%chk=000179834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179834

0 1
S -2.548471 2.801616 0.687720
F -0.847445 1.585374 -1.249179
O 0.475785 -2.842554 -0.659618
O -0.508777 0.103627 1.864926
O 3.985918 0.625335 -2.178949
O 2.798342 1.785916 -0.676056
O -3.575198 -0.615054 -1.686392
O -1.790691 -1.225848 -2.896136
N -1.028855 -1.353747 0.193149
N -3.564133 -0.935775 2.004545
N 4.171532 0.114656 1.373599
C 2.808186 -1.426088 -0.032610
C 1.448372 -0.948352 0.481336
C -2.843897 0.118356 1.243107
C 3.900439 -0.340216 -0.002050
C 0.337175 -1.810048 -0.043751
C -1.378627 -0.355588 1.144225
C -2.891003 1.500858 1.902552
C -2.073436 -2.064746 -0.581439
C 3.472554 0.812135 -0.926813
C -2.383726 -1.293235 -1.853110
C -0.738537 2.945834 0.665379
C -0.282793 2.741006 -0.766870
H 2.713288 -1.821395 -1.069455
H 3.154068 -2.290330 0.577457
H 1.261062 0.121771 0.220329
H 1.424016 -0.949273 1.600497
H -3.299939 0.181057 0.206256
H 4.853655 -0.783469 -0.415878
H -3.902997 1.717571 2.300431
H -2.193942 1.567246 2.763260
H -1.699917 -3.088117 -0.869059
H -2.994655 -2.229354 0.033190
H -4.569926 -0.797133 1.947496
H -3.305966 -0.927896 2.988652
H 3.341061 0.496437 1.820294
H 4.895683 0.826964 1.398987
H -0.266511 2.215861 1.359618
H -0.453322 3.949985 1.034743
H 0.821407 2.613023 -0.838112
H -0.604798 3.556162 -1.443739
H 3.707680 1.325270 -2.831250
H -3.818758 -0.058440 -2.475282


%chk=000179834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179834

0 1
S -2.536075 3.162689 0.766578
F -0.166688 1.646520 -0.882798
O 0.303566 -2.752108 -0.879227
O -0.514607 0.241532 1.914299
O 3.883266 0.794985 -2.236270
O 3.202374 1.984917 -0.363203
O -3.448785 -2.590196 -2.318148
O -2.235759 -0.604610 -2.329324
N -1.119119 -1.318994 0.265175
N -3.672076 -0.740224 1.913671
N 4.126834 -0.224501 1.313406
C 2.699630 -1.382566 -0.391105
C 1.409079 -0.932351 0.319653
C -2.853622 0.277597 1.196926
C 3.886741 -0.407549 -0.121358
C 0.209174 -1.743115 -0.130190
C -1.393163 -0.252986 1.152718
C -2.924912 1.670150 1.868172
C -2.219862 -2.099972 -0.336763
C 3.622028 0.916983 -0.868110
C -2.584467 -1.646886 -1.742134
C -0.644335 3.293536 0.869878
C 0.041870 3.041430 -0.465154
H 2.533802 -1.463644 -1.479648
H 3.002903 -2.379747 -0.029083
H 1.186867 0.134460 0.133371
H 1.510202 -1.025545 1.415944
H -3.229194 0.359568 0.160355
H 4.785833 -0.858666 -0.577800
H -3.967846 1.857308 2.180731
H -2.271332 1.711033 2.755748
H -1.911940 -3.156305 -0.395576
H -3.101096 -2.029794 0.332158
H -4.682052 -0.568371 1.861275
H -3.364026 -0.908882 2.878144
H 3.391333 0.312510 1.785511
H 5.056231 0.144662 1.536249
H -0.300547 2.577834 1.633362
H -0.418389 4.321432 1.205668
H 1.136783 3.172111 -0.380149
H -0.372059 3.668056 -1.275078
H 3.639494 1.638827 -2.706086
H -3.692155 -2.291725 -3.235789


