%chk=000041960.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041960

0 1
 S   -5.103900     -5.3300001E-02  0.6687000    
 O   0.9975000     -0.8000000      -1.935800    
 O   -5.413800      -1.397900       1.133600    
 O   -5.341800       1.086600       1.543600    
 N    2.910600      0.5127000     -0.4410000    
 N    5.322100     -0.2604000      0.9536000    
 C    2.960600     -0.7044000      0.3781000    
 C    3.846200       1.517900      7.7900000E-02
 C    4.385700      -1.265000      0.4352000    
 C    5.271600      0.9579000      0.1362000    
 C    1.551400       1.047300     -0.4943000    
 C    6.681500     -0.7952000       1.004800    
 C   0.6185000      1.7400000E-02  -1.099700    
 C  -0.8077000     -3.0000001E-04 -0.6593000    
 C   -1.389400       1.181700     -0.2625000    
 C   -1.484800      -1.198300     -0.6665000    
 C   -3.435800     -3.3199999E-02  0.1539000    
 C   -2.721800       1.165100      0.1499000    
 C   -2.817200      -1.214900     -0.2542000    
 C   -6.029700      0.2362000     -0.8222000    
 H    2.327000      -1.502800     -2.1000000E-02
 H    2.609000     -0.4992000       1.399000    
 H    3.542600       1.857900       1.077400    
 H    3.847800       2.396400     -0.5788000    
 H    4.385000      -2.142700       1.093100    
 H    4.689000      -1.605700     -0.5643000    
 H    5.632400      0.7612000     -0.8827000    
 H    5.925300       1.723600      0.5714000    
 H    1.214600       1.322500      0.5120000    
 H    1.515600       1.934500      -1.137200    
 H    7.368500     -5.7799999E-02   1.434400    
 H    7.054100      -1.077100      1.3400000E-02
 H    6.722900      -1.677900       1.652500    
 H  -0.8622000       2.130000     -0.2758000    
 H   -1.014000      -2.125700     -0.9778000    
 H   -3.187200       2.098600      0.4537000    
 H   -3.355600      -2.158500     -0.2648000    
 H   -5.749400       1.208600      -1.231600    
 H   -5.814100     -0.5623000      -1.534600    
 H   -7.091800      0.2311000     -0.5678000    


%chk=000041960-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041960

0 1
S -5.595762 0.204374 0.162492
O 0.944075 -1.772575 -0.687854
O -6.269666 -1.282688 0.268852
O -5.846609 1.374221 1.279621
N 2.907491 0.169083 0.004147
N 5.738579 0.019066 0.599762
C 3.453202 -0.919303 0.857286
C 3.737111 1.395534 0.118014
C 4.913979 -1.207825 0.480711
C 5.193762 1.090162 -0.265664
C 1.487565 0.442184 0.223077
C 7.169222 -0.236578 0.347019
C 0.532281 -0.670263 -0.233135
C -0.954084 -0.409933 -0.112844
C -1.487177 0.805682 0.397720
C -1.838623 -1.441209 -0.532942
C -3.713935 -0.036374 0.019018
C -2.883393 1.001581 0.469040
C -3.235154 -1.264998 -0.465779
C -6.115122 0.932159 -1.532559
H 2.850790 -1.827472 0.696230
H 3.406334 -0.637241 1.939832
H 3.723055 1.808370 1.158508
H 3.333379 2.165542 -0.566968
H 5.320605 -1.975811 1.164980
H 4.939057 -1.621446 -0.559211
H 5.227039 0.804023 -1.348438
H 5.806215 2.001957 -0.132680
H 1.244018 0.658579 1.301412
H 1.216344 1.361189 -0.335570
H 7.747701 0.691313 0.506716
H 7.378818 -0.601059 -0.691014
H 7.541281 -0.997230 1.056805
H -0.826053 1.602896 0.750357
H -1.402063 -2.373632 -0.905118
H -3.320644 1.913324 0.890077
H -3.933936 -2.059459 -0.748658
H -5.581206 1.884834 -1.651005
H -5.846855 0.191029 -2.297716
H -7.202319 1.072593 -1.454020


