%chk=000122412.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122412

0 1
 S    4.649800     -0.1813000      -1.529900    
 O   -8.469400      -1.194700      -1.522700    
 O   0.9346000      1.4400000E-02   2.455700    
 N   -2.629600      0.7412000      0.4055000    
 N   -5.446500      0.1822000      7.2700001E-02
 N    2.128800     -4.2900000E-02  0.4435000    
 C   -3.653100       1.564200       1.061400    
 C   -3.117400     -0.6305000      0.2175000    
 C   -4.958400       1.554100      0.2585000    
 C   -4.423600     -0.6407000     -0.5842000    
 C   -1.386100      0.7494000       1.173600    
 C   -6.690900      0.1733000     -0.6938000    
 C  -0.3201000     -1.9300001E-02  0.4201000    
 C   -7.254500      -1.235800     -0.7858000    
 C   0.9621000      1.0100000E-02   1.224600    
 C    2.730300       1.187700     -1.7000001E-02
 C    2.755500      -1.320500      0.1969000    
 C    3.831700       1.241600     -0.8809000    
 C    3.884500      -1.487000     -0.6182000    
 C    2.222000       2.423300      0.4498000    
 C    2.199500      -2.492200      0.7625000    
 C    4.360700       2.484400      -1.286500    
 C    4.450100      -2.765500     -0.8048000    
 C    2.753300       3.651100      4.6999998E-02
 C    2.764600      -3.756400      0.5717000    
 C    3.822700       3.682200     -0.8299000    
 C    3.899200      -3.892700     -0.2072000    
 H   -3.303600       2.601100       1.136400    
 H   -3.845800       1.209600       2.083100    
 H   -3.268600      -1.132400       1.182800    
 H   -2.419200      -1.235400     -0.3677000    
 H   -4.800100       2.048300     -0.7098000    
 H   -5.703900       2.142300      0.8072000    
 H   -4.234900     -0.2927000      -1.609000    
 H   -4.723700      -1.691000     -0.6392000    
 H   -1.545600      0.3249000       2.173700    
 H   -1.047600       1.783500       1.316900    
 H   -7.440000      0.8108000     -0.2063000    
 H   -6.552600      0.5867000      -1.701900    
 H  -0.5513000      -1.081500      0.3014000    
 H  -0.1515000      0.4095000     -0.5743000    
 H   -6.602800      -1.924900      -1.327000    
 H   -7.464600      -1.645000      0.2080000    
 H   -8.817400      -2.102200      -1.552100    
 H    1.386900       2.462100       1.145300    
 H    1.311800      -2.450500       1.389600    
 H    5.210700       2.532200      -1.965600    
 H    5.328500      -2.898800      -1.434600    
 H    2.327400       4.576500      0.4232000    
 H    2.312700      -4.627800       1.036300    
 H    4.243800       4.629800      -1.150500    
 H    4.346000      -4.869600     -0.3626000    


%chk=000122412-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122412

0 1
S 4.094303 -0.604784 -1.986832
O -8.984068 0.869388 -1.497690
O 0.755078 -2.480552 1.121061
N -2.681431 0.151088 0.336524
N -5.520317 0.590038 -0.114736
N 2.120231 -0.758371 0.311394
C -3.523514 0.865136 1.330107
C -3.504203 -0.832018 -0.412281
C -4.695346 1.572534 0.630735
C -4.680713 -0.127446 -1.106438
C -1.465825 -0.437960 0.942135
C -6.738169 1.189776 -0.710429
C -0.377418 -0.733102 -0.122865
C -7.854892 0.150662 -0.880372
C 0.855271 -1.382226 0.501123
C 2.280502 0.582315 -0.202875
C 3.340890 -1.494890 0.582873
C 3.172071 0.814656 -1.280647
C 4.361336 -1.500982 -0.401202
C 1.609168 1.681135 0.386529
C 3.540963 -2.194761 1.795760
C 3.344635 2.114211 -1.803434
C 5.565437 -2.204431 -0.188618
C 1.761586 2.977779 -0.147930
C 4.736311 -2.917089 2.000673
C 2.622411 3.194590 -1.249560
C 5.747021 -2.926536 1.011954
H -2.898887 1.617647 1.847578
H -3.936196 0.166163 2.100916
H -3.904618 -1.626044 0.267431
H -2.880257 -1.324443 -1.179776
H -4.281649 2.363767 -0.044750
H -5.330812 2.065275 1.389823
H -4.274554 0.576100 -1.877185
H -5.296337 -0.882915 -1.627664
H -1.676137 -1.376821 1.508798
H -1.068710 0.296431 1.670368
H -7.111858 1.980741 -0.034920
H -6.539428 1.670839 -1.698584
H -0.764782 -1.484902 -0.836679
H -0.158215 0.182902 -0.689667
H -7.520010 -0.685273 -1.530427
H -8.125900 -0.260891 0.113152
H -9.752795 0.253789 -1.593885
H 0.966403 1.510730 1.256478
H 2.752087 -2.193367 2.549551
H 4.043176 2.277832 -2.630466
H 6.349803 -2.183982 -0.952121
H 1.220988 3.816555 0.302499
H 4.877249 -3.470880 2.934716
H 2.748678 4.200907 -1.662150
H 6.675844 -3.483122 1.175403


