%chk=000134049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134049

0 1
 S   -3.439900     -0.3946000     -0.6551000    
 O   -3.582800      0.5664000      -1.738300    
 O   -4.055100      -1.709100     -0.7662000    
 O   -5.818600       1.470200     -0.3730000    
 O    6.207000       1.147600     -7.2800003E-02
 O    5.359600     -0.8310000      0.7002000    
 N    1.620700      0.9864000     -0.6034000    
 N    2.354000     -0.8924000      0.3307000    
 N    3.959100      0.8180000     -0.2212000    
 C   -4.073200      0.3526000      0.8285000    
 C   -1.731200     -0.5969000     -0.3409000    
 C   -5.571300      0.6059000      0.7336000    
 C   0.5040000      0.2150000     -0.4074000    
 C  -0.8467000      0.4314000     -0.6823000    
 C   0.9880000     -0.9524000      0.1767000    
 C   -1.275600      -1.779700      0.2460000    
 C   8.5199997E-02  -1.975200      0.5129000    
 C   -6.094800       1.273200       1.997900    
 C    2.699900      0.2822000     -0.1468000    
 C    5.189800      0.2679000      0.1863000    
 C    7.521800      0.7143000      0.2946000    
 H   -3.528500       1.294900      0.9554000    
 H   -3.842400     -0.3154000       1.664100    
 H   -6.118800     -0.3275000      0.5621000    
 H   -1.178700       1.360400      -1.131900    
 H   -1.969600      -2.572000      0.5155000    
 H   0.4293000      -2.897100      0.9709000    
 H   -7.167200       1.475500       1.904800    
 H   -5.606700       2.240100       2.163300    
 H   -5.933300      0.6421000       2.877000    
 H    1.642300       1.910700      -1.012800    
 H   -5.700900      0.9539000      -1.188000    
 H    4.013100       1.748200     -0.6296000    
 H    7.574800      0.5394000       1.373400    
 H    8.226300       1.508100      3.2600001E-02
 H    7.790400     -0.1905000     -0.2588000    


%chk=000134049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134049

0 1
S -3.537756 -0.606818 -0.578687
O -3.741093 0.588301 -1.710939
O -4.204440 -2.083556 -0.788798
O -5.167609 2.164854 0.066274
O 6.250599 0.963723 -0.355558
O 4.961706 0.220035 1.472463
N 1.634947 0.833260 -0.885695
N 2.451894 -1.113347 0.005933
N 4.049170 0.611257 -0.687650
C -4.237641 0.123206 1.094118
C -1.676624 -0.804498 -0.344013
C -5.506972 0.939691 0.788851
C 0.509091 0.049578 -0.601321
C -0.870200 0.258095 -0.780147
C 1.043750 -1.161789 -0.027335
C -1.209240 -2.023278 0.201853
C 0.178299 -2.207253 0.369835
C -6.189128 1.363822 2.098283
C 2.764098 0.086804 -0.500395
C 5.066417 0.547521 0.276002
C 7.438694 1.004895 0.525501
H -3.426374 0.757131 1.486931
H -4.405753 -0.781006 1.700939
H -6.206466 0.309658 0.195652
H -1.313037 1.144403 -1.245835
H -1.922386 -2.813872 0.456030
H 0.586262 -3.132116 0.785927
H -7.060337 1.993301 1.850747
H -5.501107 1.964076 2.719155
H -6.534269 0.489111 2.677768
H 1.640922 1.794845 -1.222704
H -4.742906 1.883918 -0.801421
H 4.330027 0.951426 -1.610107
H 7.288326 1.736122 1.337566
H 8.264358 1.309884 -0.132177
H 7.624778 0.009217 0.960955


