%chk=000151442.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151442

0 1
 S   -6.225200      -1.846900     -0.7581000    
 O   -6.122700       2.899800      -1.223600    
 O    1.579100     -0.9157000      -1.227400    
 O    8.690300      0.8088000      0.7215000    
 O    8.519600      1.9900000E-02  -1.403300    
 N   -4.971000       1.164800     -0.1504000    
 N   -7.199300       1.318800      0.1289000    
 N    2.465300     -6.7100003E-02  0.7755000    
 C   -5.287100      8.9000002E-02  0.7700000    
 C   -6.825800      0.1473000      0.8970000    
 C   -4.855100      -1.300700      0.2943000    
 C   -7.467700      -1.118300      0.3329000    
 C   -3.519600      -1.364200     -0.4282000    
 C   -2.372400     -0.9115000      0.4744000    
 C   -6.101100       1.910700     -0.5038000    
 C   -1.035300     -0.9446000     -0.2666000    
 C   0.1065000     -0.4602000      0.6243000    
 C    1.458400     -0.5171000     -7.3700003E-02
 C    3.849300      3.1199999E-02  0.4964000    
 C    4.318300     -0.3497000     -0.7499000    
 C    4.705300      0.5061000       1.476000    
 C    5.682600     -0.2528000      -1.024400    
 C    6.069400      0.6032000       1.201500    
 C    6.558000      0.2236000     -4.8700001E-02
 C    7.980200      0.3258000     -0.3347000    
 H   -4.807000      0.3406000       1.722700    
 H   -7.150000      0.3194000       1.928700    
 H   -4.835500      -1.981000       1.154800    
 H   -8.402400     -0.9298000     -0.2032000    
 H   -7.665500      -1.833900       1.137300    
 H   -3.533300     -0.7540000      -1.340200    
 H   -3.325600      -2.395900     -0.7502000    
 H   -4.030400       1.414400     -0.4390000    
 H   -8.146500       1.678100      6.3900001E-02
 H   -2.320000      -1.563200       1.355200    
 H   -2.544800      0.1064000      0.8401000    
 H   -1.092500     -0.3151000      -1.163400    
 H  -0.8303000      -1.966300     -0.6097000    
 H  -7.6300003E-02  0.5754000      0.9353000    
 H   0.1629000      -1.079700       1.527600    
 H    2.191100      0.2297000       1.709800    
 H    3.706000     -0.7270000      -1.555300    
 H    4.334600      0.8043000       2.452800    
 H    6.044700     -0.5531000      -2.004400    
 H    6.715400      0.9795000       1.989800    
 H    9.647800      0.8743000      0.5181000    


%chk=000151442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000151442

0 1
S -6.157598 -1.371030 -1.474912
O -6.073990 3.329099 -0.407373
O 1.788056 -2.035630 -0.262954
O 8.691290 1.450401 0.102585
O 8.729027 -0.532905 -1.106462
N -5.045289 1.313207 0.335460
N -7.273906 1.396230 0.301489
N 2.482459 -0.053118 0.789477
C -5.420136 -0.016945 0.819265
C -7.009632 0.029374 0.759129
C -4.900984 -1.200991 -0.053653
C -7.522286 -1.072039 -0.209723
C -3.470917 -1.051002 -0.598340
C -2.393272 -0.950995 0.510615
C -6.126347 2.145457 0.019440
C -0.964825 -0.942706 -0.076690
C 0.125245 -0.763192 1.007402
C 1.528936 -1.019684 0.444772
C 3.863619 -0.005743 0.462619
C 4.512121 -1.005960 -0.315502
C 4.610513 1.105410 0.948367
C 5.884788 -0.879471 -0.590173
C 5.980115 1.221337 0.666337
C 6.632448 0.226019 -0.108043
C 8.075965 0.302330 -0.433222
H -5.072401 -0.170697 1.860979
H -7.446818 -0.142014 1.762876
H -4.982161 -2.129383 0.546563
H -8.434073 -0.760184 -0.743242
H -7.717560 -2.012248 0.335844
H -3.425878 -0.161679 -1.256571
H -3.241331 -1.926286 -1.236683
H -4.090593 1.648446 0.249612
H -8.200992 1.776700 0.132303
H -2.495159 -1.809314 1.207055
H -2.550418 -0.036291 1.120353
H -0.873546 -0.135045 -0.830200
H -0.769319 -1.893383 -0.606708
H 0.046353 0.238823 1.473854
H -0.044500 -1.508104 1.811166
H 2.140413 0.726778 1.356267
H 3.934379 -1.853104 -0.687407
H 4.112065 1.878535 1.547112
H 6.401010 -1.639078 -1.186353
H 6.555314 2.073789 1.036995
H 9.652217 1.439589 -0.153128


