%chk=000127603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127603

0 1
 S   -1.900300       1.338600      0.4076000    
 O    3.496100       1.614500      -1.023500    
 N    1.698500     -0.1049000      0.4653000    
 N  -0.3330000     -0.8728000      1.5000000E-03
 N   -5.393600     -0.5055000     -0.5335000    
 C    3.129700     -7.4699998E-02  0.6532000    
 C   0.9436000      -1.176800      7.7799998E-02
 C   0.8492000      0.9500000      0.6475000    
 C  -0.3779000      0.4395000      0.3541000    
 C    3.877000      0.3062000     -0.6177000    
 C    1.540100      -2.497700     -0.2084000    
 C   -3.050900      2.6000001E-02 -9.4599999E-02
 C   -4.478300      0.5576000     -0.1293000    
 H    3.330200      0.6602000       1.442200    
 H    3.458200      -1.051000       1.022500    
 H    1.192900       1.927500      0.9577000    
 H    4.956100      0.3014000     -0.4350000    
 H    3.653900     -0.3865000      -1.435100    
 H    2.310700      -2.428300     -0.9817000    
 H    1.981500      -2.931700      0.6940000    
 H   0.7731000      -3.191300     -0.5682000    
 H   -2.762800     -0.3410000      -1.086400    
 H   -2.978400     -0.8057000      0.6156000    
 H   -4.779900      0.9207000      0.8595000    
 H   -4.566700       1.389900     -0.8370000    
 H    3.997900       1.820100      -1.830600    
 H   -5.148400     -0.8331000      -1.467000    
 H   -6.338400     -0.1294000     -0.6019000    


%chk=000127603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127603

0 1
S -1.871362 1.516744 1.378391
O 3.501141 1.942029 -0.477253
N 1.582115 -0.260227 0.384687
N -0.592559 -0.866531 0.526095
N -4.656982 -0.465600 -1.015923
C 3.034747 -0.334029 0.175538
C 0.658131 -1.299707 0.240459
C 0.869149 0.891167 0.777206
C -0.464290 0.489059 0.858861
C 3.539614 0.556206 -0.967851
C 1.007253 -2.701858 -0.162844
C -3.296648 0.391404 0.840953
C -3.561866 0.464682 -0.672826
H 3.562867 -0.035133 1.100281
H 3.297231 -1.383759 -0.039746
H 1.367579 1.841691 0.930438
H 4.581528 0.261437 -1.216187
H 2.899175 0.421112 -1.863748
H 1.482668 -2.754440 -1.161064
H 1.684462 -3.195332 0.560423
H 0.072706 -3.282478 -0.199834
H -3.019277 -0.630954 1.144991
H -4.174416 0.729356 1.415032
H -3.878481 1.489991 -0.937640
H -2.607907 0.261717 -1.208803
H 3.626553 2.572683 -1.228638
H -4.399144 -1.454858 -0.956535
H -5.163889 -0.242572 -1.875861


