%chk=000129360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129360

0 1
 S   -5.492600     -0.2693000      0.7152000    
 F   0.3727000      -2.670500      -2.269100    
 F    3.349300      -4.978700      0.6023000    
 O    2.796300       5.008500      -1.310300    
 O   0.7732000       4.874800     -0.2759000    
 O   -6.396000      0.5323000     -9.7999997E-02
 O   -5.795000      -1.672800      0.9613000    
 N    1.046100     -0.2005000     -0.7085000    
 C    1.352700       2.102000      0.3160000    
 C    1.615200      0.6337000      0.2120000    
 C    2.466100     -0.1084000       1.005700    
 C    1.872900       2.607700       1.686100    
 C    3.227300      0.4857000       2.140900    
 C    3.249600       2.023400       2.060400    
 C    2.416900      -1.453500      0.5411000    
 C    1.522200      -1.482100     -0.5339000    
 C    2.013900       2.854000     -0.8407000    
 C   2.5200000E-02  0.1489000      -1.673200    
 C    3.042500      -2.654700      0.9321000    
 C    1.227900      -2.654800      -1.239100    
 C   -1.352300      4.4599999E-02  -1.076700    
 C    1.756000       4.332500     -0.7585000    
 C    2.756700      -3.834100      0.2352000    
 C    1.863400      -3.831800     -0.8338000    
 C   -1.683500      -1.063600     -0.3091000    
 C   -2.274000       1.058000      -1.302400    
 C   -2.960700      -1.160300      0.2433000    
 C   -3.551100      0.9614000     -0.7500000    
 C   -3.894500     -0.1477000      2.3000000E-02
 C   -5.346400      0.5153000       2.304700    
 H   0.2713000       2.286600      0.2916000    
 H    1.157200       2.302400       2.462400    
 H    1.916900       3.700000       1.735200    
 H    2.749500      0.1805000       3.079900    
 H    4.254700      0.1053000       2.157400    
 H    3.573700       2.429200       3.025700    
 H    3.994100       2.341200       1.320500    
 H    3.098200       2.684600     -0.8174000    
 H    1.671100       2.526200      -1.824100    
 H   0.1124000     -0.4874000      -2.557900    
 H   0.2087000       1.163200      -2.026900    
 H    3.740900      -2.672900       1.763800    
 H    1.655900      -4.759100      -1.361200    
 H   -1.008800      -1.883700     -0.1123000    
 H   -2.017700       1.927300      -1.901500    
 H   -3.206300      -2.030700      0.8452000    
 H   -4.259700       1.765200     -0.9288000    
 H    2.662200       5.979500      -1.273200    
 H   -5.043100       1.554100       2.161100    
 H   -6.322700      0.4767000       2.792700    
 H   -4.609900     -2.5699999E-02   2.901700    


%chk=000129360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129360

0 1
S -5.631175 0.130543 0.729615
F 0.567484 -2.854941 -2.307263
F 3.562903 -5.066811 0.773960
O 2.172744 5.176348 -1.530784
O 0.119186 4.107451 -1.412952
O -6.369854 1.498682 0.217362
O -6.262296 -1.359118 0.480316
N 1.156085 -0.264580 -0.760627
C 1.445493 2.064177 0.313521
C 1.711350 0.583919 0.226385
C 2.548417 -0.146236 1.070155
C 1.889057 2.559750 1.723028
C 3.284260 0.465499 2.237539
C 3.280138 2.013964 2.133763
C 2.526092 -1.517574 0.613758
C 1.642331 -1.560173 -0.529545
C 2.169165 2.863050 -0.823865
C 0.085814 0.114867 -1.714850
C 3.181912 -2.695703 1.061422
C 1.436670 -2.788119 -1.187380
C -1.316549 0.119385 -1.100073
C 1.364569 4.069873 -1.266239
C 2.928544 -3.876299 0.357719
C 2.066239 -3.962185 -0.763298
C -1.930226 -1.100584 -0.711180
C -2.020922 1.341335 -0.945136
C -3.223081 -1.105469 -0.145069
C -3.318897 1.355734 -0.384241
C -3.870764 0.130261 0.016218
C -5.381963 0.314542 2.621502
H 0.360575 2.254009 0.200649
H 1.138488 2.232282 2.468618
H 1.895025 3.666726 1.735471
H 2.802836 0.155864 3.188661
H 4.326794 0.094498 2.285985
H 3.580304 2.454417 3.102623
H 4.039724 2.332386 1.392130
H 3.177976 3.180295 -0.514071
H 2.305534 2.225050 -1.718993
H 0.129871 -0.598476 -2.553568
H 0.313395 1.116812 -2.115624
H 3.858436 -2.696152 1.919829
H 1.902684 -4.910805 -1.279706
H -1.405726 -2.049089 -0.866072
H -1.560016 2.283604 -1.266671
H -3.732018 -2.036428 0.126954
H -3.896513 2.281531 -0.290359
H 1.610083 5.932880 -1.854438
H -4.871801 1.273307 2.786238
H -6.398765 0.307815 3.038357
H -4.791012 -0.549616 2.954227


