%chk=000178133.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178133

0 1
 S   -2.923900      -1.998100      0.4987000    
 O  -0.8255000       1.978900     -0.8861000    
 O    3.899200     -0.7985000     -0.9208000    
 O    2.812000     -0.7048000       1.111600    
 N   -2.914600      0.5589000     -0.2588000    
 N   0.5216000       1.106100      0.8000000    
 C   -1.730600      0.3358000      0.5825000    
 C   -3.873800     -0.4952000      0.1030000    
 C   -1.338800      -1.129800      0.4651000    
 C  -0.6519000       1.237000      7.7299997E-02
 C   -4.855000     -0.7594000      -1.030200    
 C    1.722900       1.850500      0.4983000    
 C    2.622700       1.119500     -0.4900000    
 C    3.096000     -0.2235000      2.3499999E-02
 C    4.439700      -2.077500     -0.5739000    
 H   -1.953000      0.6051000       1.624300    
 H   -4.422300     -0.2006000       1.005000    
 H  -0.8214000      -1.352900     -0.4743000    
 H  -0.7111000      -1.460900       1.297500    
 H   -3.317600       1.477800     -8.0499999E-02
 H   -4.345500      -1.067500      -1.950700    
 H   -5.572500      -1.541700     -0.7584000    
 H   -5.429600      0.1455000      -1.258800    
 H   0.5535000      0.4676000       1.589100    
 H    2.245000       2.012200       1.447600    
 H    1.444000       2.828700      9.1899998E-02
 H    3.504600       1.736600     -0.6939000    
 H    2.081600      0.9498000      -1.428000    
 H    5.068700      -1.993600      0.3175000    
 H    5.056700      -2.423400      -1.407500    
 H    3.632700      -2.798400     -0.4117000    


%chk=000178133-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178133

0 1
S -3.606021 -2.021402 -0.685099
O -1.043971 1.769675 -1.173919
O 4.667321 -0.610501 -0.242387
O 2.829454 -0.649729 1.179433
N -3.066224 0.525614 0.283789
N 0.543516 0.770272 0.215964
C -1.753167 -0.128520 0.198665
C -4.116365 -0.437262 0.464169
C -1.849258 -1.342304 -0.812514
C -0.723740 0.898093 -0.304071
C -5.507184 0.069640 0.097549
C 1.662052 1.627437 -0.199726
C 2.824070 0.818380 -0.817382
C 3.401185 -0.202016 0.151774
C 5.314814 -1.646401 0.605312
H -1.472206 -0.523590 1.193521
H -4.079928 -0.870874 1.476302
H -1.674752 -0.996694 -1.844760
H -1.132193 -2.137065 -0.551141
H -3.196517 1.172272 -0.510347
H -5.533639 0.419817 -0.949802
H -6.254426 -0.734257 0.205649
H -5.797842 0.904506 0.762277
H 0.759029 0.057794 0.920671
H 2.029175 2.204460 0.670302
H 1.262336 2.339630 -0.941110
H 3.633273 1.490959 -1.152852
H 2.469618 0.276633 -1.715716
H 5.448219 -1.266405 1.631602
H 6.282352 -1.836172 0.121412
H 4.694822 -2.557790 0.631733


