%chk=000131303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131303

0 1
 S   -4.594300      0.2191000     -0.7977000    
 O    1.317000     -0.7222000     -8.0499999E-02
 O  -0.7689000       2.061300       1.686700    
 O    2.568900      -2.314900       1.023800    
 O   -5.020000       1.415600     -7.3299997E-02
 O   -4.583900      0.3503000      -2.253900    
 O   -5.148900      -1.036800     -0.2951000    
 N    3.211700       1.578000     -0.8965000    
 N   -1.248100     -0.1964000       1.422300    
 C    1.994500       1.592400     -4.7400001E-02
 C    1.870700      0.2965000      0.7530000    
 C    3.319900       2.871000      -1.716300    
 C    3.180500      0.3946000      -1.873400    
 C    4.475800       1.452300     -3.4899998E-02
 C    1.000200      0.4331000       2.004600    
 C  -0.4197000      0.8841000       1.691200    
 C    1.758000      -1.993000      0.1663000    
 C   -2.649300     -5.4800000E-02   1.098800    
 C    1.080800      -2.943700     -0.7928000    
 C   -2.880200      9.2299998E-02 -0.3929000    
 C    1.535600      -4.378700     -0.5919000    
 H    2.076700       2.459500      0.6190000    
 H    1.130000       1.736700     -0.7073000    
 H    2.844800     -1.3600000E-02   1.135100    
 H    2.431500       2.946500      -2.350100    
 H    3.368000       3.712100      -1.018600    
 H    4.225300       2.827600      -2.328700    
 H    2.202400      0.3676000      -2.362100    
 H    3.962700      0.5570000      -2.622400    
 H    3.407400     -0.5315000      -1.343900    
 H    5.338500       1.693500     -0.6647000    
 H    4.406900       2.166500      0.7906000    
 H    4.594900      0.4290000      0.3270000    
 H   0.9545000     -0.5190000       2.547600    
 H    1.436700       1.167800       2.691700    
 H  -0.8619000      -1.135800       1.432000    
 H   -3.152900     -0.9469000       1.485400    
 H   -3.049300      0.8092000       1.640900    
 H   -2.381800      0.9891000     -0.7774000    
 H   -2.475600     -0.7706000     -0.9338000    
 H    1.315000      -2.629200      -1.815400    
 H  -1.3000000E-03  -2.879800     -0.6366000    
 H    2.615800      -4.473700     -0.7448000    
 H    1.309300      -4.724500      0.4222000    
 H    1.029700      -5.041600      -1.300500    


%chk=000131303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131303

0 1
S -1.922044 0.509214 -1.471626
O 1.164310 -1.192051 0.679600
O -0.782390 1.711673 3.229924
O 3.150770 -2.199326 0.005542
O -2.952592 0.604618 -2.727012
O -0.568596 1.501203 -1.612096
O -1.446934 -1.025586 -1.031938
N 2.538829 1.276232 -1.035174
N -1.140437 0.127960 1.551540
C 1.685178 1.210404 0.257709
C 1.849877 0.018555 1.214080
C 2.207251 2.634410 -1.666130
C 2.139609 0.204124 -2.059805
C 4.022866 1.167109 -0.731700
C 1.128566 0.342592 2.546055
C -0.352909 0.795118 2.457372
C 1.900629 -2.245796 0.122707
C -2.563090 0.436547 1.345091
C 0.953138 -3.338505 -0.320735
C -2.825356 1.281244 0.092226
C 1.621779 -4.397887 -1.213699
H 1.942147 2.126761 0.820780
H 0.638949 1.288997 -0.114703
H 2.905818 -0.245304 1.412952
H 1.123849 2.629017 -1.886404
H 2.463719 3.435111 -0.954333
H 2.796232 2.744725 -2.590154
H 1.039138 0.235955 -2.149114
H 2.613815 0.472443 -3.018136
H 2.513929 -0.769814 -1.725281
H 4.586857 1.335264 -1.662904
H 4.298317 1.929537 0.014615
H 4.235465 0.155664 -0.351464
H 1.181483 -0.557303 3.186922
H 1.663120 1.151661 3.073670
H -0.749825 -0.572095 0.899136
H -3.114844 -0.516637 1.272633
H -2.920316 0.995025 2.229656
H -3.889609 1.294181 -0.189956
H -2.396202 2.292791 0.144771
H 0.094635 -2.840101 -0.817342
H 0.531265 -3.804112 0.592766
H 1.975652 -3.956952 -2.162128
H 2.490155 -4.859412 -0.712968
H 0.895398 -5.191253 -1.459647


