%chk=000102787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102787

0 1
 S  -0.4857000       2.455200       1.771000    
 F    5.524100     -7.1000000E-03  5.9599999E-02
 F    4.327100      -1.791000     -0.2382000    
 F    4.484300     -0.3130000      -1.825500    
 O  -0.4946000     -0.2650000      -1.791700    
 N   -1.929600      -3.870300      0.6135000    
 C  -0.6604000      0.1475000     -0.4237000    
 C   -1.150200      -1.048800      0.4129000    
 C   0.7179000      0.5856000      7.2899997E-02
 C   -1.729200       1.241100     -0.4217000    
 C   -2.459200      -1.598400     -0.1383000    
 C   0.8851000       1.589700       1.040900    
 C   -1.730700       2.290200      0.5125000    
 C   -2.922100      -2.804000      0.6780000    
 C    1.873000     -7.6099999E-02 -0.3974000    
 C   -2.798200       1.175400      -1.341600    
 C    3.147800      0.2694000      5.2800000E-02
 C    2.171800       1.928700       1.492800    
 C   -2.758100       3.248900      0.4970000    
 C    3.297400       1.275800      0.9964000    
 C   -3.812300       2.133900      -1.353600    
 C   -3.790000       3.174100     -0.4353000    
 C    4.345500     -0.4456000     -0.4741000    
 C   -1.698900      -4.276700     -0.7739000    
 C   -2.354700      -5.019400       1.414800    
 H  -0.3817000      -1.831600      0.3966000    
 H   -1.281800     -0.7615000       1.464600    
 H   -3.263300     -0.8685000     -4.1999999E-03
 H   -2.418000      -1.824500      -1.207700    
 H   -3.069000      -2.493200       1.720300    
 H   -3.897300      -3.142000      0.3034000    
 H    1.786500     -0.8841000      -1.120900    
 H   -2.851100      0.3840000      -2.085700    
 H  -0.3077000      -1.218500      -1.815400    
 H    2.312300       2.705600       2.241800    
 H   -2.768400       4.066200       1.215500    
 H    4.278200       1.561900       1.365300    
 H   -4.616300       2.065000      -2.080300    
 H   -4.577100       3.922100     -0.4381000    
 H   -1.147400      -3.521600      -1.341800    
 H   -2.630400      -4.515000      -1.300400    
 H   -1.063100      -5.170100     -0.8063000    
 H   -1.582800      -5.797000       1.413900    
 H   -3.288700      -5.458500       1.045500    
 H   -2.500800      -4.726100       2.460400    


%chk=000102787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102787

0 1
S -0.705686 2.638492 1.509520
F 5.552532 0.098894 0.501556
F 4.363912 -1.832322 0.612522
F 4.500412 -0.704390 -1.341277
O -0.484134 -1.312916 -0.826137
N -2.042438 -3.329367 -0.274862
C -0.687146 -0.233153 0.111013
C -1.248669 -0.776746 1.482199
C 0.678837 0.416287 0.409832
C -1.651609 0.829034 -0.468415
C -2.605730 -1.528903 1.425511
C 0.786615 1.662478 1.079880
C -1.790018 2.112467 0.115255
C -2.490607 -3.042161 1.128983
C 1.863326 -0.266164 0.067020
C -2.442995 0.530328 -1.603040
C 3.125560 0.256939 0.428724
C 2.047448 2.192858 1.437538
C -2.732919 3.047774 -0.368275
C 3.222912 1.484245 1.124461
C -3.391117 1.451605 -2.098022
C -3.550863 2.707662 -1.467736
C 4.355495 -0.515303 0.062587
C -3.173034 -3.271551 -1.242793
C -1.297874 -4.613750 -0.387623
H -0.470991 -1.444704 1.903667
H -1.344554 0.077742 2.176711
H -3.099276 -1.433546 2.412595
H -3.284849 -1.038722 0.700961
H -1.745386 -3.484792 1.816043
H -3.462130 -3.547820 1.326883
H 1.755089 -1.206866 -0.480246
H -2.269172 -0.430521 -2.096886
H -1.105138 -2.147129 -0.607208
H 2.109861 3.162107 1.942155
H -2.808009 4.038566 0.092597
H 4.201199 1.887427 1.400838
H -3.995115 1.197300 -2.976086
H -4.282572 3.430604 -1.844567
H -3.692748 -2.303509 -1.151400
H -3.908177 -4.087467 -1.068954
H -2.781727 -3.357825 -2.271053
H -0.954962 -4.747557 -1.428083
H -1.921916 -5.489657 -0.105113
H -0.409437 -4.583266 0.265328


