%chk=000003524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003524

0 1
 S    2.141700      -3.663300       1.060100    
 P    2.668100      -2.301900     -0.2062000    
 O    1.583800       1.424700       1.028500    
 O    1.486600      -1.503200     -0.9994000    
 O    3.427800     -0.9809000      0.3795000    
 O    3.646200      -2.746400      -1.420200    
 O    3.054200       3.777000      0.6739000    
 O   -4.962100       1.256500     -0.6179000    
 N  -0.5230000      0.8269000      0.1160000    
 N   -1.881400      -1.162600      0.4497000    
 N   -2.178300       2.218600     -0.4822000    
 N   -4.225100     -0.8410000      3.7000000E-02
 N   -3.353400      -2.925900      0.7071000    
 C    1.609600     -9.8099999E-02 -0.7940000    
 C    3.042300      0.1745000     -0.3810000    
 C   0.8267000      0.3607000      0.4268000    
 C    2.934200       1.392700      0.5190000    
 C    3.184000       2.692700     -0.2313000    
 C   -1.676200      0.1202000      0.1403000    
 C  -0.8787000       2.100000     -0.2684000    
 C   -2.677000      0.9728000     -0.2243000    
 C   -4.048000      0.5082000     -0.2938000    
 C   -3.202100      -1.602000      0.3807000    
 H    1.337700      0.4465000      -1.704100    
 H    3.743400      0.2766000      -1.214000    
 H   0.7210000     -0.4302000       1.178300    
 H    3.599200       1.324400       1.387200    
 H    2.459700       2.843500      -1.038400    
 H    4.192600       2.717300     -0.6542000    
 H  -0.1545000       2.895500     -0.3807000    
 H   -1.139400      -1.801100      0.7171000    
 H    3.924600      -2.073500      -2.077100    
 H    2.156200       3.742000       1.045500    
 H   -4.266000      -3.368200      0.6955000    
 H   -2.559900      -3.500400      0.9692000    


%chk=000003524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003524

0 1
S 1.397938 -3.124008 1.276468
P 2.324726 -2.241376 -0.321055
O 1.491507 1.827023 0.599883
O 1.328396 -1.247132 -1.405102
O 3.489610 -0.932018 -0.036235
O 3.098425 -3.365965 -1.336654
O 3.537655 3.720411 1.269820
O -5.295741 0.749422 -0.506060
N -0.637039 0.987068 -0.073370
N -1.738335 -1.193205 0.493659
N -2.510604 2.155458 -0.662850
N -4.149188 -1.173115 0.219291
N -3.045930 -3.116470 0.924240
C 1.554190 0.167141 -1.074941
C 3.029925 0.370535 -0.609248
C 0.743635 0.643547 0.169437
C 2.946675 1.457766 0.493883
C 3.701727 2.755516 0.191180
C -1.725249 0.129534 0.083430
C -1.182713 2.217516 -0.542756
C -2.874864 0.846703 -0.278907
C -4.202660 0.197326 -0.215218
C -3.023305 -1.792186 0.530335
H 1.289499 0.751931 -1.968212
H 3.720829 0.621851 -1.430558
H 0.782039 -0.141537 0.959139
H 3.273551 1.034143 1.461914
H 3.361591 3.168049 -0.783889
H 4.785125 2.553101 0.139695
H -0.557311 3.087969 -0.715777
H -0.885730 -1.730307 0.692029
H 3.585939 -2.987990 -2.116756
H 2.569291 3.889515 1.401841
H -3.959595 -3.562315 0.950576
H -2.209509 -3.651302 1.144968


