%chk=000052059.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052059

0 1
 S   -1.790300     -0.4917000      0.3769000    
 O   0.5653000     -0.2340000       2.246200    
 O    2.347000     -0.5230000      -2.088800    
 O    2.649500       3.371400      0.3194000    
 N    1.519900       1.595300       1.243800    
 N    2.409300       1.451200     -0.9219000    
 C   0.8990000     -0.3232000     -0.1539000    
 C  -0.4682000      6.9499999E-02 -0.7418000    
 C   0.9743000      -1.851200     -2.1199999E-02
 C   0.9899000      0.3137000       1.229200    
 C    1.962200      0.1562000      -1.137100    
 C    2.266300      -2.271700      0.6614000    
 C  -0.6613000     -0.5351000      -2.122600    
 C   -3.204400      0.1063000     -0.5753000    
 C   -4.579600     -0.1198000      7.5900003E-02
 C    2.351200      -3.785600      0.7719000    
 C    2.208500       2.225700      0.2144000    
 C   -4.699100      0.5407000       1.450900    
 C   -5.739300      0.3053000     -0.8274000    
 H  -0.5406000       1.161600     -0.8201000    
 H   0.9369000      -2.343500      -1.000400    
 H   0.1537000      -2.273700      0.5677000    
 H    2.351500      -1.860600       1.671700    
 H    3.139300      -1.920300      0.1007000    
 H  -0.8086000      -1.620000      -2.109800    
 H   -1.529700     -9.7499996E-02  -2.625900    
 H   0.1529000     -0.3129000      -2.814800    
 H   -3.233100     -0.4211000      -1.532400    
 H   -3.069800       1.174900     -0.7767000    
 H   -4.695800      -1.201700      0.2320000    
 H    1.468500       2.097800       2.125600    
 H    3.013500       1.847600      -1.636500    
 H    1.522800      -4.184700       1.366100    
 H    2.324100      -4.255300     -0.2167000    
 H    3.287300      -4.077800       1.258600    
 H   -4.522100       1.619500       1.384400    
 H   -5.701700      0.3906000       1.866500    
 H   -3.989500      0.1213000       2.170300    
 H   -5.709100       1.382500      -1.023100    
 H   -6.703600      6.9799997E-02 -0.3650000    
 H   -5.693100     -0.2156000      -1.789400    


%chk=000052059-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052059

0 1
S -1.975021 -0.878519 0.131060
O 0.422723 -0.565443 2.285673
O 2.596890 -0.320285 -1.919538
O 1.684491 3.531189 0.515597
N 0.875365 1.483848 1.312604
N 2.051373 1.586934 -0.732107
C 0.869331 -0.544002 -0.155269
C -0.499774 -0.283527 -0.940242
C 1.212390 -2.052494 -0.050557
C 0.713497 0.078630 1.251553
C 1.931956 0.205485 -0.991901
C 2.533436 -2.366337 0.690797
C -0.549498 -0.925971 -2.337392
C -3.356399 0.106887 -0.730162
C -4.627929 0.134223 0.149169
C 2.809674 -3.884811 0.726245
C 1.531191 2.292948 0.371483
C -4.422508 0.954704 1.443703
C -5.809194 0.696664 -0.681367
H -0.637834 0.812505 -1.020925
H 1.280311 -2.460305 -1.074390
H 0.373770 -2.557775 0.463640
H 2.481451 -1.981658 1.726035
H 3.374595 -1.855766 0.182637
H -0.607589 -2.024135 -2.265784
H -1.450132 -0.577582 -2.872825
H 0.334066 -0.661153 -2.946025
H -3.566911 -0.371662 -1.702331
H -2.981223 1.134160 -0.900491
H -4.874363 -0.911037 0.429588
H 0.611060 1.944526 2.189511
H 2.643057 2.132349 -1.367497
H 1.996349 -4.423411 1.247746
H 2.890689 -4.299582 -0.296184
H 3.754140 -4.106125 1.255615
H -4.211756 2.014577 1.201098
H -5.331385 0.926077 2.072124
H -3.577756 0.564265 2.038039
H -5.602176 1.733866 -1.008555
H -6.733442 0.713865 -0.075544
H -6.002916 0.084777 -1.582030


