%chk=000163585.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163585

0 1
 S    1.536000     -0.1838000       1.270800    
 O   -2.815000      -1.743900      0.2555000    
 O    6.643100     -0.1904000      0.2453000    
 O   -7.114800      0.3172000      0.2878000    
 O  -0.7852000      -2.774100      0.2491000    
 N    1.315900     -0.5194000      -1.277000    
 N  -0.3177000       3.003500     -0.5429000    
 C  -0.7791000     -0.4143000     -6.2300000E-02
 C   -2.961500      0.6667000     -4.9699999E-02
 C   -1.494800      0.7262000     -0.1612000    
 C   0.6282000     -0.3925000     -0.1649000    
 C   -3.574500     -0.5663000      0.1545000    
 C    2.992700     -0.2666000      0.3519000    
 C    2.672700     -0.4493000     -0.9968000    
 C   -1.431900      -1.735100      0.1577000    
 C   -3.789500       1.796000     -0.1393000    
 C    4.322800     -0.1766000      0.7929000    
 C   -4.959500     -0.7023000      0.2692000    
 C    3.723100     -0.5447000      -1.935300    
 C    5.343100     -0.2742000     -0.1564000    
 C   -5.763500      0.4287000      0.1776000    
 C   -5.179300       1.676900     -2.6400000E-02
 C    5.049500     -0.4559000      -1.503300    
 C  -0.8443000       1.984200     -0.3720000    
 C    6.914800      0.6061000       1.396300    
 C    8.312900       1.175400       1.283100    
 C   -7.644300     -0.9916000      0.4959000    
 H   -3.377400       2.789400     -0.2981000    
 H    4.520400     -6.3400000E-02   1.853900    
 H   -5.344500      -1.703800      0.4274000    
 H    3.504900     -0.6865000      -2.990000    
 H    5.852300     -0.5303000      -2.232600    
 H   -5.799700       2.566400     -9.8999999E-02
 H    6.222500       1.453100       1.480600    
 H    6.841800     -1.9099999E-02   2.293000    
 H    8.559600       1.785000       2.156900    
 H    9.050600      0.3711000       1.194600    
 H    8.406500       1.792900      0.3836000    
 H   -7.431500      -1.651000     -0.3523000    
 H   -8.733000     -0.8935000      0.5597000    
 H   -7.305000      -1.416200       1.446800    


%chk=000163585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163585

0 1
S 1.780992 -0.849210 1.445571
O -2.817266 -1.134843 1.401599
O 6.788887 0.563257 0.118944
O -7.311186 -0.187850 -0.186827
O -0.748055 -1.643803 2.216587
N 1.243161 0.796748 -0.626875
N -1.004193 2.171874 -2.526623
C -0.820769 -0.117843 0.320809
C -3.125732 0.377615 -0.502609
C -1.683536 0.544805 -0.578121
C 0.626721 0.030407 0.263199
C -3.660361 -0.473684 0.504773
C 3.134414 -0.039240 0.563600
C 2.628676 0.786667 -0.495797
C -1.387837 -0.999058 1.361008
C -4.057243 1.016726 -1.380576
C 4.514165 -0.155998 0.820815
C -5.039027 -0.702408 0.662396
C 3.537282 1.512616 -1.313748
C 5.397955 0.576830 -0.009581
C -5.928188 -0.054242 -0.223836
C -5.429895 0.808211 -1.247688
C 4.908799 1.405248 -1.068613
C -1.206827 1.420402 -1.617676
C 7.385419 -0.277726 1.180796
C 8.898138 -0.110158 1.079136
C -7.893202 -1.064256 0.840635
H -3.680502 1.678035 -2.167007
H 4.882700 -0.789552 1.630679
H -5.369345 -1.370484 1.460535
H 3.145827 2.140189 -2.118946
H 5.641002 1.946179 -1.674654
H -6.148121 1.292453 -1.914349
H 7.005925 0.058071 2.167493
H 7.082574 -1.332916 1.022122
H 9.398547 -0.719447 1.853421
H 9.261136 -0.435191 0.089435
H 9.184517 0.945110 1.225330
H -7.535100 -2.104146 0.722361
H -8.977957 -1.019818 0.670850
H -7.655096 -0.695570 1.856032


