%chk=000049406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049406

0 1
 S   -4.487400       1.539400     -0.6827000    
 O   -5.635700       1.651200      0.2056000    
 O   -3.814100       2.744400      -1.148000    
 N    4.436200       2.651900      0.5027000    
 C   0.4185000     -9.8899998E-02 -1.8999999E-02
 C   -1.006400     -0.2313000      0.3602000    
 C    1.233400      -1.245800     -0.4794000    
 C   -1.424000      -1.198000       1.295000    
 C    2.467200       1.341500     -0.1407000    
 C    1.016500       1.097800      0.1311000    
 C   -1.965100      0.6005000     -0.2486000    
 C    1.306800      -2.434700      0.2713000    
 C   -3.315500      0.4955000      8.1400000E-02
 C    3.017100       2.441100      0.7669000    
 C  -0.5032000      -2.096900       2.012300    
 C   -2.788700      -1.278600       1.625700    
 C   0.6536000      -2.620900       1.578600    
 C   -3.726900     -0.4417000       1.021200    
 C    1.919700      -1.159200      -1.705200    
 C    2.100100      -3.492700     -0.2074000    
 C    2.688900      -2.224500      -2.170800    
 C    2.782100      -3.389900      -1.420100    
 C   -5.001600      0.6421000      -2.129900    
 C    4.979100       3.677600       1.394900    
 C    4.649200       3.030300     -0.8952000    
 H    2.530300       1.649600      -1.189300    
 H    3.085300      0.4507000      1.1700000E-02
 H   0.4367000       1.953900      0.4722000    
 H   -1.647100       1.326000     -0.9948000    
 H    2.447300       3.370100      0.6270000    
 H    2.882000       2.135500       1.813000    
 H  -0.8310000      -2.385500       3.010200    
 H   -3.138600      -2.004300       2.357900    
 H    1.174800      -3.294000       2.258300    
 H   -4.772900     -0.5464000       1.295200    
 H    1.840200     -0.2741000      -2.332500    
 H    2.191300      -4.417100      0.3603000    
 H    3.209300      -2.144900      -3.120600    
 H    3.383000      -4.221000      -1.777200    
 H   -5.443200     -0.3072000      -1.820700    
 H   -5.745200       1.244600      -2.655800    
 H   -4.134500      0.4764000      -2.772100    
 H    4.846300       3.385900       2.442700    
 H    4.500700       4.652200       1.244400    
 H    6.057300       3.793800       1.238100    
 H    5.688600       3.345700      -1.049800    
 H    4.003000       3.857700      -1.210100    
 H    4.512500       2.182600      -1.573700    


%chk=000049406-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049406

0 1
S -4.475866 1.633924 -0.773992
O -5.700446 1.907927 0.278412
O -3.618851 2.849618 -1.460295
N 4.425200 2.818596 0.379237
C 0.488093 -0.188912 -0.098394
C -0.952967 -0.330413 0.286826
C 1.239045 -1.417164 -0.505550
C -1.386687 -1.193298 1.350693
C 2.461774 1.459606 -0.447749
C 1.036686 1.067314 -0.131570
C -1.911801 0.494751 -0.358644
C 1.353233 -2.562627 0.349231
C -3.243304 0.472766 0.074298
C 3.013930 2.440937 0.618600
C -0.501108 -2.117755 2.067786
C -2.749041 -1.139359 1.775968
C 0.666598 -2.700510 1.639425
C -3.695691 -0.308798 1.149677
C 1.901281 -1.434444 -1.761748
C 2.184273 -3.646382 -0.063279
C 2.689808 -2.530725 -2.169077
C 2.843333 -3.641370 -1.305967
C -5.207123 0.597618 -2.210732
C 5.046999 3.418492 1.578649
C 4.611125 3.670902 -0.812535
H 2.491651 1.950312 -1.443375
H 3.127163 0.581089 -0.503771
H 0.381284 1.903053 0.162198
H -1.607099 1.167347 -1.167494
H 2.344309 3.341344 0.670802
H 2.960934 1.944631 1.606010
H -0.882413 -2.451596 3.042808
H -3.061188 -1.769450 2.616761
H 1.108924 -3.448100 2.313173
H -4.733154 -0.241455 1.492439
H 1.787750 -0.569459 -2.424017
H 2.291904 -4.509573 0.604655
H 3.190066 -2.513222 -3.143346
H 3.466412 -4.491863 -1.602480
H -5.699234 -0.274636 -1.759507
H -5.922573 1.269854 -2.704738
H -4.370363 0.324914 -2.868061
H 4.967253 2.718591 2.429364
H 4.580389 4.390037 1.883833
H 6.119542 3.602665 1.387468
H 5.686261 3.886891 -0.944571
H 4.066865 4.648302 -0.742505
H 4.262723 3.150033 -1.720616


