%chk=000112944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112944

1 1
 S   -1.341100       1.399700      0.7901000    
 O   -1.596000      0.7429000       2.058000    
 O   -1.395300       2.845900      0.6935000    
 O    4.009500     -0.2339000      -1.077200    
 N   -2.348700      0.6941000     -0.4095000    
 N    2.595300      -1.873100      0.6851000    
 N    3.018300      -2.815800       1.035700    
 C   -3.741200      -1.205500      -1.063100    
 C   -2.356900     -0.7323000     -0.6279000    
 C   -4.830100     -0.8607000     -4.3800000E-02
 C   0.2621000      0.9058000      0.2329000    
 C   -6.205200      -1.285700     -0.5353000    
 C   0.7944000     -0.2907000      0.6809000    
 C   0.9556000       1.725100     -0.6408000    
 C    2.059700     -0.6800000      0.2415000    
 C    2.220900       1.335800      -1.080500    
 C    2.772900      0.1333000     -0.6393000    
 C    5.126000      0.1952000     -0.3004000    
 H   -3.715400      -2.289700      -1.224500    
 H   -3.992000     -0.7445000      -2.027000    
 H   -1.629200     -0.9829000      -1.406800    
 H   -2.074900      -1.269700      0.2834000    
 H   -4.852300      0.2175000      0.1501000    
 H   -4.614900      -1.357400      0.9094000    
 H   -2.618900       1.280300      -1.209200    
 H   -6.242100      -2.365500     -0.7114000    
 H   -6.967500      -1.037000      0.2097000    
 H   -6.463400     -0.7757000      -1.468800    
 H   0.2476000     -0.9338000       1.364400    
 H   0.5399000       2.660700      -1.002000    
 H    2.769800       1.973200      -1.768500    
 H    5.060000     -0.1932000      0.7208000    
 H    5.182500       1.288200     -0.2834000    
 H    6.036100     -0.1947000     -0.7643000    


%chk=000112944-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112944

1 1
S -1.470848 0.222784 0.307380
O -1.769414 -0.850219 1.495162
O -1.841887 1.809854 0.353680
O 4.609247 0.206242 0.105124
N -1.958154 -0.524430 -1.334930
N 3.288464 -1.756616 1.313548
N 3.928030 -2.587748 1.810127
C -4.427045 -1.247239 -1.266074
C -2.939490 -1.655182 -1.235057
C -4.901239 -0.413407 -0.052182
C 0.430845 0.208266 0.165758
C -6.419846 -0.137776 -0.099632
C 1.113610 -0.832828 0.775350
C 1.083553 1.293735 -0.469269
C 2.541587 -0.775050 0.723920
C 2.488590 1.340002 -0.523211
C 3.253178 0.303281 0.068641
C 5.454333 1.263004 -0.522397
H -5.021041 -2.181808 -1.313733
H -4.643501 -0.699855 -2.207564
H -2.689827 -2.310161 -2.092623
H -2.707116 -2.219195 -0.311301
H -4.364640 0.557861 -0.015326
H -4.645544 -0.947913 0.883443
H -2.340494 0.283276 -1.870211
H -6.995653 -1.081655 -0.086672
H -6.740585 0.464615 0.768155
H -6.699692 0.415203 -1.015706
H 0.574903 -1.634256 1.294670
H 0.484857 2.110287 -0.888732
H 2.987035 2.179412 -1.013576
H 5.274237 2.231037 -0.025268
H 5.245810 1.316455 -1.604157
H 6.483237 0.925923 -0.345536


