%chk=000117043.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117043

0 1
 S   -3.940900     -0.7474000     -5.8600001E-02
 F    2.207100       2.387700     -4.9600001E-02
 F    3.145600       1.407500       1.668000    
 F    4.369800       2.388600      0.1640000    
 O   -5.099800     -0.3821000     -0.8515000    
 O   -4.122700      -1.367100       1.239900    
 O    4.266400     -0.4498000     -0.1980000    
 N    2.378200      0.1173000      -1.423500    
 N   -2.878600      -1.700400      -1.023700    
 N    2.377300      -2.574400      0.7940000    
 C   0.8351000      -1.713400     -0.8899000    
 C    1.980300      -1.248400      -1.742200    
 C    1.063900      -2.348900      0.3263000    
 C   -1.544000      -1.919600     -0.5665000    
 C  -0.4633000      -1.496500      -1.340400    
 C  -1.6899999E-02  -2.771800       1.100200    
 C   -1.320800      -2.557200      0.6537000    
 C   -2.993600      0.7293000      0.1753000    
 C    1.693000       1.157100      -2.186800    
 C    3.350500      0.3387000     -0.4486000    
 C   -3.120400       1.761500     -0.7365000    
 C   -2.146300      0.8211000       1.264500    
 C   -1.513800       3.037300      0.5393000    
 C   -2.373800       2.925400     -0.5530000    
 C   -1.399900       1.985100       1.448000    
 C    2.723600      -3.683000       1.626800    
 C    3.259900       1.621500      0.3328000    
 C  -0.7158000       4.281900      0.7360000    
 H    2.841700      -1.919200      -1.650100    
 H    1.710700      -1.308300      -2.804800    
 H  -0.6402000     -0.9984000      -2.290800    
 H   -2.974400      -1.587200      -2.041400    
 H   0.1212000      -3.268100       2.056400    
 H   -2.142600      -2.920500       1.262800    
 H    3.138800      -2.090500      0.3384000    
 H   0.7222000       1.358000      -1.725800    
 H    2.293000       2.070500      -2.213100    
 H    1.548000      0.8303000      -3.220800    
 H   -3.777800       1.690600      -1.597400    
 H   -2.047700      1.8600000E-02   1.988300    
 H   -2.470200       3.738300      -1.267800    
 H  -0.7346000       2.060700       2.304100    
 H    3.812900      -3.752900       1.712400    
 H    2.328200      -3.563800       2.640400    
 H    2.365300      -4.628900       1.207400    
 H   -1.302800       5.021400       1.289600    
 H   0.2057000       4.079200       1.292400    
 H  -0.4198000       4.714200     -0.2259000    


%chk=000117043-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117043

0 1
S -4.070297 -0.763823 -0.107650
F 2.762743 2.429077 0.863115
F 4.934523 1.798991 0.834450
F 4.011183 2.679918 -1.030610
O -5.397355 -0.290920 -0.943333
O -4.165462 -1.432196 1.382878
O 4.077478 -0.596120 0.038784
N 2.286100 0.252030 -1.197735
N -2.958798 -2.216182 -1.294230
N 2.276238 -2.673698 0.811234
C 0.787527 -1.788818 -0.940256
C 1.934975 -1.125554 -1.690576
C 1.012475 -2.553344 0.268940
C -1.641110 -2.303967 -0.828940
C -0.516130 -1.668244 -1.444674
C -0.115348 -3.199178 0.881407
C -1.400994 -3.078924 0.351150
C -2.975489 0.778847 0.099662
C 1.369911 1.328373 -1.633302
C 3.370916 0.377687 -0.377204
C -3.148500 1.850207 -0.792537
C -2.032696 0.798976 1.142721
C -1.364578 3.060184 0.412500
C -2.335148 2.994641 -0.623035
C -1.225200 1.948532 1.287418
C 2.568991 -3.464258 2.009444
C 3.776174 1.813129 0.069360
C -0.515277 4.303256 0.608096
H 2.857908 -1.729297 -1.651045
H 1.653851 -1.001329 -2.751518
H -0.678182 -1.087502 -2.364381
H -3.023573 -1.721150 -2.210853
H 0.032946 -3.797565 1.784476
H -2.256680 -3.567772 0.826333
H 3.040177 -2.077694 0.454245
H 0.345496 1.089566 -1.299504
H 1.647529 2.301931 -1.212659
H 1.387625 1.401795 -2.735878
H -3.921466 1.802172 -1.567377
H -1.956633 -0.049118 1.831088
H -2.465658 3.850982 -1.295228
H -0.485876 1.988232 2.096067
H 3.648183 -3.398710 2.219041
H 2.022605 -3.094119 2.900267
H 2.309225 -4.530654 1.866042
H -0.919505 4.928076 1.427617
H 0.524484 4.047392 0.880580
H -0.491607 4.930141 -0.300089


