%chk=000060544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060544

0 1
 S   -4.804700      -1.034300     -0.2186000    
 O    2.233600      -1.349200     -0.7054000    
 O   -2.461400      -4.072300      0.2433000    
 O  -0.3448000      -1.516800      -1.398500    
 O    7.444100       1.362400       1.505600    
 O    7.553500       1.977000     -0.5990000    
 N   -2.431200      -1.743300      0.3849000    
 N   -1.115000      -1.654000      0.7477000    
 N   -2.789000      0.5990000      0.4214000    
 N    6.980600       1.372500      0.3396000    
 C   -4.458900      -2.817200     -0.2266000    
 C   -3.183300     -0.6137000      0.2452000    
 C   -3.007600      -2.977600      0.1578000    
 C  -0.1116000      -1.542200     -0.1892000    
 C    1.302900      -1.450200      0.3535000    
 C   -3.759900       1.595600      0.2146000    
 C    3.404600     -0.6777000     -0.4478000    
 C    3.927200     -0.6830000      0.8386000    
 C    4.048600     -4.3000001E-03  -1.477000    
 C    5.771000      0.6780000      7.3899999E-02
 C   -4.551600       2.017500       1.277600    
 C   -3.920400       2.150200      -1.050800    
 C    5.116000     -1.8000000E-03   1.100500    
 C    5.237300      0.6768000      -1.214900    
 C   -5.514900       3.005100       1.072800    
 C   -4.883800       3.138000      -1.255500    
 C   -5.681000       3.565400     -0.1936000    
 H   -4.622100      -3.226900      -1.226300    
 H   -5.091700      -3.325900      0.5047000    
 H  -0.9257000      -1.674900       1.744800    
 H    1.503800      -2.354400      0.9388000    
 H    1.319400     -0.5673000       1.006000    
 H    3.461600      -1.222300       1.657700    
 H    3.635100     -3.3000000E-03  -2.481400    
 H   -4.427700       1.588100       2.268200    
 H   -3.302300       1.824800      -1.883300    
 H    5.505800     -2.6900001E-02   2.115000    
 H    5.719900       1.195600      -2.039400    
 H   -6.135500       3.338200       1.899500    
 H   -5.013000       3.574600      -2.241600    
 H   -6.431000       4.334500     -0.3530000    


%chk=000060544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060544

0 1
S -4.791820 -1.617473 -0.946199
O 1.645021 -0.469175 -0.381521
O -1.530997 -3.517989 -2.287790
O -0.879679 -0.001121 -2.954236
O 7.710829 1.159262 0.829391
O 7.214826 -0.111178 2.660439
N -2.107359 -1.617140 -1.021030
N -0.795495 -1.170717 -0.924296
N -2.927690 0.195039 0.259621
N 6.902026 0.433831 1.530460
C -3.902695 -2.999745 -1.883070
C -3.166657 -0.829446 -0.473151
C -2.399677 -2.775783 -1.780454
C -0.265326 -0.360630 -1.918598
C 1.180086 0.077101 -1.667852
C -3.864505 1.107659 0.805394
C 2.956138 -0.202150 0.024196
C 3.869165 0.588550 -0.720711
C 3.338443 -0.782406 1.261708
C 5.537595 0.213890 1.009987
C -3.578253 1.649514 2.087132
C -5.024211 1.544641 0.104540
C 5.168257 0.796068 -0.220962
C 4.632562 -0.576191 1.759119
C -4.456856 2.582087 2.675439
C -5.888827 2.489930 0.695933
C -5.617227 3.006177 1.984481
H -4.204852 -2.973487 -2.941358
H -4.168789 -3.974251 -1.445604
H -0.255306 -1.384222 -0.081846
H 1.208816 1.183184 -1.656425
H 1.805159 -0.298442 -2.500292
H 3.584985 1.040521 -1.674582
H 2.611276 -1.387603 1.810142
H -2.668773 1.324234 2.601971
H -5.228380 1.172312 -0.905477
H 5.898121 1.399556 -0.766872
H 4.957422 -1.010469 2.707860
H -4.232241 2.985054 3.669116
H -6.774313 2.827330 0.145903
H -6.293898 3.737478 2.439295


