 -1.749001 -0.909251 H -6.855184 1.316185 0.547843 H -5.405217 -1.888967 -2.005320 H -7.262397 -0.356059 -1.285399