%chk=000069729.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000069729 0 1 F 4.647600 0.7542000 -1.5400000E-02 O -1.042500 -1.892900 7.1999999E-03 C -3.218300 -0.1662000 2.1100000E-02 C -1.795900 0.3966000 2.9300001E-02 C -4.258800 0.9529000 -3.0000001E-04 C -0.7428000 -0.7011000 1.3000000E-02 C 0.6983000 -0.3120000 5.4000001E-03 C -5.673500 0.3979000 -4.6799999E-02 C 1.019800 1.025800 1.3500000E-02 C 1.649300 -1.306500 -9.2000002E-03 C 2.366300 1.389300 6.5000001E-03 C 2.996000 -0.9431000 -1.6100001E-02 C 3.354600 0.4049000 -8.1000002E-03 H -3.371800 -0.7983000 0.9047000 H -3.354100 -0.8114000 -0.8561000 H -1.661100 1.001600 0.9329000 H -1.661700 1.023400 -0.8596000 H -4.097800 1.595300 -0.8740000 H -4.146800 1.582100 0.8902000 H -6.401100 1.215400 -5.9799999E-02 H -5.878900 -0.2259000 0.8290000 H -5.827900 -0.2086000 -0.9449000 H 0.2868000 1.824000 2.5699999E-02 H 1.391900 -2.361000 -1.5500000E-02 H 2.646500 2.438600 1.2700000E-02 H 3.765700 -1.709100 -2.7700000E-02 %chk=000069729-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000069729 0 1 F 4.783744 0.726223 0.011173 O -1.052768 -1.931924 -0.010190 C -3.263276 -0.173628 -0.003898 C -1.827181 0.381689 0.003325 C -4.328032 0.945699 -0.009515 C -0.746262 -0.703194 -0.001871 C 0.700064 -0.284822 0.002353 C -5.769032 0.391529 -0.017360 C 1.104630 1.078117 0.014221 C 1.696200 -1.300777 -0.006330 C 2.471038 1.425965 0.017349 C 3.064827 -0.975073 -0.003546 C 3.418914 0.387335 0.008249 H -3.407395 -0.827246 0.877554 H -3.397975 -0.827544 -0.886589 H -1.673240 1.029846 0.892125 H -1.669239 1.041883 -0.875875 H -4.177292 1.594991 -0.896769 H -4.187108 1.595219 0.879217 H -6.516852 1.205485 -0.018973 H -5.955060 -0.238238 0.872833 H -5.946941 -0.234381 -0.911901 H 0.357655 1.877646 0.021224 H 1.364343 -2.343951 -0.015372 H 2.802621 2.467999 0.026556 H 3.843417 -1.742949 -0.010289