%chk=000126598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126598

0 1
 S  -0.6270000       1.223700      0.4181000    
 O   0.2133000      -1.296300      0.1405000    
 O    4.254600     -0.4424000     -0.1159000    
 O    2.646600      -2.193000       1.316400    
 O  -0.8653000      -3.783100     -0.3089000    
 O    2.923300       2.770100       1.327200    
 N    2.336300       1.663100     -0.6341000    
 N   -5.825000      0.9368000      0.6936000    
 N   -5.327500     -0.1985000      0.7768000    
 C    1.983200      0.3895000     -4.2399999E-02
 C    2.927600     -0.7019000     -0.5677000    
 C    2.488600      -2.091400     -0.1003000    
 C   0.5192000      1.4500000E-02 -0.3412000    
 C    1.017600      -2.319700     -0.4556000    
 C   0.4987000      -3.659800      5.2099999E-02
 C   -4.662500      0.7062000     -0.1287000    
 C   -3.367300       1.307000      0.3280000    
 C   -2.174800      0.4746000     -0.1311000    
 C   -4.834300      0.5249000      -1.578100    
 C    2.776500       2.743400      0.1081000    
 C    3.098200       3.932500     -0.7569000    
 H    2.128000      0.4622000       1.043700    
 H    2.946400     -0.6856000      -1.665200    
 H    3.129800      -2.859000     -0.5465000    
 H   0.3409000      4.3499999E-02  -1.423800    
 H   0.8707000      -2.274000      -1.542700    
 H    2.260800       1.754000      -1.643400    
 H   0.5526000      -3.722300       1.143800    
 H    1.060000      -4.490800     -0.3864000    
 H   -3.358600       1.398400       1.422500    
 H   -3.295900       2.326300     -7.3200002E-02
 H   -2.260600     -0.5396000      0.2731000    
 H   -2.150100      0.4043000      -1.222900    
 H    4.503300      0.4414000     -0.4361000    
 H    1.965500      -1.644400       1.740600    
 H   -4.269700     -0.3412000      -1.938700    
 H   -5.884300      0.3575000      -1.844400    
 H   -4.498500       1.408000      -2.131900    
 H   -1.172900      -4.644500      2.1100000E-02
 H    3.268200       4.810600     -0.1278000    
 H    4.000600       3.727200      -1.339200    
 H    2.266100       4.143200      -1.434900    


%chk=000126598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126598

0 1
S -0.545804 1.294857 0.229619
O 0.289602 -1.285025 0.268090
O 4.413109 -0.604792 -0.149331
O 2.635957 -2.142774 1.619942
O -0.664059 -4.013147 -0.591810
O 2.918619 2.805745 1.164203
N 2.529309 1.587049 -0.785484
N -5.572074 -0.198475 0.800905
N -4.917027 -0.962332 -0.021476
C 2.108195 0.359968 -0.095336
C 3.022728 -0.834877 -0.500621
C 2.555502 -2.157894 0.159145
C 0.633086 -0.016630 -0.396451
C 1.096724 -2.417304 -0.280585
C 0.490246 -3.703008 0.263799
C -4.667238 0.557150 -0.197294
C -3.349312 1.094624 0.339632
C -2.148113 0.515549 -0.437306
C -5.336572 1.243817 -1.368643
C 2.844879 2.765541 -0.096623
C 3.084036 3.985405 -0.978228
H 2.228412 0.564562 0.985690
H 2.928606 -0.971512 -1.607670
H 3.233902 -2.969009 -0.156732
H 0.475627 -0.139030 -1.492020
H 1.012291 -2.429647 -1.388740
H 2.416592 1.631424 -1.801247
H 0.198934 -3.555134 1.321564
H 1.246574 -4.513688 0.214101
H -3.237785 0.843899 1.410968
H -3.357473 2.199366 0.264348
H -2.059265 -0.571905 -0.282097
H -2.217141 0.735079 -1.516912
H 4.616995 0.357315 -0.281941
H 1.886148 -1.580144 1.953276
H -4.621860 1.383456 -2.200919
H -6.190805 0.658367 -1.748986
H -5.711048 2.242361 -1.073496
H -1.284115 -4.617986 -0.115370
H 2.221514 4.669319 -0.882791
H 3.972828 4.525529 -0.613926
H 3.221574 3.739333 -2.045646


