%chk=000162319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162319

0 1
 S    6.177700      7.2999999E-02 -0.3545000    
 O    6.781600       1.377100     -0.5881000    
 O    6.718200     -0.7990000      0.6794000    
 O    2.296600      -2.409200       2.102200    
 O   0.4580000      -1.229600       1.885100    
 N   -3.821600      0.3935000     -9.8200001E-02
 N   -3.620100       1.554400      0.5484000    
 N  -0.2847000      0.4054000     -0.2775000    
 N   0.3866000      0.9188000      0.6459000    
 N    1.680700      -1.405700       1.672200    
 N   -1.592100       2.705500       1.093400    
 C    4.474200      0.3147000     -5.7000000E-02
 C    6.234500     -0.8370000      -1.881600    
 C   -2.671800     -0.2178000     -0.5043000    
 C    3.754500     -0.6266000      0.6791000    
 C    3.833000       1.449000     -0.5552000    
 C    2.393700     -0.4333000      0.9171000    
 C   -1.669600      0.6034000     -9.2399999E-02
 C    1.752700      0.7010000      0.4192000    
 C    2.472300       1.642100     -0.3169000    
 C   -5.121400     -7.2600000E-02 -0.2961000    
 C    7.657700      -1.137300      -2.295700    
 C   -2.289900       1.675300      0.5470000    
 C   -2.649500      -1.502900      -1.232500    
 C   -5.355900      -1.439800     -0.3649000    
 C   -6.164600      0.8362000     -0.4182000    
 C   -6.655900      -1.906400     -0.5596000    
 C   -7.464600      0.3695000     -0.6128000    
 C   -7.710200      -1.001700     -0.6834000    
 H    5.676400      -1.767000      -1.736400    
 H    5.734900     -0.2350000      -2.646500    
 H    4.268800      -1.508100       1.053200    
 H    4.372000       2.191500      -1.136800    
 H    1.982300       2.529400     -0.7097000    
 H    7.670300      -1.694500      -3.237400    
 H    8.231600     -0.2161000      -2.437800    
 H    8.172600      -1.737700      -1.538900    
 H   -1.702000      -1.579900      -1.782600    
 H   -2.652400      -2.359800     -0.5528000    
 H   -3.419800      -1.590400      -2.003400    
 H   -4.621500      -2.201800     -0.1486000    
 H   -6.003900       1.910300     -0.3781000    
 H   -6.852900      -2.974300     -0.5853000    
 H   -8.285800       1.073600     -0.7102000    
 H   -2.056500       3.479800       1.557500    
 H  -0.5789000       2.764400       1.064600    
 H   -8.723300      -1.365100     -0.8285000    


%chk=000162319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162319

0 1
S 6.223155 0.479212 -1.255602
O 6.201433 0.872596 -2.847480
O 7.014659 1.381238 -0.141690
O 3.518326 0.217687 3.271888
O 1.359375 0.840874 2.958308
N -4.051397 -0.059529 0.018047
N -3.696104 0.308496 1.357302
N -0.532033 0.009441 -0.470478
N 0.365900 0.247323 0.497078
N 2.515188 0.490758 2.498166
N -1.562800 0.672552 2.405630
C 4.413254 0.343620 -0.712363
C 6.934770 -1.334320 -1.124187
C -2.969349 -0.209389 -0.817553
C 4.115160 0.439466 0.646118
C 3.425373 0.233589 -1.714311
C 2.754726 0.404399 1.037028
C -1.819520 0.040969 -0.008567
C 1.703910 0.278245 0.061671
C 2.084027 0.195993 -1.317586
C -5.453956 -0.165312 -0.261866
C 8.397940 -1.295786 -1.551530
C -2.334552 0.357485 1.332523
C -2.978001 -0.500430 -2.286801
C -5.940891 -1.020984 -1.281964
C -6.356731 0.586787 0.531944
C -7.328819 -1.090831 -1.527081
C -7.740051 0.504157 0.277664
C -8.233921 -0.327336 -0.755424
H 6.778799 -1.600434 -0.066414
H 6.281119 -1.921399 -1.788975
H 4.895751 0.568145 1.402006
H 3.721294 0.211407 -2.768948
H 1.278532 0.108644 -2.051362
H 8.828119 -2.311306 -1.473366
H 8.498899 -0.956855 -2.596745
H 8.982310 -0.622491 -0.901232
H -2.005236 -0.189174 -2.700842
H -3.093972 -1.579627 -2.501398
H -3.784653 0.038878 -2.812993
H -5.260375 -1.653760 -1.855895
H -5.957461 1.211214 1.334007
H -7.701927 -1.756741 -2.312446
H -8.434202 1.090306 0.889128
H -1.996907 0.894092 3.300639
H -0.537134 0.675146 2.277002
H -9.310030 -0.387715 -0.948655


