%chk=000002584.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002584

0 1
 S    4.665100     -0.8880000     -0.4202000    
 S   -4.759800      -1.855400      0.6995000    
 O   0.3033000      -3.080900      3.5300002E-02
 O    3.113400       1.343100       1.345500    
 O    4.940200      0.4950000      -1.252200    
 O    4.699900      -1.978900      -1.389500    
 O    5.597800     -0.9025000      0.7024000    
 O  -0.8418000       1.026000       2.466000    
 O  -0.1025000      -3.977500      -2.045900    
 O  -0.8078000       2.745300     -0.1144000    
 O   0.3166000       5.817400      -1.569500    
 O    1.294100       4.470500     -1.4600000E-02
 N    3.094800     -0.7193000      0.1659000    
 N   0.1401000     -0.1529000      0.6913000    
 N   -1.981900       2.002900     -0.3021000    
 N   -1.551300      -4.334100     -0.2964000    
 N   -4.190500      0.3696000     -0.4871000    
 N   -6.280400     -0.5728000      -1.065200    
 C    2.153300      -1.728200      0.6972000    
 C    1.364900     -0.5852000       1.371700    
 C    2.611400      0.2902000       1.027200    
 C    1.496200      -2.488800     -0.4422000    
 C  -0.8245000      0.6056000       1.320400    
 C   -1.990800      0.9238000      0.4209000    
 C  -0.4203000      -3.811300     -0.8731000    
 C   -3.157400      3.8500000E-02  0.3432000    
 C   -3.259600      -1.110300       1.068000    
 C   -5.105500     -0.5683000     -0.3816000    
 C  -0.8805000       3.900000     -0.9362000    
 C   0.3638000       4.726400     -0.7642000    
 H    2.634200      -2.396600       1.423400    
 H    1.221400     -0.7349000       2.447100    
 H    1.264600      -1.829600      -1.288000    
 H    2.173200      -3.274400     -0.7988000    
 H  -1.7899999E-02 -0.3894000     -0.2845000    
 H    4.846400       1.325700     -0.7294000    
 H   -2.201900      -4.902000     -0.8287000    
 H   -1.772300      -4.166600      0.6794000    
 H   -2.572700      -1.556700       1.773000    
 H  -0.9574000       3.595000      -1.985400    
 H   -1.746100       4.503500     -0.6425000    
 H   -6.960500      -1.317800     -0.9546000    
 H   -6.523900      0.1682000      -1.714200    
 H    1.118300       6.375400      -1.477400    


%chk=000002584-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002584

0 1
S 5.250846 -0.570945 0.555195
S -5.668723 -1.352173 2.109600
O 0.721823 -2.324605 -1.046372
O 3.053654 1.452447 2.226624
O 5.526738 1.172861 0.951376
O 5.472517 -0.792611 -1.015204
O 5.976015 -1.535307 1.611045
O -1.157244 -1.115455 2.312419
O -0.309375 -0.701845 -2.425462
O -0.910840 1.767111 -0.603417
O 0.908206 3.092403 -3.409979
O 1.585388 1.922868 -1.517267
N 3.421903 -0.533678 0.900774
N 0.239462 0.157379 0.975246
N -2.234315 1.213787 -0.359775
N -1.434331 -2.623021 -1.687529
N -4.669209 0.243674 0.187267
N -7.041569 -0.021573 0.039895
C 2.274471 -1.449341 0.572345
C 1.410336 -0.477181 1.514273
C 2.695641 0.391367 1.668365
C 1.927730 -1.476747 -0.919875
C -1.022115 -0.246902 1.391684
C -2.228715 0.330543 0.646550
C -0.354668 -1.783389 -1.786524
C -3.578003 -0.178679 0.983721
C -3.903019 -1.026122 2.041092
C -5.813419 -0.251388 0.610492
C -0.815654 2.300695 -1.960987
C 0.676465 2.398979 -2.231026
H 2.398203 -2.465690 0.980421
H 1.145840 -0.986545 2.457764
H 1.732483 -0.467886 -1.320815
H 2.738759 -1.950327 -1.499518
H 0.306284 0.882376 0.240213
H 4.772231 1.495630 1.568874
H -2.300602 -2.363361 -2.151837
H -1.388346 -3.455634 -1.104392
H -3.227504 -1.468289 2.766212
H -1.267474 1.594241 -2.678199
H -1.304582 3.287571 -2.034074
H -7.895804 -0.411328 0.425692
H -7.087864 0.606532 -0.759680
H 1.884080 3.119256 -3.605709


