%chk=000178423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178423

0 1
 S   1.4900000E-02  -1.900700     -0.5686000    
 O    4.476700     -0.2243000      0.4918000    
 O    3.421700     -0.5572000       2.504700    
 N    3.088500      -1.306000     -0.9394000    
 N   -2.517300      -1.257500      -1.206900    
 N   -1.961600     -0.6856000      0.8678000    
 C    1.127900     -0.9025000      0.4835000    
 C    2.541800      -1.479400      0.4196000    
 C    1.054300      0.5575000      0.1168000    
 C    3.498400     -0.7154000       1.298500    
 C   -1.543700      -1.241700     -0.2473000    
 C    1.196100       1.517300       1.108300    
 C   0.8466000      0.9187000      -1.206300    
 C    4.158900     -0.6059000     -0.7566000    
 C   -3.638100     -0.6724000     -0.6758000    
 C   -3.265900     -0.3241000      0.6196000    
 C    1.128400       2.868600      0.7689000    
 C   0.7790000       2.270000      -1.545400    
 C    5.091000     -0.1601000      -1.819900    
 C   0.9199000       3.244900     -0.5578000    
 C   -4.906800     -0.4256000      -1.201400    
 C   -4.202200      0.3090000       1.454500    
 C   -5.826200      0.2053000     -0.3567000    
 C   -5.482200      0.5669000      0.9480000    
 H   0.7572000      -1.022500       1.510100    
 H    2.583400      -2.538500      0.6994000    
 H    1.347600       1.239700       2.147100    
 H   0.7749000      0.2057000      -2.020800    
 H   -2.425800      -1.632900      -2.141300    
 H    1.236100       3.627700       1.538200    
 H   0.6267000       2.564100      -2.579900    
 H    5.090200      0.9319000      -1.871100    
 H    4.778500     -0.5618000      -2.787500    
 H    6.100100     -0.5160000      -1.596900    
 H   -5.171300     -0.7071000      -2.214300    
 H   0.8690000       4.297000     -0.8222000    
 H   -3.944400      0.5940000       2.469500    
 H   -6.827300      0.4179000     -0.7236000    
 H   -6.218400       1.056000       1.580700    


%chk=000178423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178423

0 1
S -0.136722 -1.294831 -1.404684
O 4.373505 -0.575745 0.783693
O 2.774330 -0.554969 2.513278
N 3.096443 -1.329372 -1.022794
N -2.925689 -1.103419 -1.413163
N -1.984159 -0.606891 0.607372
C 0.915585 -0.427036 -0.039197
C 2.185724 -1.290183 0.155083
C 1.151886 1.039316 -0.339633
C 3.047781 -0.772781 1.332632
C -1.752566 -0.964222 -0.662370
C 0.711687 2.005218 0.601492
C 1.801925 1.473823 -1.525644
C 4.268154 -0.931808 -0.614650
C -4.004308 -0.815246 -0.554950
C -3.393101 -0.500242 0.707496
C 0.933465 3.381938 0.371634
C 2.020536 2.848893 -1.753728
C 5.527771 -0.785858 -1.395081
C 1.590851 3.807327 -0.804580
C -5.399249 -0.798129 -0.746659
C -4.199159 -0.156328 1.814713
C -6.188319 -0.450708 0.373042
C -5.598499 -0.136344 1.631291
H 0.284129 -0.537155 0.860834
H 1.855992 -2.322464 0.383229
H 0.190387 1.674836 1.506722
H 2.112171 0.734038 -2.271227
H -2.977213 -1.335298 -2.403501
H 0.589464 4.118178 1.106340
H 2.518252 3.176219 -2.673679
H 5.875951 0.262013 -1.367511
H 5.351940 -1.087976 -2.437895
H 6.328740 -1.409124 -0.959961
H -5.861163 -1.039363 -1.709647
H 1.759573 4.874912 -0.985469
H -3.742547 0.081825 2.780027
H -7.278671 -0.423279 0.271023
H -6.248275 0.125236 2.473421


