%chk=000107891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107891

0 1
 S   0.2837000      3.5599999E-02  -2.154000    
 O   -1.064000       1.822900       1.269000    
 O  -5.0500002E-02 -0.5220000       1.930500    
 O   -5.905900      -1.375100     -0.6200000    
 O   0.5989000       2.192000       2.829600    
 N    1.844200     -0.2455000      0.6136000    
 N    3.839600      -3.313000       1.390500    
 C  -0.7697000      0.9968000      -1.000000    
 C  -0.1096000       1.284300      0.3578000    
 C   0.5387000      7.2300002E-02   1.022300    
 C    2.528600      0.3843000     -0.4806000    
 C   -2.149800      0.3592000     -0.8980000    
 C    2.602600      -1.203700       1.418000    
 C    1.907300      0.6468000      -1.719700    
 C    3.062800      -2.386000      0.5778000    
 C    3.883800      0.7343000     -0.3256000    
 C   -2.290100     -0.9019000     -0.3239000    
 C   -3.265200       1.040400      -1.379100    
 C    2.633000       1.276300      -2.745600    
 C    4.590400       1.367300      -1.349500    
 C    3.962800       1.645300      -2.556500    
 C   -3.553500      -1.485600     -0.2304000    
 C   -4.528700      0.4568000      -1.285500    
 C   -4.672900     -0.8063000     -0.7113000    
 C  -0.5716000       2.242000       2.476800    
 C    4.318800      -4.431100      0.5897000    
 C   -1.682000       2.781800       3.326200    
 C   -5.982000      -2.668200     -2.1700000E-02
 H  -0.9041000       1.974100      -1.483000    
 H   0.6510000       2.064000      0.2174000    
 H    1.976800      -1.579700       2.236400    
 H    3.436000     -0.6951000       1.914100    
 H    3.677700      -2.050100     -0.2641000    
 H    2.186300      -2.893400      0.1546000    
 H    4.417100      0.5676000      0.6054000    
 H   -1.436200      -1.469900      2.8300000E-02
 H   -3.169900       2.025000      -1.828500    
 H    2.175600       1.470500      -3.713900    
 H    5.629600       1.645500      -1.199900    
 H    4.511500       2.132700      -3.356800    
 H    3.263700      -3.665300       2.154500    
 H   -3.593100      -2.471500      0.2201000    
 H   -5.397000      0.9909000      -1.661500    
 H    3.489500      -5.001500      0.1587000    
 H    4.900100      -5.109000       1.222300    
 H    4.976600      -4.089700     -0.2162000    
 H   -1.277300       3.107700       4.288700    
 H   -2.141800       3.641000       2.831700    
 H   -2.422900       1.999100       3.506700    
 H   -7.035400      -2.966900     -3.0099999E-02
 H   -5.433300      -3.414700     -0.6061000    
 H   -5.664300      -2.646000       1.026300    


%chk=000107891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107891

0 1
S 0.475106 -0.010214 -2.045171
O -0.968077 1.753393 1.412759
O 0.313175 -0.671936 1.937559
O -5.797580 -1.721091 -1.020028
O 0.779080 2.571028 2.723559
N 2.138905 -0.068262 0.629457
N 3.519157 -3.549129 1.222031
C -0.729677 0.995049 -0.875396
C 0.036001 1.273398 0.437603
C 0.818304 0.077518 1.047735
C 2.726709 0.693603 -0.439566
C -2.044941 0.252384 -0.826414
C 2.931270 -1.160384 1.259080
C 2.076359 0.831894 -1.701682
C 2.748757 -2.504468 0.518751
C 3.995338 1.298725 -0.246596
C -2.358900 -0.727025 0.147896
C -3.006887 0.535510 -1.835655
C 2.704641 1.560362 -2.739528
C 4.620125 2.008475 -1.291917
C 3.978473 2.137957 -2.545862
C -3.598147 -1.402456 0.122070
C -4.240695 -0.134096 -1.878528
C -4.540475 -1.110121 -0.895362
C -0.444104 2.362984 2.567463
C 3.644175 -4.824067 0.488818
C -1.552687 2.685200 3.538824
C -6.157023 -2.738440 -0.029066
H -0.875185 1.958854 -1.391942
H 0.759923 2.090406 0.261485
H 2.588774 -1.257964 2.304057
H 3.998869 -0.890303 1.257071
H 3.147464 -2.415112 -0.509934
H 1.659874 -2.729316 0.431864
H 4.476936 1.228505 0.734096
H -1.646673 -0.949413 0.948443
H -2.783209 1.292214 -2.598033
H 2.187094 1.660290 -3.698878
H 5.598055 2.471481 -1.122431
H 4.458458 2.690662 -3.360108
H 3.165104 -3.691940 2.177718
H -3.815338 -2.145764 0.894895
H -4.983697 0.080589 -2.652301
H 2.670038 -5.293337 0.208220
H 4.211441 -5.548239 1.100189
H 4.213787 -4.657209 -0.444069
H -1.233035 3.487606 4.220243
H -2.473495 2.968958 3.005776
H -1.774852 1.781859 4.136000
H -7.163593 -3.076086 -0.316414
H -5.454010 -3.593622 -0.056585
H -6.183216 -2.313611 0.993302


