%chk=000059848.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059848

0 1
 S   0.6306000      -1.656900      0.3630000    
 O   -4.242400     -0.7683000     -0.7384000    
 O   -2.458100       1.831000     -0.1719000    
 O   -4.714800      0.5753000       1.098100    
 N   0.3961000      0.8705000     -9.4400004E-02
 N   -1.643400     -0.3726000      0.2044000    
 C    2.081700     -0.7512000      0.1463000    
 C    1.754200      0.5874000     -8.9400001E-02
 C    4.428900     -0.2560000     -2.6500000E-02
 C    3.414000      -1.193500      0.1818000    
 C    2.799100       1.514200     -0.2971000    
 C    4.127700       1.080700     -0.2631000    
 C  -0.2831000     -0.2297000      0.1312000    
 C    5.854900     -0.6968000      8.8999998E-03
 C   -2.588600      0.6394000      5.1399998E-02
 C   -3.993300      0.1433000      0.2206000    
 C   -5.563500      -1.316700     -0.7248000    
 H    3.645400      -2.238300      0.3691000    
 H    2.574900       2.560900     -0.4820000    
 H    4.921600       1.806500     -0.4222000    
 H    5.955300      -1.738900     -0.3132000    
 H    6.471900     -9.3099996E-02 -0.6656000    
 H    6.251100     -0.6042000       1.025000    
 H   -1.971900      -1.316200      0.3930000    
 H   -5.747900      -1.837400      0.2199000    
 H   -5.641600      -2.037000      -1.543400    
 H   -6.303900     -0.5262000     -0.8805000    


%chk=000059848-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059848

0 1
S 0.581314 -1.783324 -0.198413
O -4.179149 -1.009630 -0.235861
O -2.353799 2.075676 0.098788
O -5.100396 1.130014 -0.036936
N 0.410781 0.923836 0.008012
N -1.732264 -0.208142 -0.114101
C 2.098524 -0.792041 -0.098347
C 1.780685 0.603053 0.005118
C 4.481007 -0.301835 -0.023093
C 3.429396 -1.248190 -0.112817
C 2.833838 1.543285 0.094306
C 4.163104 1.085530 0.079502
C -0.341555 -0.141744 -0.086480
C 5.931269 -0.752307 -0.036965
C -2.635534 0.865232 -0.024364
C -4.108403 0.386919 -0.095189
C -5.546041 -1.587380 -0.315919
H 3.662020 -2.314859 -0.191834
H 2.590048 2.606495 0.173279
H 4.981260 1.811972 0.148759
H 6.017960 -1.850325 -0.099989
H 6.475252 -0.321533 -0.898618
H 6.460704 -0.424039 0.877065
H -2.172660 -1.130559 -0.209937
H -6.101531 -1.358780 0.608341
H -5.391271 -2.668497 -0.432279
H -6.079661 -1.162627 -1.181831


