%chk=000033283.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033283

1 1
 S   -3.260700       1.556100      -1.776800    
 O  -0.6324000      0.9326000      -1.174700    
 O   -1.713300       1.837800       1.796800    
 N    3.699900      0.3541000     -0.3143000    
 N   0.4596000       1.071200       1.490100    
 C    2.613700       1.208800      0.3227000    
 C    4.268900     -0.6011000      0.7248000    
 C    4.810200       1.253300     -0.8386000    
 C    3.107000     -0.4443000      -1.466400    
 C    1.494000      0.3203000      0.8321000    
 C    5.348000      -1.447500      8.5800000E-02
 C    4.238700       2.200300      -1.871100    
 C  -0.9140000       1.154500       1.143200    
 C   -1.409000      0.3775000     -0.1046000    
 C   0.9016000       1.834900       2.666600    
 C   -1.201900      -1.137600     -4.2599998E-02
 C   -2.900700      0.6896000     -0.3844000    
 C  -0.8938000      -1.808100      -1.203700    
 C   -1.331200      -1.770900       1.172100    
 C   -3.935900      0.3345000      0.3802000    
 C   -5.147800      0.8023000     -0.2050000    
 C  -0.7048000      -3.189000      -1.147300    
 C   -1.142000      -3.151700       1.228400    
 C   -4.925200       1.482900      -1.381800    
 C  -0.8288000      -3.860700      6.8599999E-02
 H    2.198700       1.891700     -0.4235000    
 H    3.089600       1.793500       1.117200    
 H    3.485500      -1.276000       1.075400    
 H    4.656700     -1.2300000E-02   1.563100    
 H    5.576500      0.6427000      -1.322400    
 H    5.248000       1.793300      8.1000002E-03
 H    2.359400      0.1612000      -1.987500    
 H    3.900000     -0.7187000      -2.169300    
 H    2.635400      -1.353700      -1.080700    
 H    1.107400     -0.3264000      6.1200000E-02
 H    1.847900     -0.3574000       1.614400    
 H    5.658900      -2.211300      0.8097000    
 H    5.027300      -1.993400     -0.8043000    
 H    6.256400     -0.8840000     -0.1427000    
 H    5.070900       2.747200      -2.332000    
 H    3.712100       1.711000      -2.693500    
 H    3.596600       2.971500      -1.437600    
 H    1.387700       2.753900       2.327600    
 H   5.9099998E-02   2.109300       3.306900    
 H    1.600300       1.234900       3.257200    
 H   0.1561000      0.4077000      -1.369200    
 H  -0.8163000      -1.317400      -2.168500    
 H   -1.582100      -1.239900       2.084600    
 H   -3.885400     -0.2178000       1.308800    
 H   -6.132800      0.6488000      0.2164000    
 H  -0.4667000      -3.742200      -2.051200    
 H   -1.240500      -3.675300       2.174900    
 H   -5.660500       1.941200      -2.028100    
 H  -0.6831000      -4.936000      0.1123000    


%chk=000033283-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033283

1 1
S -0.472652 -0.235233 -2.431176
O 0.478791 -1.920227 -0.198285
O -1.416522 -0.181098 2.423933
N 3.509621 1.058659 -0.503163
N 0.878522 -0.087803 2.109125
C 2.316266 1.086843 0.483647
C 4.824371 0.891694 0.308752
C 3.556976 2.416035 -1.260910
C 3.347090 -0.092920 -1.495346
C 2.116283 -0.208327 1.315745
C 6.115499 0.857873 -0.517409
C 2.327820 2.735536 -2.118251
C -0.411330 -0.449223 1.702641
C -0.689586 -1.126099 0.303935
C 1.022475 0.556590 3.437866
C -1.873093 -2.105204 0.446180
C -0.933332 -0.003759 -0.690640
C -3.016587 -2.039054 -0.380904
C -1.759911 -3.155859 1.397196
C -1.603531 1.197828 -0.510009
C -1.758153 1.967581 -1.723272
C -4.031375 -3.016524 -0.267418
C -2.771900 -4.131182 1.507260
C -1.211340 1.354471 -2.837957
C -3.911327 -4.065229 0.670972
H 1.409638 1.251135 -0.119432
H 2.475629 1.963405 1.137022
H 4.714130 -0.050989 0.868627
H 4.838354 1.725789 1.032756
H 4.457985 2.376098 -1.893867
H 3.711027 3.186581 -0.484424
H 2.299442 -0.143510 -1.827660
H 4.011539 0.076380 -2.355170
H 3.613209 -1.038702 -1.001890
H 2.025565 -1.082047 0.654532
H 2.947888 -0.364284 2.025755
H 6.949607 0.652204 0.176573
H 6.118892 0.050458 -1.268535
H 6.344447 1.814260 -1.014441
H 2.523001 3.695599 -2.628500
H 2.149034 1.982359 -2.902834
H 1.400464 2.862009 -1.537114
H 1.398082 1.593443 3.346392
H 0.034037 0.585094 3.918510
H 1.719312 -0.026403 4.067084
H 0.191326 -2.869125 -0.235819
H -3.125999 -1.224065 -1.102824
H -0.899740 -3.193538 2.077560
H -2.007147 1.498946 0.460439
H -2.273301 2.930333 -1.763931
H -4.916499 -2.955523 -0.909263
H -2.681129 -4.930736 2.249906
H -1.197049 1.693525 -3.872832
H -4.701614 -4.818164 0.758266


