%chk=000122893.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122893

0 1
 S  -0.5433000      0.6259000      -2.101500    
 O  -0.1709000      -3.318700      0.3305000    
 O   -4.474200       1.752000      0.2097000    
 O   -3.235000      -1.752300       1.860500    
 O   -3.577500      -2.959500     -5.1399998E-02
 O    3.295900      0.4625000      -1.075200    
 O   -6.777000       1.630100      7.0100002E-02
 N  -0.9737000      -1.162700     -0.1872000    
 N    2.236600      -1.198200      0.1526000    
 N    5.519800      0.4624000      0.5895000    
 N    6.524200      0.1015000     -0.2032000    
 N    6.813800       2.177100      0.5573000    
 N    7.321800       1.162300     -0.2218000    
 C  -1.6400000E-02 -0.1330000     -0.5483000    
 C    1.021500      -1.271500     -0.6579000    
 C  -8.7700002E-02  -2.172100     -4.3200001E-02
 C   -2.310800     -0.9484000     -8.6999997E-02
 C   -2.888900      0.1645000     -0.5981000    
 C   -2.126400       1.211200      -1.407500    
 C   -4.351200      0.5131000     -0.4564000    
 C   -3.110900      -2.009000      0.5435000    
 C    3.285200     -0.3232000     -0.1313000    
 C    4.418400     -0.4557000      0.8629000    
 C   -5.753000       2.204800      0.4137000    
 C    5.688700       1.714600       1.051800    
 C   -5.729100       3.522300       1.127700    
 H   0.1692000      0.5739000      0.2697000    
 H    1.265100      -1.590100      -1.680600    
 H   -2.731800       1.535200      -2.260700    
 H   -1.931800       2.089200     -0.7821000    
 H    2.338900      -1.807500      0.9612000    
 H   -4.802300      0.5812000      -1.454300    
 H   -4.901400     -0.2498000      0.1043000    
 H    4.820100      -1.474400      0.8418000    
 H    4.052800     -0.2368000       1.871800    
 H   -3.764700      -2.437100       2.321800    
 H    5.006600       2.230600       1.711400    
 H   -5.194900       4.260300      0.5242000    
 H   -5.252300       3.405100       2.104100    
 H   -6.754300       3.871800       1.279400    


%chk=000122893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122893

0 1
S -0.886608 1.695528 -1.337065
O 0.286631 -2.739424 -0.523837
O -5.265189 1.197457 0.571782
O -2.060581 -2.834263 1.306927
O -3.963343 -2.717082 -0.023407
O 3.635170 0.754260 -1.085022
O -5.890152 2.443810 -1.305661
N -0.961335 -0.708392 0.058445
N 2.230279 -0.239480 0.487933
N 5.864093 -0.090641 0.570445
N 6.661782 -1.074282 1.208390
N 7.747129 -0.239004 -0.607702
N 7.789500 -1.146629 0.482268
C -0.200595 0.562514 0.010068
C 1.075026 -0.260946 -0.388555
C 0.148966 -1.526544 -0.317696
C -2.365484 -0.850792 0.024161
C -3.177859 0.216673 -0.301324
C -2.651271 1.602060 -0.641543
C -4.687427 0.126723 -0.312735
C -2.897991 -2.201233 0.389482
C 3.450185 0.265431 0.064608
C 4.558806 0.251377 1.135568
C -5.896869 2.281190 -0.064928
C 6.549637 0.391296 -0.516716
C -6.568305 3.168375 0.957336
H -0.164130 1.099349 0.970874
H 1.418094 -0.044734 -1.415583
H -3.290403 2.060053 -1.416456
H -2.694356 2.255555 0.248515
H 2.161698 -0.700144 1.398199
H -5.073926 0.287725 -1.337483
H -5.069451 -0.821188 0.084878
H 4.366557 -0.477903 1.939721
H 4.599683 1.260395 1.589134
H -2.383078 -3.762006 1.465869
H 6.160801 1.132838 -1.206049
H -5.911933 3.326418 1.828516
H -7.487957 2.677023 1.323113
H -6.836695 4.130238 0.497328


