%chk=000060785.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060785

0 1
 S   -3.866100      -1.678700     -1.9300001E-02
 F    8.851100       1.682100      0.1091000    
 O   -4.422100      -2.289900      -1.208300    
 O   -3.612400      -2.407100       1.204900    
 N    1.049200      -1.446000      0.1350000    
 N   -2.478100     -0.7025000     -0.4233000    
 N    3.759300     -0.5432000      0.1340000    
 C  -3.2900002E-02  -2.421200      0.2642000    
 C    1.959400      -1.827600     -0.9517000    
 C    1.794900      -1.334400       1.394900    
 C  -0.8712000      -2.518500      -1.013700    
 C   -1.534100      -1.208500      -1.434600    
 C    3.065600     -0.7854000      -1.134600    
 C    2.894500     -0.2750000       1.290000    
 C   -2.916900      0.6752000     -0.4861000    
 C   -4.192500      0.8669000      2.0000000E-02
 C   -4.855800     -0.2912000      0.3571000    
 C   -4.785400       2.122100      0.1727000    
 C    5.041400      1.7600000E-02  0.1279000    
 C   -2.150700       1.775400     -0.8403000    
 C   -6.131600     -0.2926000      0.8774000    
 C   -4.015200       3.233700     -0.2155000    
 C   -6.092900       2.148500      0.7027000    
 C   -2.712000       3.055000     -0.7159000    
 C   -6.750800      0.9503000       1.051600    
 C    5.441900      0.9017000     -0.8936000    
 C    5.970700     -0.2855000       1.143000    
 C    6.720100       1.459900     -0.9000000    
 C    7.248900      0.2729000       1.136900    
 C    7.623700       1.145800      0.1152000    
 H   0.3628000      -3.416900      0.5046000    
 H  -0.6877000      -2.135300       1.096300    
 H    2.408200      -2.811000     -0.7572000    
 H    1.449300      -1.882500      -1.917300    
 H    1.117600      -1.044300       2.207300    
 H    2.240700      -2.300100       1.669300    
 H  -0.2924000      -2.923500      -1.850200    
 H   -1.647300      -3.274100     -0.8372000    
 H  -0.7551000     -0.4685000      -1.641300    
 H   -2.071200      -1.356700      -2.379600    
 H    3.765000      -1.160100      -1.892400    
 H    2.632000      0.1519000      -1.506900    
 H    2.448900      0.7225000       1.183000    
 H    3.460700     -0.2772000       2.228500    
 H   -1.130000       1.676000      -1.192800    
 H   -6.644800      -1.211600       1.134400    
 H   -4.416200       4.240200     -0.1244000    
 H   -6.606400       3.096100      0.8477000    
 H   -2.124800       3.926000     -0.9961000    
 H   -7.758400      0.9952000       1.457300    
 H    4.761200       1.180100      -1.694200    
 H    5.705500     -0.9735000       1.942700    
 H    7.011700       2.141700      -1.693500    
 H    7.953700      2.6300000E-02   1.925500    


%chk=000060785-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060785

0 1
S -4.443735 -1.753406 -0.757658
F 8.464246 2.460989 -0.011592
O -4.824664 -1.919842 -2.331631
O -4.670647 -3.032279 0.208958
N 0.936073 -1.625998 -0.064610
N -2.618968 -1.147034 -0.621020
N 3.554682 -0.366450 0.037214
C -0.105509 -2.664152 0.172124
C 2.056302 -2.108127 -0.910133
C 1.484075 -1.100861 1.212865
C -0.962534 -2.971652 -1.071999
C -1.691984 -1.725114 -1.611901
C 3.057409 -0.978076 -1.210043
C 2.460933 0.053481 0.944409
C -2.600676 0.179731 -0.171108
C -3.891149 0.694341 0.212847
C -5.017015 -0.130928 0.011744
C -4.061465 2.007104 0.766845
C 4.765477 0.375046 0.009640
C -1.473465 1.006507 -0.025568
C -6.317104 0.226202 0.339952
C -2.891561 2.823292 0.913489
C -5.399014 2.390629 1.118901
C -1.645342 2.320317 0.515420
C -6.486951 1.527935 0.918859
C 5.471374 0.614636 -1.209136
C 5.343919 0.871484 1.219055
C 6.705784 1.299676 -1.219289
C 6.567422 1.567914 1.215487
C 7.231874 1.767640 -0.007021
H 0.348929 -3.612899 0.551772
H -0.778345 -2.284598 0.963773
H 2.599509 -2.949696 -0.410052
H 1.657527 -2.484609 -1.868816
H 0.646242 -0.727567 1.829883
H 2.011599 -1.901523 1.789246
H -0.345893 -3.395070 -1.888949
H -1.703170 -3.746797 -0.799188
H -0.955752 -0.943155 -1.873065
H -2.259374 -1.973726 -2.533307
H 3.907495 -1.415776 -1.761892
H 2.568810 -0.220718 -1.868314
H 1.896544 0.904728 0.494731
H 2.876797 0.400020 1.902906
H -0.479398 0.631360 -0.291393
H -7.172866 -0.432366 0.168456
H -2.979408 3.831176 1.332066
H -5.567359 3.383679 1.550732
H -0.754811 2.949863 0.625881
H -7.494797 1.850781 1.199144
H 5.056811 0.287309 -2.165784
H 4.855161 0.688420 2.180327
H 7.241904 1.480906 -2.155751
H 7.009058 1.937749 2.145694


