%chk=000171637.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171637

0 1
 S   -4.308800       2.530000     -3.6200002E-02
 O   -5.792400       2.487400      0.1810000    
 N   -1.794000      0.6343000      3.6400001E-02
 N    2.909000      0.5207000     -4.3800000E-02
 N    5.303900       2.068700      8.9400001E-02
 N   0.5454000      0.5749000     -3.8000001E-03
 C   -2.372700       1.009700      -1.264200    
 C   -2.032400       1.544300       1.165100    
 C    2.964800       1.846500     -0.6744000    
 C    3.874200      0.2892000       1.036400    
 C  -0.6139000     -0.1210000      7.1000000E-03
 C   -3.882800       1.171400      -1.166400    
 C   -3.523300       1.746400       1.402300    
 C    1.682200     -0.1526000     -3.4100000E-02
 C    4.402700       2.198100      -1.054700    
 C    5.279800      0.6976000      0.5959000    
 C  -0.6991000      -1.514600     -1.0900000E-02
 C   0.5098000      -2.240000     -4.2399999E-02
 C    1.720900      -1.538400     -5.4000001E-02
 C   -1.925100      -2.200000      7.9999998E-04
 C   0.4641000      -3.643600     -6.1500002E-02
 C   -1.951900      -3.594400     -1.8400000E-02
 C  -0.7601000      -4.314500     -4.9500000E-02
 H   -2.162800      0.2353000      -2.012800    
 H   -1.900900       1.935300      -1.617900    
 H   -1.532200       2.502400      0.9761000    
 H   -1.596400       1.122600       2.079400    
 H    2.560800       2.598800      1.5300000E-02
 H    2.353900       1.865900      -1.585600    
 H    3.903000     -0.7634000       1.339500    
 H    3.571700      0.8694000       1.917600    
 H   -4.301900       1.419700      -2.146300    
 H   -4.364000      0.2551000     -0.8091000    
 H   -4.027500      0.7943000       1.599600    
 H   -3.684500       2.404500       2.261600    
 H    4.745500       1.553900      -1.874300    
 H    4.435900       3.229500      -1.422300    
 H    5.961000      0.6203000       1.450300    
 H    5.650000      8.3999997E-03 -0.1735000    
 H    6.252500       2.303100     -0.2016000    
 H    2.663300      -2.078100     -9.5299996E-02
 H   -2.876700      -1.676300      3.1399999E-02
 H    1.382300      -4.226700     -8.5699998E-02
 H   -2.902900      -4.119100     -7.7000000E-03
 H  -0.7827000      -5.400400     -6.4000003E-02


%chk=000171637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171637

0 1
S -4.343997 2.633799 -0.649164
O -5.786982 2.724850 0.195812
N -1.764066 0.621156 -0.184769
N 2.906392 0.467414 0.360931
N 5.246584 2.099987 0.323193
N 0.567781 0.423793 0.091231
C -2.654484 0.421764 -1.357106
C -1.639579 2.037707 0.224233
C 2.828456 1.899444 0.727536
C 4.236604 -0.138171 0.559192
C -0.613521 -0.202633 -0.053314
C -4.119762 0.739335 -1.045292
C -2.973091 2.594289 0.734812
C 1.747877 -0.299543 0.198261
C 3.930980 2.703317 0.014115
C 5.323328 0.702202 -0.146537
C -0.741731 -1.649412 -0.036551
C 0.498316 -2.398763 -0.018040
C 1.742518 -1.709339 0.088242
C -1.986613 -2.350559 0.038864
C 0.426484 -3.835214 -0.046385
C -2.024291 -3.748492 0.038152
C -0.803998 -4.493177 -0.032129
H -2.569366 -0.619336 -1.707224
H -2.307280 1.064999 -2.200811
H -1.247441 2.664097 -0.609438
H -0.886707 2.094579 1.028038
H 2.962807 2.011207 1.825396
H 1.827839 2.262940 0.451141
H 4.256853 -1.156781 0.142213
H 4.473957 -0.197449 1.643618
H -4.783382 0.556752 -1.905856
H -4.502106 0.233637 -0.143398
H -3.426063 1.979267 1.529407
H -2.887492 3.643839 1.060345
H 3.709336 2.713649 -1.081859
H 3.914562 3.745463 0.381757
H 6.316789 0.286909 0.102970
H 5.170478 0.608384 -1.250876
H 6.037672 2.672867 0.005082
H 2.660931 -2.298666 0.129276
H -2.916837 -1.782688 0.144813
H 1.360967 -4.408929 -0.057596
H -2.981668 -4.275403 0.109032
H -0.839354 -5.588493 -0.046521


