%chk=000048524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048524

0 1
 S   -1.825300      0.5200000      0.1328000    
 O   0.1490000     -0.3103000       2.209700    
 O    2.692800      0.9208000      -1.540400    
 O    2.412900      -3.468200     -0.2314000    
 N    1.200300      -1.897900      0.9303000    
 N    2.471600      -1.282800     -0.9426000    
 C   0.9132000      0.3569000      7.1999999E-03
 C  -0.3388000      0.2407000     -0.8805000    
 C    1.019300       1.789700      0.5496000    
 C   0.7294000     -0.6154000       1.168200    
 C    2.118200      5.6800000E-02 -0.8787000    
 C  -0.2904000       1.240500      -2.024000    
 C   -3.064200      0.3199000      -1.166900    
 C    2.298400       1.980300       1.294900    
 C   -4.495500      0.4942000     -0.6596000    
 C    2.040300      -2.301000     -0.1008000    
 C   -4.903000     -0.5352000      0.3979000    
 C    3.236100       2.867400      0.9443000    
 C   -6.364400     -0.3763000      0.7899000    
 H  -0.4065000     -0.7724000      -1.296600    
 H   0.9791000       2.537500     -0.2497000    
 H   0.2110000       2.043300       1.245100    
 H  -0.5159000       2.269000      -1.722600    
 H   -1.019800      0.9716000      -2.796600    
 H   0.6537000       1.248800      -2.570200    
 H   -2.952200     -0.6678000      -1.626200    
 H   -2.919400       1.079900      -1.938500    
 H   0.9720000      -2.601800       1.626700    
 H    3.180100      -1.533200      -1.626600    
 H    2.467400       1.381900       2.186300    
 H   -5.173900      0.4106000      -1.518300    
 H   -4.627900       1.507400     -0.2588000    
 H   -4.292200     -0.4315000       1.300700    
 H   -4.744000      -1.548200      1.0400000E-02
 H    4.141700       2.968900       1.532400    
 H    3.122900       3.503300      7.3299997E-02
 H   -6.637200      -1.120200       1.545100    
 H   -7.020400     -0.5152000     -7.5300001E-02
 H   -6.552100      0.6177000       1.208300    


%chk=000048524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048524

0 1
S -1.940428 1.026380 -0.021165
O 0.127406 0.247038 2.283672
O 2.810116 0.621230 -1.624786
O 1.594261 -3.540357 0.046568
N 0.695360 -1.628108 1.053764
N 2.125873 -1.432048 -0.814881
C 0.905780 0.614781 -0.039200
C -0.357588 0.594857 -1.016166
C 1.299065 2.063875 0.380012
C 0.552644 -0.230389 1.205561
C 2.044546 -0.026015 -0.867917
C -0.208021 1.523112 -2.234114
C -3.234828 0.529278 -1.326816
C 2.412791 2.121959 1.410069
C -4.613148 0.367171 -0.657728
C 1.466219 -2.291854 0.085450
C -4.719293 -0.839064 0.303923
C 3.680043 2.523896 1.140665
C -6.118916 -0.957147 0.943834
H -0.510218 -0.450631 -1.348764
H 1.611539 2.600332 -0.530670
H 0.390626 2.550517 0.781680
H -0.245088 2.582172 -1.930114
H -1.036625 1.347409 -2.941796
H 0.741490 1.346326 -2.770778
H -2.902446 -0.422453 -1.782457
H -3.260969 1.315106 -2.100549
H 0.315576 -2.217779 1.801547
H 2.789320 -1.884401 -1.452440
H 2.137962 1.830335 2.432900
H -5.367351 0.255713 -1.464488
H -4.875110 1.299398 -0.117444
H -3.949764 -0.744381 1.093413
H -4.484197 -1.768236 -0.254814
H 4.445413 2.562124 1.924520
H 3.987449 2.816252 0.129142
H -6.178547 -1.828840 1.620502
H -6.904206 -1.073486 0.172740
H -6.360436 -0.054371 1.535925


