%chk=000055249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055249

0 1
 S    1.341000      -1.172100      -1.182500    
 O   -1.793300       1.000800     -0.3874000    
 O    2.560900      -1.044200     -0.1379000    
 O   -1.591500      -1.107200      -1.313900    
 O   0.6992000      -2.520900      -1.050400    
 N   0.3214000      8.7499999E-02 -0.6827000    
 N    4.751400      0.5834000       1.318100    
 C   -6.071400     -0.4148000       1.503400    
 C   -5.271900      0.1788000      0.3933000    
 C   -5.994600      0.4196000       2.796100    
 C   -5.675800      -1.873900       1.799500    
 C   -3.889700      0.3139000      0.5239000    
 C   -5.906300      0.5984000     -0.7759000    
 C   -3.179400      0.8650000     -0.5181000    
 C   -5.158500       1.153300      -1.814300    
 C   -3.776400       1.288500      -1.683700    
 C    4.688100      -1.766000      0.7345000    
 C    3.602100      -1.994800     -0.3109000    
 C    5.326600     -0.4039000      0.6100000    
 C   -1.060300     -0.1045000     -0.8381000    
 C    6.430800     -0.2624000     -0.2014000    
 C   0.8856000       1.307700     -0.1078000    
 C    6.995300       1.004900     -0.2944000    
 C    5.327500       1.801000       1.202700    
 C    6.439100       2.061700      0.4179000    
 H   -7.129400     -0.4335000       1.207900    
 H   -4.982700      0.4333000       3.215200    
 H   -6.665600      8.8999998E-03   3.558300    
 H   -6.293800       1.456700       2.607900    
 H   -4.651100      -1.951500       2.178700    
 H   -6.343500      -2.307500       2.551900    
 H   -5.745800      -2.487100      0.8942000    
 H   -3.375100     -5.4000001E-03   1.425100    
 H   -6.982000      0.5004000     -0.8944000    
 H   -5.652300       1.480300      -2.724700    
 H   -3.194100       1.720800      -2.491300    
 H    4.249300      -1.846100       1.737300    
 H    5.452800      -2.548400      0.6617000    
 H    4.023600      -1.904800      -1.320300    
 H    3.204300      -3.009500     -0.1868000    
 H    6.854000      -1.094000     -0.7534000    
 H    1.036900       1.145000      0.9633000    
 H    1.841800       1.538900     -0.5871000    
 H   0.2187000       2.162000     -0.2468000    
 H    7.866500       1.169000     -0.9213000    
 H    4.855500       2.591200       1.777300    
 H    6.862200       3.058100      0.3601000    


%chk=000055249-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055249

0 1
S 1.757101 -1.585581 3.385575
O -0.726372 1.107228 1.786370
O 2.510836 -2.167464 1.742665
O -0.717972 -1.270837 1.918453
O 3.013985 -1.055956 4.268411
N 0.930203 0.039407 2.927355
N 2.212973 0.682623 -0.167045
C -4.688952 -0.525574 -0.948547
C -3.804537 0.583756 -0.371677
C -5.382800 -1.342668 0.174503
C -3.890802 -1.459891 -1.896570
C -2.686043 0.251405 0.439200
C -4.089429 1.945600 -0.635001
C -1.884459 1.286698 0.963429
C -3.273419 2.970290 -0.099867
C -2.162808 2.648391 0.704348
C 4.131550 -0.412188 0.902227
C 3.925193 -1.802425 1.548394
C 3.272401 -0.172463 -0.325767
C -0.217150 -0.144953 2.170453
C 3.536747 -0.814414 -1.562967
C 1.632329 1.301780 3.153359
C 2.682652 -0.578701 -2.661488
C 1.392304 0.901753 -1.236890
C 1.583458 0.295859 -2.497957
H -5.483937 -0.037577 -1.548289
H -4.638634 -1.865028 0.803519
H -6.053060 -2.106619 -0.261526
H -5.982402 -0.688420 0.832758
H -3.090270 -1.991772 -1.350103
H -4.559055 -2.220846 -2.341105
H -3.419526 -0.889360 -2.717324
H -2.440444 -0.788592 0.660063
H -4.952750 2.205227 -1.259042
H -3.502784 4.021122 -0.307910
H -1.515877 3.418899 1.133810
H 3.911420 0.377366 1.639042
H 5.206266 -0.334221 0.641943
H 4.289923 -2.614408 0.891172
H 4.472511 -1.848457 2.512715
H 4.396401 -1.487245 -1.657277
H 2.513626 1.084231 3.788544
H 1.952146 1.730538 2.187403
H 0.974288 2.005352 3.691002
H 2.869059 -1.065983 -3.624626
H 0.553778 1.586013 -1.062582
H 0.892430 0.504700 -3.320354


