%chk=000166808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166808

0 1
 S    1.476600      0.7656000     -0.1104000    
 O    1.165200      0.8908000       1.305100    
 O    2.484700       1.647200     -0.6804000    
 N   5.9000002E-03   1.071200      -1.003000    
 N    1.912500     -0.7862000     -0.4206000    
 N    2.956900      -1.133000      0.1621000    
 N    3.914400      -1.441300      0.7002000    
 C   -1.170600      0.4441000     -0.4921000    
 C   -1.674300     -0.7012000      -1.108600    
 C   -1.815700      0.9763000      0.6242000    
 C   -2.823100      -1.314300     -0.6087000    
 C   -2.964400      0.3632000       1.124300    
 C   -3.468200     -0.7823000      0.5079000    
 H   0.1131000      0.9617000      -2.020800    
 H   -1.179200      -1.125700      -1.978200    
 H   -1.440700       1.874300       1.108400    
 H   -3.215300      -2.206300      -1.088400    
 H   -3.468000      0.7788000       1.992200    
 H   -4.362900      -1.259400      0.8969000    


%chk=000166808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166808

0 1
S 1.636877 1.209772 -0.356858
O 1.481999 1.560756 1.216085
O 2.591943 2.089124 -1.311268
N -0.180046 1.284415 -1.182370
N 2.247913 -0.883043 -0.544168
N 2.443280 -1.364692 0.610325
N 2.648426 -1.868894 1.676693
C -1.177314 0.484131 -0.595336
C -1.776326 -0.604824 -1.303382
C -1.631900 0.818754 0.718286
C -2.847962 -1.308430 -0.725512
C -2.681221 0.083204 1.295720
C -3.297463 -0.973542 0.577107
H 0.020326 1.055457 -2.176412
H -1.402632 -0.877551 -2.297891
H -1.157062 1.647415 1.251285
H -3.322129 -2.127729 -1.275418
H -3.029247 0.334926 2.302513
H -4.120562 -1.535750 1.030699


