%chk=000055988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055988

0 1
 S  -0.6838000       2.410600       1.549700    
 S   -2.998900       3.568300     -5.3300001E-02
 O   -4.416400       1.003900       1.002700    
 N   -3.336800      -1.231400     -0.1774000    
 N    1.681400       1.211800       1.245200    
 N   -3.403400     -2.6799999E-02 -0.8154000    
 N   0.4365000       1.825200     -0.6790000    
 N  -0.7633000       2.429600      -1.011500    
 C   -2.139300      -1.956500     -0.2005000    
 C   -2.096800      -3.300700      0.1926000    
 C    2.895200      0.7388000      0.7047000    
 C    5.296000     -0.1969000     -0.3646000    
 C  -0.9590000      -1.331600     -0.6232000    
 C  -0.8946000      -4.007400      0.1632000    
 C   -3.334500      -4.002000      0.6495000    
 C    3.654200     -0.1968000       1.407700    
 C    3.336600       1.206600     -0.5332000    
 C    4.854700     -0.6645000      0.8731000    
 C    4.537000      0.7386000      -1.067700    
 C   0.2431000      -2.038400     -0.6526000    
 C   0.2754000      -3.376200     -0.2594000    
 C    6.579900     -0.6964000     -0.9357000    
 C   0.5932000       1.757000      0.6194000    
 C   -3.948600       2.312700     -0.9518000    
 C   -3.963800       1.039900     -0.1405000    
 C   -1.444100       2.782800      5.7900000E-02
 H  -0.9478000     -0.3025000     -0.9579000    
 H  -0.8511000      -5.050400      0.4656000    
 H   -4.213100      -1.675200      6.2899999E-02
 H    3.320400     -0.5709000       2.372200    
 H    2.797900       1.959300      -1.099000    
 H   -4.079300      -4.027800     -0.1528000    
 H   -3.759300      -3.500800       1.525700    
 H   -3.131600      -5.039400      0.9375000    
 H    5.436000      -1.395000       1.429500    
 H    4.873800       1.114600      -2.030200    
 H    1.153000      -1.549900     -0.9885000    
 H    1.211400      -3.926400     -0.2838000    
 H    1.616300       1.079500       2.251700    
 H   -3.100000     -4.9000001E-03  -1.783200    
 H    7.060600      6.8099998E-02  -1.555500    
 H    7.289500     -0.9586000     -0.1435000    
 H    6.397500      -1.583100      -1.550800    
 H   -3.518700       2.162000      -1.946600    
 H   -4.980100       2.655600      -1.077300    


%chk=000055988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055988

0 1
S -0.085361 3.576304 1.670651
S -3.128636 3.145859 0.992685
O -5.400108 0.392311 -0.419111
N -3.350151 -1.363527 -0.343437
N 2.404389 2.428837 1.084115
N -3.111595 0.007201 -0.447356
N 0.427482 1.476807 0.053607
N -0.964924 1.657480 0.049393
C -2.346966 -2.333011 -0.336761
C -2.748806 -3.711191 -0.283760
C 3.443058 1.587995 0.575810
C 5.633916 0.002920 -0.348130
C -0.963299 -1.997079 -0.368554
C -1.745187 -4.701694 -0.265950
C -4.221125 -4.077995 -0.246797
C 4.766994 1.873355 1.000957
C 3.210808 0.511716 -0.317473
C 5.842253 1.089358 0.541088
C 4.304174 -0.259468 -0.764290
C 0.011207 -3.016959 -0.347636
C -0.367135 -4.376219 -0.297012
C 6.790917 -0.861231 -0.816788
C 1.055915 2.356159 0.842536
C -3.872800 2.321601 -0.586023
C -4.199014 0.840179 -0.464472
C -1.409524 2.664840 0.795093
H -0.629629 -0.955163 -0.403094
H -2.053007 -5.754015 -0.225953
H -4.351730 -1.574469 -0.330453
H 4.957837 2.708660 1.687802
H 2.195222 0.295945 -0.654073
H -4.763874 -3.708021 -1.140526
H -4.731278 -3.657823 0.643954
H -4.351320 -5.172288 -0.213491
H 6.858393 1.325626 0.878171
H 4.113801 -1.086701 -1.458837
H 1.071760 -2.738911 -0.365842
H 0.389265 -5.167520 -0.279858
H 2.716614 3.173042 1.709808
H -2.142242 0.402958 -0.379872
H 6.626691 -1.236353 -1.842325
H 7.744217 -0.304329 -0.806224
H 6.918761 -1.745261 -0.162029
H -3.158773 2.540467 -1.396408
H -4.811889 2.874010 -0.737236


