%chk=000001883.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001883

0 1
 S    1.236400       2.235400     -0.3711000    
 O    1.262300      -2.399700     -1.1300000E-02
 O   -1.740500      -1.530700      -1.358600    
 O   -2.308000      -1.743800      0.8465000    
 N   0.4534000     -0.2085000      0.3097000    
 N    3.212100      5.7300001E-02 -0.8299000    
 C    1.382700      0.8193000      0.7423000    
 C    2.503200     -0.1938000      0.4207000    
 C    1.348400      -1.216000      0.2188000    
 C  -0.8736000      6.2000002E-03  0.1179000    
 C   -1.382400       1.258300      3.2000002E-02
 C  -0.5192000       2.518100      3.9099999E-02
 C   -2.851900       1.579300     -9.8999999E-02
 C   -1.722900      -1.181400     -5.7100002E-02
 H    1.287100       1.052700       1.809500    
 H    3.157300     -0.4298000       1.265500    
 H  -0.8962000       3.228700     -0.7041000    
 H  -0.5829000       2.997300       1.022200    
 H    2.611400      0.3447000      -1.601700    
 H    3.742700     -0.7446000      -1.167800    
 H   -3.491100      0.6935000     -4.9300000E-02
 H   -3.047000       2.074400      -1.055900    
 H   -3.163100       2.249500      0.7093000    
 H   -2.297900      -2.321400      -1.521000    


%chk=000001883-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001883

0 1
S 1.303712 2.260722 -0.359226
O 1.282821 -2.175531 -0.979665
O -2.910532 -1.252234 -0.753198
O -1.470888 -2.344340 0.702359
N 0.414445 -0.280359 0.301639
N 3.612181 0.173213 -0.517183
C 1.400134 0.719675 0.740380
C 2.557994 -0.285520 0.338650
C 1.384448 -1.174541 -0.254646
C -0.961858 -0.051779 0.054725
C -1.447837 1.230770 -0.085078
C -0.556524 2.466814 -0.032746
C -2.912325 1.590748 -0.238779
C -1.767403 -1.311435 0.061004
H 1.308900 1.023490 1.794303
H 2.987253 -0.756026 1.239383
H -0.895006 3.187439 -0.799191
H -0.670619 2.962409 0.950542
H 3.366675 0.437121 -1.470788
H 4.533272 -0.241972 -0.400491
H -3.587789 0.780502 0.066395
H -3.138658 1.821777 -1.298218
H -3.144071 2.499647 0.349542
H -3.368025 -2.135590 -0.703013


