%chk=000001538.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001538

0 1
 S  -0.7628000       1.114500      0.8555000    
 O    3.551800      -1.289900      0.5756000    
 O    3.272400      0.4874000     -0.9345000    
 O   -1.211600       2.461700      0.5553000    
 O  -0.4050000      0.7688000       2.218800    
 N   0.5303000      0.6941000     -0.2134000    
 N   -2.884000       1.628600      -1.274000    
 C    2.788800     -0.1088000      0.2800000    
 C    1.328800     -0.5050000      0.1001000    
 C    2.954400      0.8948000       1.414200    
 C    4.671600      -1.227300     -0.3070000    
 C    4.128600     -0.5007000      -1.506700    
 C   0.2850000      0.8450000      -1.674400    
 C   -2.050500      7.3000002E-03  0.3534000    
 C   -2.951600      0.3721000     -0.6328000    
 C   -2.123600      -1.227400      0.9778000    
 C   -3.954500     -0.5228000      -1.005600    
 C   -3.126600      -2.122200      0.6047000    
 C   -4.041900      -1.770000     -0.3868000    
 H   0.9702000      -1.009700       1.003600    
 H    1.228300      -1.247600     -0.7018000    
 H    2.576400      0.4932000       2.360200    
 H    4.016600       1.119200       1.568200    
 H    2.462800       1.849200       1.200800    
 H    5.040200      -2.230000     -0.5369000    
 H    5.463700     -0.6545000      0.1870000    
 H    4.903500     -3.3900000E-02  -2.119500    
 H    3.517500      -1.158400      -2.134100    
 H  -0.3860000      6.4999998E-02  -2.043100    
 H    1.219400      0.7768000      -2.236700    
 H  -0.1306000       1.832800      -1.887800    
 H   -1.420100      -1.527000       1.748300    
 H   -4.674600     -0.2617000      -1.777000    
 H   -3.194000      -3.093900       1.085200    
 H   -4.822500      -2.467000     -0.6775000    
 H   -3.561100       1.855900      -1.990800    
 H   -2.190200       2.316300      -1.024100    


%chk=000001538-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001538

0 1
S -0.950241 1.103287 1.007651
O 3.609772 -1.152022 0.801368
O 3.416300 0.255133 -1.105112
O -1.474286 2.634259 0.750221
O -0.541497 0.584969 2.493885
N 0.650018 0.980727 -0.004068
N -3.297292 1.671449 -1.100837
C 2.954988 0.090094 0.303027
C 1.435109 -0.216202 0.359797
C 3.382624 1.317905 1.095204
C 4.624601 -1.547354 -0.199909
C 4.019644 -1.032355 -1.516037
C 0.378950 1.170813 -1.447741
C -2.234811 -0.080744 0.286812
C -3.191945 0.359380 -0.680494
C -2.161471 -1.405318 0.761350
C -4.062888 -0.658084 -1.193594
C -3.041669 -2.375214 0.244055
C -3.982252 -1.985974 -0.745315
H 1.202083 -0.484989 1.406896
H 1.222291 -1.089335 -0.294788
H 3.060259 1.218799 2.145390
H 4.479349 1.423533 1.057562
H 2.909206 2.219666 0.674969
H 4.728009 -2.642533 -0.144789
H 5.593492 -1.058154 0.019017
H 4.760010 -0.808049 -2.299602
H 3.245801 -1.723690 -1.904973
H -0.165438 0.319501 -1.914385
H 1.363023 1.268411 -1.937870
H -0.189903 2.103367 -1.592716
H -1.438624 -1.654149 1.546251
H -4.814019 -0.373414 -1.940239
H -3.002222 -3.406223 0.606400
H -4.672792 -2.729367 -1.159315
H -4.024065 1.930612 -1.762816
H -2.771013 2.396165 -0.591054


