%chk=000122430.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122430

0 1
 S   -2.550700      5.1000002E-03  0.4961000    
 O   -2.573400      -1.159000       1.372600    
 O   -3.276800       1.206100      0.8871000    
 O    2.027300      -2.394700     -8.8799998E-02
 O    3.651400     -0.9434000      0.5612000    
 N   -3.080000     -0.4708000      -1.057700    
 N    3.102200       1.569500     -0.4915000    
 C  -0.8896000      0.4576000      0.2057000    
 C   0.1230000     -0.4948000      0.3202000    
 C    1.450300     -0.1326000      9.0300001E-02
 C  -0.5751000       1.772100     -0.1386000    
 C    1.764800       1.182000     -0.2541000    
 C   0.7522000       2.134400     -0.3687000    
 C   -2.410800      -1.580700      -1.751100    
 C    2.485000      -1.150900      0.2172000    
 H  -0.1311000      -1.514000      0.5993000    
 H   -1.347900       2.528800     -0.2403000    
 H   0.9832000       3.161900     -0.6381000    
 H   -3.520200      0.2346000      -1.661200    
 H   -2.090400      -2.356100      -1.051300    
 H   -1.552600      -1.207500      -2.315400    
 H   -3.116200      -2.032200      -2.454500    
 H    3.309600       2.527600     -0.7413000    
 H    3.855600      0.8992000     -0.4256000    
 H    2.729300      -3.074200     -9.9999997E-05


%chk=000122430-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122430

0 1
S -2.580874 -0.040725 0.434735
O -2.548301 -1.421748 1.288468
O -3.381586 1.303657 0.876115
O 2.177304 -2.416927 0.395328
O 3.879782 -0.901700 -0.013008
N -3.338536 -0.503573 -1.175982
N 3.191508 1.661701 -0.427172
C -0.786588 0.464696 0.149072
C 0.212070 -0.504002 0.237594
C 1.566758 -0.123770 0.040328
C -0.505447 1.828508 -0.106110
C 1.892412 1.259333 -0.236589
C 0.823311 2.216014 -0.296754
C -2.762835 -1.688824 -1.838322
C 2.638113 -1.125855 0.130163
H -0.028044 -1.542827 0.483130
H -1.319004 2.561917 -0.117128
H 1.063857 3.268287 -0.485401
H -3.440372 0.354258 -1.740668
H -2.707898 -2.504112 -1.097498
H -1.758956 -1.534523 -2.289921
H -3.467184 -2.003586 -2.628579
H 3.408523 2.638900 -0.608240
H 3.934255 0.953998 -0.358731
H 2.956832 -3.031096 0.456569


