%chk=000114277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114277

0 1
S 3.537587 -0.867869 0.835319
F -4.557938 2.433328 0.428257
F -2.729256 3.295627 -0.173090
F -3.975582 2.354858 -1.598241
O 3.878653 -1.890841 -0.453808
O 4.739258 -0.716700 1.598477
O 2.355788 -1.442180 1.439610
N 0.188085 -1.084447 -1.409448
N -0.585996 -2.651775 0.192321
C -0.947782 -0.536755 -0.713220
C 1.349055 -0.188151 -1.657244
C 0.437014 -2.397317 -0.815078
C -1.394232 -1.482407 0.276039
C 1.737277 0.705402 -0.458997
C -1.625622 0.650710 -0.925994
C 3.205155 0.599068 -0.057982
C -2.513616 -1.214273 1.056152
C 1.330860 -3.289895 -1.255853
C -0.179179 -3.354088 1.431756
C -2.761758 0.906457 -0.128248
C -3.194826 -0.007399 0.839946
C -3.490866 2.199120 -0.353323
H 1.075778 0.448368 -2.531419
H 2.209431 -0.814926 -1.993310
H 1.087021 0.485923 0.419967
H 1.509270 1.763302 -0.711028
H -1.296145 1.357368 -1.686758
H 3.497438 1.499387 0.529463
H 3.856547 0.673252 -0.959938
H -2.862458 -1.920701 1.805833
H 1.978454 -3.111297 -2.098036
H 3.439416 -2.767248 -0.436791
H 1.400149 -4.290929 -0.865505
H 0.098297 -4.392237 1.180510
H 0.690783 -2.865415 1.922450
H -1.015077 -3.389179 2.146931
H -4.077685 0.202858 1.448179


%chk=000114277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114277

0 1
S 3.152473 -0.472349 1.208557
F -4.159396 2.533980 1.114387
F -2.597820 3.294545 -0.355438
F -4.389190 2.129811 -1.100306
O 3.610925 -2.147106 0.752651
O 4.281625 0.078620 2.221539
O 1.577574 -0.409631 1.629324
N 0.355005 -0.991068 -1.137757
N -0.418692 -2.606253 0.220619
C -0.810805 -0.495430 -0.522396
C 1.265407 -0.160808 -1.939243
C 0.611382 -2.292291 -0.677121
C -1.299148 -1.520003 0.341744
C 2.048631 0.905285 -1.120132
C -1.474210 0.728437 -0.656849
C 3.377766 0.476180 -0.498277
C -2.464342 -1.333194 1.103858
C 1.720100 -3.097517 -0.963305
C -0.448295 -3.845644 0.997159
C -2.653962 0.911298 0.111407
C -3.141107 -0.099452 0.976952
C -3.425788 2.184180 -0.043012
H 0.656189 0.359600 -2.701140
H 1.958479 -0.823897 -2.484129
H 1.389983 1.325694 -0.337008
H 2.283255 1.739732 -1.811841
H -1.108667 1.526333 -1.308345
H 3.988348 1.339548 -0.188594
H 3.971425 -0.230233 -1.099131
H -2.843401 -2.101163 1.783125
H 2.308880 -2.887933 -1.862022
H 2.821520 -2.560267 0.112379
H 1.675958 -4.151262 -0.672863
H -0.491502 -4.725457 0.330608
H 0.449294 -3.917974 1.636962
H -1.339667 -3.850351 1.641356
H -4.044930 0.085038 1.564182


