%chk=000169066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169066

1 1
 S   -2.298900       5.214000      0.3306000    
 O   -2.990100       6.107000     -0.8465000    
 O  -0.8742000       5.492200      0.3515000    
 O   -3.109600       5.317700       1.530700    
 N   -1.622000      -1.235400     -0.1039000    
 N    2.748400     -2.5400000E-02 -0.9296000    
 C   -1.400700      6.3900001E-02  0.5585000    
 C   -2.072800       1.164500     -0.2543000    
 C  -0.7219000      -1.635900      -1.004700    
 C   -1.860700       2.533300      0.3892000    
 C   -2.706800      -1.966900      0.2140000    
 C   -2.906500      -3.209500     -0.4271000    
 C    1.620900     -0.8293000     -0.6566000    
 C   0.4395000     -0.7918000      -1.304400    
 C   -2.562400       3.628800     -0.3984000    
 C  -0.8607000      -2.839700      -1.665900    
 C    3.937600     -0.1354000     -0.1382000    
 C   -1.964200      -3.634100      -1.373500    
 C    2.796100      0.9637000      -2.012200    
 C   -3.622600      -1.505200       1.164700    
 C    3.989200      -1.084500      0.9112000    
 C    1.725500      -1.801800      0.4310000    
 C   -4.038000      -3.970100     -9.2699997E-02
 C    2.829300      -1.935400       1.173900    
 C   -4.740800      -2.274200       1.484100    
 C    5.083000      0.6599000     -0.3413000    
 C   -4.948100      -3.502900      0.8579000    
 C    2.521600       2.363600      -1.489400    
 C    5.136200      -1.224100       1.707400    
 C    6.223400      0.5167000      0.4560000    
 C    6.250500     -0.4239000       1.478200    
 H  -0.3354000      0.2734000      0.6712000    
 H   -1.728700      3.4000002E-02   1.599900    
 H   -3.147600      0.9660000     -0.3404000    
 H   -1.681900       1.180100      -1.278000    
 H   -2.238200       2.520300       1.419100    
 H  -0.7863000       2.745000      0.4512000    
 H   0.2610000     -9.4300002E-02  -2.116400    
 H   -2.169200       3.669400      -1.419700    
 H   -3.642500       3.456800     -0.4401000    
 H  -0.1354000      -3.176100      -2.400700    
 H   -2.084000      -4.584800      -1.887700    
 H    3.742100      0.9224000      -2.565000    
 H    2.055100      0.7356000      -2.786200    
 H   -3.556500     -0.5512000       1.672700    
 H   0.8987000      -2.458300      0.6815000    
 H   -4.219600      -4.930900     -0.5691000    
 H    2.876600      -2.664700       1.975200    
 H   -5.457000      -1.913400       2.216800    
 H    5.142100       1.415200      -1.118300    
 H   -5.821700      -4.097900       1.108700    
 H    1.522200       2.419400      -1.043700    
 H    3.235300       2.685600     -0.7269000    
 H    2.560800       3.085500      -2.311400    
 H    5.169800      -1.955500       2.511500    
 H    7.091500       1.144100      0.2741000    
 H    7.136800     -0.5332000       2.095800    
 H   -2.482800       6.162600      -1.690300    


%chk=000169066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169066

1 1
S -1.182285 4.225412 -1.223419
O -1.985211 5.218064 -2.548080
O -0.544011 2.862446 -1.841235
O -0.211925 5.142864 -0.309065
N -1.972667 -1.072666 0.386891
N 2.731549 0.207035 -0.304348
C -2.199351 0.244286 1.045647
C -2.616019 1.337452 0.034631
C -0.674677 -1.405182 -0.047427
C -2.683140 2.738031 0.689644
C -3.082591 -1.940296 0.211427
C -2.870736 -3.248256 -0.349164
C 1.781682 -0.760614 0.054088
C 0.383361 -0.450381 0.034880
C -2.860306 3.874737 -0.320093
C -0.498374 -2.713246 -0.641483
C 4.126898 -0.022405 -0.188047
C -1.543852 -3.601996 -0.778776
C 2.272631 1.549456 -0.788221
C -4.403895 -1.562210 0.584695
C 4.598320 -1.316754 0.232244
C 2.278103 -2.037070 0.519980
C -3.970253 -4.141363 -0.500252
C 3.628128 -2.312517 0.594088
C -5.469069 -2.466199 0.430525
C 5.085295 0.990149 -0.484031
C -5.260831 -3.763815 -0.109106
C 2.173840 2.579527 0.354923
C 5.998524 -1.569375 0.319492
C 6.458617 0.711139 -0.393192
C 6.927144 -0.571437 0.003754
H -1.262865 0.526477 1.556781
H -2.956120 0.115004 1.837346
H -3.599193 1.086427 -0.406919
H -1.892548 1.356239 -0.800233
H -3.547206 2.798923 1.382194
H -1.787222 2.930038 1.314414
H 0.107518 0.603252 0.062913
H -3.550266 3.655153 -1.149663
H -3.075421 4.856109 0.130153
H 0.482831 -2.953007 -1.053283
H -1.382337 -4.573786 -1.257365
H 2.974786 1.887773 -1.566224
H 1.302657 1.431281 -1.294700
H -4.621965 -0.572277 0.989820
H 1.549554 -2.763590 0.882385
H -3.786021 -5.131849 -0.930565
H 3.974549 -3.281401 0.969418
H -6.476283 -2.157848 0.728851
H 4.780159 1.996115 -0.775553
H -6.101861 -4.453627 -0.222475
H 1.482136 2.238359 1.146421
H 3.154925 2.759407 0.827616
H 1.792639 3.538622 -0.034569
H 6.333490 -2.561545 0.641429
H 7.177868 1.502168 -0.628575
H 8.001030 -0.768494 0.067695
H -1.284333 5.666163 -3.104284


