%chk=000031030.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031030

0 1
 S   0.2629000      3.0700000E-02   2.277700    
 S   -4.051400       2.475400       1.014200    
 O   -1.051900      -2.092700      -1.646100    
 O    4.638100      0.4886000      0.6172000    
 O    2.612000      -1.511300      -2.272600    
 O   -3.859300      -2.111300     -0.1102000    
 O    1.229000      0.2467000      -2.749600    
 O    6.031500       1.981000     -0.4639000    
 N   0.4557000      -1.224500     -5.4099999E-02
 N   -2.265000      -1.138400       1.267500    
 C   0.2294000      -1.519400       1.349100    
 C   -1.162500      -2.031100      0.9180000    
 C  -0.6393000      -1.852000     -0.5357000    
 C    1.515300     -0.5111000     -0.5148000    
 C    2.287000      0.2268000      0.3184000    
 C    1.985500      0.4050000       1.804800    
 C    3.526500      0.9792000     -0.1021000    
 C   -3.539000      -1.257000      0.7146000    
 C    1.747500     -0.5237000      -1.966700    
 C   -4.527100     -0.2335000       1.237000    
 C   -4.498100      0.9767000      0.3458000    
 C    5.845400       1.078900      0.3416000    
 C   -4.794500       1.040200     -0.9829000    
 C   -4.652000       2.367400      -1.481300    
 C   -4.252700       3.248400     -0.5005000    
 C    6.927100      0.4610000       1.174500    
 H   0.8919000      -2.304800       1.732000    
 H   -1.362600      -3.072100       1.191300    
 H    2.162400       1.445300       2.098100    
 H    2.657100     -0.2283000       2.394600    
 H   -2.113800     -0.3941000       1.944000    
 H    3.722500      0.8778000      -1.174700    
 H    3.388100       2.046900      0.1098000    
 H   -4.297700      6.6000000E-03   2.281500    
 H   -5.527600     -0.6817000       1.225200    
 H    2.796600      -1.555300      -3.235100    
 H   -5.101100      0.1930000      -1.582700    
 H   -4.833500       2.661100      -2.507000    
 H   -4.069700       4.308900     -0.6009000    
 H    7.008700     -0.6041000      0.9436000    
 H    6.707800      0.6096000       2.234800    
 H    7.882100      0.9422000      0.9448000    


%chk=000031030-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031030

0 1
S 0.189209 0.358588 1.360880
S -3.980507 1.843578 2.164420
O -0.897683 -1.655839 -2.520621
O 4.897738 0.466061 0.482021
O 1.991241 -2.552484 -2.769003
O -3.573204 -2.823430 1.334252
O 3.214915 -0.620631 -3.177881
O 4.679129 2.708182 1.110103
N 0.713311 -1.438425 -0.687482
N -2.426056 -1.075518 0.306338
C 0.140328 -1.405635 0.675242
C -1.240346 -1.855302 0.060399
C -0.543278 -1.672587 -1.334358
C 1.932716 -0.857711 -1.095024
C 2.589784 0.043004 -0.279923
C 2.065894 0.479919 1.080141
C 3.918077 0.667281 -0.642701
C -3.540004 -1.627470 0.924102
C 2.449430 -1.280227 -2.433077
C -4.770058 -0.698870 1.044043
C -4.538293 0.769644 0.812839
C 5.232166 1.593804 1.250239
C -4.679314 1.504652 -0.359061
C -4.353879 2.905176 -0.223157
C -3.961777 3.255279 1.057825
C 6.335511 1.252729 2.225218
H 0.625070 -2.087288 1.389596
H -1.476607 -2.907053 0.301657
H 2.313950 1.542880 1.245523
H 2.554142 -0.102022 1.882387
H -2.465559 -0.095068 0.011501
H 4.384079 0.212358 -1.525070
H 3.802694 1.757213 -0.799093
H -5.207914 -0.899014 2.037717
H -5.507779 -1.072114 0.307796
H 2.280477 -2.773467 -3.694915
H -5.016558 1.053256 -1.296608
H -4.412412 3.621996 -1.045384
H -3.663690 4.227642 1.445629
H 7.285055 1.118388 1.676810
H 6.118407 0.302822 2.741079
H 6.452892 2.066703 2.954802


