%chk=000029698.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029698

0 1
 S   -2.602900      -1.196000     -0.4800000    
 O    4.480300     -0.4888000     -2.3300000E-02
 O    3.566100       1.494300     -0.2500000    
 N    1.017000      0.3853000     -4.0300000E-02
 N   0.4154000      -1.733800      0.2424000    
 N    3.451700      0.2447000     -8.8900000E-02
 N   -1.820300       1.033100      0.5118000    
 N   -3.195200       1.138900      0.3941000    
 N   -5.051600     -0.1426000     -0.3403000    
 C  -1.5400000E-02 -0.5000000      9.9699996E-02
 C    2.180200     -0.3294000      1.7100001E-02
 C   -1.384300     -0.1341000      9.1399997E-02
 C   0.9027000       1.817000     -0.2165000    
 C    1.783300      -1.634300      0.1924000    
 C   -3.727000      4.5699999E-02 -0.1097000    
 H    1.224800       2.311000      0.7033000    
 H    1.504400       2.122200      -1.076300    
 H  -0.1113000       2.121300     -0.4649000    
 H    2.407600      -2.511700      0.2857000    
 H   -5.738200      0.5746000     -0.1309000    
 H   -5.408600      -1.008100     -0.7319000    


%chk=000029698-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029698

0 1
S -2.638573 -1.414544 -0.069478
O 4.498343 -0.756246 0.083820
O 3.799809 1.428447 -0.006914
N 1.073606 0.501892 -0.045752
N 0.400717 -1.690578 0.015608
N 3.570186 0.147938 0.030119
N -1.958313 1.180595 -0.143632
N -3.347964 1.190961 -0.177785
N -5.212504 -0.290079 -0.171224
C -0.008002 -0.377313 -0.041502
C 2.216751 -0.317687 0.012458
C -1.410270 -0.035495 -0.088262
C 1.017168 1.982457 -0.101656
C 1.773532 -1.654809 0.048540
C -3.865581 -0.059036 -0.146779
H 1.512574 2.408741 0.783894
H 1.548826 2.342918 -0.995510
H -0.040772 2.278638 -0.134132
H 2.387451 -2.549550 0.095918
H -5.831993 0.517888 -0.214878
H -5.606292 -1.225837 -0.147953


