%chk=000160729.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160729

0 1
 S    1.479000       2.635900     -9.4200000E-02
 O    1.454200       3.836500      0.7332000    
 O    1.784400       2.767600      -1.513500    
 O    1.667700      -3.159000       1.279400    
 O   -3.964900      -1.333300      -1.499500    
 N    2.566700       1.511500      0.6276000    
 N   -3.771400     -6.3100003E-02  0.4772000    
 N    2.938900     -6.3699998E-02  -1.087800    
 N    2.486200      -2.407200     -0.7559000    
 C  -6.6699997E-02   1.842000      7.3799998E-02
 C  -0.5259000      0.9899000     -0.9307000    
 C  -0.8423000       2.059100       1.212600    
 C   -2.536200      0.5721000      0.3428000    
 C   -1.760600      0.3552000     -0.7963000    
 C   -2.077000       1.424200       1.347200    
 C    2.528400      0.1469000      0.1752000    
 C    2.089800     -0.8391000       1.026600    
 C    2.089900      -2.114600      0.5001000    
 C   -4.392600     -0.9445000     -0.4174000    
 C    2.892600      -1.349800      -1.484200    
 C   -5.729000      -1.415200      9.9100001E-02
 C    1.689000      -4.451500      0.6849000    
 H   6.1900001E-02  0.8061000      -1.825700    
 H  -0.5016000       2.712200       2.011000    
 H    2.686000       1.613600       1.644400    
 H   -2.048400     -0.2898000      -1.614600    
 H   -2.670000       1.601100       2.240900    
 H   -4.276400      0.1468000       1.335800    
 H    1.763900     -0.6360000       2.039000    
 H    3.215300      -1.555600      -2.497400    
 H   -5.591200      -1.961000       1.036600    
 H   -6.196700      -2.078900     -0.6334000    
 H   -6.384900     -0.5566000      0.2685000    
 H    1.326800      -5.169200       1.426900    
 H    2.708400      -4.739100      0.4068000    
 H    1.020800      -4.496000     -0.1817000    


%chk=000160729-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160729

0 1
S 1.219794 2.058044 0.193244
O 1.396320 3.292582 1.241102
O 1.813526 2.150648 -1.307514
O 4.521297 -3.441493 1.235217
O -4.986097 -0.622298 -1.808461
N 2.064693 0.713507 1.182229
N -4.704037 0.735692 0.088130
N 1.627010 -0.963653 -0.412805
N 2.834056 -3.077443 -0.389953
C -0.591254 1.578569 0.151544
C -1.067810 0.776731 -0.895734
C -1.411591 2.111631 1.159480
C -3.309429 0.993649 0.067180
C -2.444701 0.480640 -0.941573
C -2.783747 1.808947 1.110343
C 2.378057 -0.535219 0.663165
C 3.385040 -1.345231 1.246287
C 3.558995 -2.627745 0.676795
C -5.471990 -0.029312 -0.805471
C 1.907006 -2.205161 -0.879274
C -6.955661 -0.080866 -0.445316
C 4.718707 -4.772517 0.615005
H -0.375638 0.382628 -1.644327
H -0.990907 2.755524 1.937720
H 2.647810 1.148065 1.907930
H -2.858255 -0.138549 -1.738587
H -3.450470 2.212028 1.882499
H -5.217994 1.165543 0.861500
H 4.000249 -1.019865 2.087527
H 1.324375 -2.547286 -1.740246
H -7.112199 -0.568178 0.535036
H -7.482405 -0.662450 -1.214888
H -7.397188 0.931973 -0.400783
H 5.519834 -5.230455 1.212713
H 5.018107 -4.666027 -0.440709
H 3.790598 -5.365151 0.668294


