%chk=000058894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058894

0 1
 S   -1.261800      -1.830700       1.229300    
 O    1.223800       2.291300     -0.8437000    
 O    3.754000     -0.9737000      0.7813000    
 O    2.573400       2.034900      0.9961000    
 O    3.692200     -0.7002000      -1.498800    
 O    1.015900      -2.507800      -1.307200    
 N  -0.8249000      0.8296000       1.038700    
 N   0.9416000     -0.1816000      -1.319400    
 C   -2.268600       1.112700       1.094800    
 C    1.794900      4.7899999E-02 -0.1717000    
 C    1.148400     -0.5500000       1.088000    
 C   -3.168600      4.6100002E-02  0.4694000    
 C  -0.3419000     -0.3549000       1.109300    
 C   -2.796300      -1.309000      0.4990000    
 C   -2.651600       1.299000       2.575800    
 C   -2.400400       2.482500      0.3891000    
 C   -4.418800      0.3707000     -9.0499997E-02
 C    1.930000       1.559700      6.5200001E-02
 C    3.174700     -0.5885000     -0.3919000    
 C   -3.640500      -2.293800     -3.6400001E-02
 C   -5.253500     -0.6123000     -0.6271000    
 C   -4.863000      -1.944600     -0.6024000    
 C   0.6281000      -1.444900      -1.785200    
 C    1.260100       3.711200     -0.6655000    
 C    5.061500      -1.545600      0.6721000    
 C  -0.2953000      -1.398400      -2.973000    
 C   0.4315000       4.365600      -1.750300    
 C    5.555100      -1.915200       2.054600    
 H    1.548900     -9.3800001E-02   2.003500    
 H    1.378500      -1.620500       1.168500    
 H   -2.524500      0.3734000       3.148600    
 H   -3.697200       1.610000       2.683900    
 H   -2.023400       2.060400       3.053200    
 H   -3.388100       2.934100      0.5289000    
 H   -2.216800       2.387600     -0.6877000    
 H   -1.668200       3.199000      0.7816000    
 H   0.5221000      0.6224000      -1.778400    
 H   -4.776500       1.395900     -0.1113000    
 H   -3.355500      -3.343600     -1.7300000E-02
 H   -6.211400     -0.3341000      -1.056800    
 H   -5.511300      -2.711300      -1.015700    
 H   0.8505000       3.966000      0.3182000    
 H    2.296500       4.060600     -0.7299000    
 H    5.016300      -2.441900      4.3400001E-02
 H    5.742100     -0.8164000      0.2188000    
 H   0.1338000     -0.7676000      -3.756700    
 H  -0.4370000      -2.407200      -3.370200    
 H   -1.264700     -0.9940000      -2.668800    
 H   0.4356000       5.453800      -1.642200    
 H  -0.6032000       4.011300      -1.716000    
 H   0.8218000       4.107500      -2.740300    
 H    5.588100      -1.031700       2.700700    
 H    4.874000      -2.629900       2.528400    
 H    6.554500      -2.356700       2.008300    


%chk=000058894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058894

0 1
S -1.510481 -1.686475 1.970195
O 1.408718 2.402819 -0.777698
O 3.560600 -1.107249 0.750762
O 1.835020 1.794639 1.429878
O 3.959509 0.043673 -1.232996
O 1.861937 -2.212170 -1.962577
N -1.067609 0.595567 0.389069
N 1.125242 -0.041318 -1.652360
C -2.447577 1.093125 0.720123
C 1.656502 0.026205 -0.287996
C 0.877809 -0.894689 0.692136
C -3.485391 -0.047976 0.724132
C -0.562030 -0.477738 0.887155
C -3.182600 -1.308921 1.303538
C -2.378170 1.733964 2.141846
C -2.758487 2.190147 -0.322855
C -4.789914 0.129265 0.194260
C 1.623609 1.484115 0.238760
C 3.180667 -0.355946 -0.343746
C -4.142714 -2.345252 1.365671
C -5.763183 -0.890108 0.265860
C -5.441659 -2.131626 0.859804
C 1.278197 -1.176301 -2.419813
C 1.378439 3.840271 -0.363591
C 5.001234 -1.520451 0.785301
C 0.724143 -1.105257 -3.835143
C 1.054900 4.654044 -1.611220
C 5.200022 -2.313111 2.071623
H 1.388468 -0.886921 1.671890
H 0.934015 -1.927184 0.306171
H -2.137362 0.979783 2.910153
H -3.350433 2.193313 2.392625
H -1.595287 2.513303 2.162138
H -3.674661 2.750853 -0.068811
H -2.867590 1.759792 -1.333805
H -1.915392 2.901555 -0.342605
H 0.698780 0.809225 -2.022162
H -5.055316 1.082889 -0.271158
H -3.868563 -3.313273 1.798411
H -6.765838 -0.715993 -0.139361
H -6.187248 -2.931903 0.916626
H 0.616918 3.949060 0.430162
H 2.365214 4.090345 0.064848
H 5.197373 -2.118897 -0.122023
H 5.620746 -0.606582 0.744357
H 0.132872 -0.193540 -4.026158
H 1.564745 -1.139932 -4.550494
H 0.094114 -1.990805 -4.022323
H 1.029982 5.729396 -1.357331
H 0.070261 4.372821 -2.023443
H 1.819366 4.500022 -2.391472
H 4.973124 -1.694439 2.956563
H 4.549135 -3.203691 2.089603
H 6.250743 -2.649140 2.141782


