%chk=000178213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178213

0 1
 S    5.249600      0.3917000     -0.2427000    
 F   0.5793000       2.329300     -0.9355000    
 O   -1.150600      -2.267900     -0.3913000    
 O   -1.366900       2.303000      0.3873000    
 O    3.564900      -1.978100      0.7112000    
 N  -0.7501000      4.4300001E-02 -1.8200001E-02
 C   -2.898700     -0.7302000     -3.5799999E-02
 C   -2.962300      0.5867000      0.1504000    
 C   -4.076200      -1.629900     -0.1338000    
 C   -4.218800       1.357200      0.3327000    
 C   -5.375100     -0.8253000     -0.3073000    
 C   -5.410700      0.4202000      0.5902000    
 C   -1.488200      -1.118200     -0.1626000    
 C   -1.595600       1.122700      0.1803000    
 C   0.6795000      0.1202000     -6.7299999E-02
 C    1.452700     -0.9670000      0.3474000    
 C    1.307700       1.278500     -0.5320000    
 C    2.844900     -0.8964000      0.2979000    
 C    2.699900       1.349100     -0.5817000    
 C    3.468600      0.2616000     -0.1668000    
 C    3.887600      -2.955600     -0.2752000    
 C    5.558300       1.804100      0.8530000    
 H   -3.965900      -2.321500     -0.9763000    
 H   -4.139000      -2.233100      0.7795000    
 H   -4.124900       2.058600       1.168900    
 H   -4.407100       1.948100     -0.5714000    
 H   -5.470700     -0.5119000      -1.355100    
 H   -6.235700      -1.467800     -8.9299999E-02
 H   -5.401800      0.1021000       1.640900    
 H   -6.347200      0.9674000      0.4332000    
 H   0.9946000      -1.870100      0.7405000    
 H    3.160500       2.259900     -0.9556000    
 H    4.389700      -2.504100      -1.136400    
 H    2.980200      -3.472400     -0.6035000    
 H    4.561500      -3.688400      0.1768000    
 H    6.637100       1.929400      0.9791000    
 H    5.110500       1.629100       1.835000    
 H    5.151600       2.724200      0.4259000    


%chk=000178213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178213

0 1
S 5.240265 0.768593 -0.715153
F 0.323889 2.085810 -1.828664
O -1.087099 -2.175996 -0.729383
O -1.353432 2.333604 0.618361
O 3.694781 -1.407155 0.985345
N -0.814726 0.127673 -0.138875
C -3.008545 -0.709041 -0.159611
C -3.087625 0.604489 0.210302
C -4.185478 -1.628893 -0.314819
C -4.359897 1.327454 0.543972
C -5.501177 -0.803744 -0.335556
C -5.509189 0.304521 0.751928
C -1.569212 -1.069607 -0.388530
C -1.703993 1.186573 0.262570
C 0.599158 0.248665 -0.264471
C 1.475001 -0.630564 0.410592
C 1.170815 1.244835 -1.089347
C 2.872595 -0.505757 0.270162
C 2.556913 1.422125 -1.199729
C 3.428302 0.543821 -0.514865
C 4.228286 -2.522054 0.166070
C 5.752157 1.001937 1.094342
H -4.078595 -2.235444 -1.234096
H -4.196402 -2.357003 0.522188
H -4.216139 1.960371 1.440135
H -4.608491 2.029357 -0.278380
H -5.618785 -0.332875 -1.331622
H -6.364825 -1.478867 -0.193625
H -5.401447 -0.166281 1.749221
H -6.481027 0.831076 0.746856
H 1.076935 -1.428242 1.042920
H 2.951658 2.236684 -1.812511
H 4.863450 -2.133268 -0.650982
H 3.396697 -3.124324 -0.246166
H 4.829329 -3.132172 0.857153
H 6.851802 1.059760 1.091324
H 5.406456 0.136040 1.675801
H 5.320796 1.937400 1.479543


