%chk=000053702.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000053702 0 1 F -3.203100 -3.136700 0.2362000 F -1.229000 -2.705400 1.013200 F -1.562400 -2.736900 -1.140500 O 3.918000 -1.155700 -0.7227000 O 10.67820 1.026400 0.3727000 N 7.125700 8.8500001E-02 0.5947000 C -1.553000 0.1434000 -0.1566000 C -2.451100 -0.8802000 3.2099999E-02 C -9.9600002E-02 -0.1998000 -0.3075000 C -1.985300 1.532300 -0.1649000 C -3.898600 -0.6340000 0.2362000 C 0.7117000 -0.3096000 0.8220000 C 0.4396000 -0.4107000 -1.576500 C -2.109200 -2.350400 4.1900001E-02 C 2.601100 -0.8411000 -0.5866000 C 2.061900 -0.6303000 0.6825000 C 1.790000 -0.7314000 -1.716200 C -2.328800 2.148500 -1.368300 C -2.056400 2.248000 1.030300 C 4.813500 -0.6433000 0.2631000 C 6.181300 -0.4508000 -0.3723000 C -4.758600 -0.5810000 -0.8608000 C -4.400900 -0.4552000 1.525300 C 8.428200 0.3148000 -1.8100001E-02 C -2.743000 3.480400 -1.376600 C -2.470900 3.579800 1.022000 C -6.120500 -0.3490000 -0.6689000 C -5.762900 -0.2233000 1.717100 C -2.814200 4.196000 -0.1815000 C -6.622700 -0.1702000 0.6200000 C 9.420800 0.8368000 1.008500 H 0.3038000 -0.1556000 1.818000 H -0.1803000 -0.3304000 -2.466000 H 2.651100 -0.7338000 1.588800 H 2.204300 -0.8953000 -2.707200 H 4.475600 0.3298000 0.6446000 H 4.875300 -1.358200 1.092400 H 6.532600 -1.411500 -0.7697000 H 6.079700 0.2242000 -1.231600 H -2.280000 1.604900 -2.308900 H -1.792100 1.783600 1.977400 H -4.382000 -0.7193000 -1.871400 H -3.743300 -0.4953000 2.390300 H 7.219400 -0.5548000 1.380300 H 8.821000 -0.6121000 -0.4552000 H 8.348900 1.038900 -0.8384000 H -3.010800 3.960000 -2.313500 H -2.526600 4.137100 1.952500 H -6.790000 -0.3076000 -1.523100 H -6.154100 -8.4100001E-02 2.720700 H -3.137000 5.232900 -0.1878000 H -7.683200 1.0400000E-02 0.7694000 H 9.092400 1.796300 1.422000 H 9.553700 0.1233000 1.828700 H 11.29210 1.360100 1.049100 %chk=000053702-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000053702 0 1 F -2.695023 -3.277874 -0.540313 F -1.241978 -2.726462 1.097346 F -0.698469 -2.411542 -1.091479 O 4.055145 0.593955 -0.860035 O 10.970263 -0.244373 1.294862 N 7.328816 -0.454961 0.555761 C -1.649849 0.247365 -0.381629 C -2.381481 -0.899834 -0.101623 C -0.162306 0.292021 -0.486229 C -2.345737 1.561786 -0.579694 C -3.796352 -0.856716 0.402855 C 0.671145 -0.301137 0.498095 C 0.464015 0.999106 -1.554226 C -1.761165 -2.272888 -0.168693 C 2.676081 0.461675 -0.670312 C 2.075688 -0.217563 0.419848 C 1.860596 1.073697 -1.657381 C -3.515036 1.663835 -1.382825 C -1.811052 2.747965 -0.005597 C 4.951177 -0.047411 0.119599 C 6.383183 0.229022 -0.350909 C -4.873543 -1.519754 -0.244511 C -4.067905 -0.117593 1.586986 C 8.742622 -0.038160 0.420953 C -4.139053 2.910635 -1.590853 C -2.445263 3.993495 -0.200112 C -6.183297 -1.438023 0.275183 C -5.376472 -0.038774 2.107769 C -3.612492 4.080501 -0.993887 C -6.441815 -0.698366 1.452585 C 9.580681 -0.658119 1.544564 H 0.218447 -0.822049 1.347390 H -0.157306 1.477241 -2.318944 H 2.682526 -0.677867 1.204723 H 2.343992 1.596320 -2.488101 H 4.790643 0.377229 1.129216 H 4.745481 -1.138481 0.151323 H 6.478772 -0.068807 -1.421599 H 6.574002 1.316404 -0.299761 H -3.923253 0.764168 -1.853445 H -0.900822 2.687202 0.600894 H -4.689356 -2.093542 -1.157368 H -3.242951 0.389922 2.098979 H 7.233444 -1.478933 0.494215 H 9.202012 -0.312251 -0.557924 H 8.792991 1.062684 0.507163 H -5.034089 2.970997 -2.219775 H -2.027253 4.894532 0.262282 H -7.002307 -1.952381 -0.239948 H -5.563083 0.533017 3.023597 H -4.101506 5.048278 -1.151951 H -7.459139 -0.639581 1.855431 H 9.210569 -0.294787 2.524908 H 9.488541 -1.767769 1.522483 H 11.548817 -0.563655 2.031314