%chk=000126588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126588

0 1
 S   9.3900003E-02   1.935000     -2.7899999E-02
 O   0.2433000       2.653400       1.226100    
 O   0.2534000       2.606200      -1.306000    
 N   -2.259600     -0.9648000      0.8332000    
 N   -1.375000       1.084200     -8.1000002E-03
 C   -2.719600     -0.8124000     -0.5613000    
 C   -1.654100      0.1487000      -1.130800    
 C   -1.750500      0.3507000       1.230600    
 C   -4.126500     -0.2027000     -0.7135000    
 C   -2.662100      -2.157000      -1.296600    
 C   -3.215000      -1.507500       1.784600    
 C    1.426600      0.7346000     -1.5600000E-02
 C    1.903400      0.2817000      -1.219300    
 C    1.915300      0.3179000       1.196500    
 C    2.939600     -0.6522000      -1.210400    
 C    2.951400     -0.6159000       1.205200    
 C    3.463600      -1.100900      1.7000000E-03
 C    4.571900      -2.099000      1.1500000E-02
 H  -0.7518000     -0.4028000      -1.409200    
 H   -2.016400      0.7050000      -2.000900    
 H  -0.9063000      0.2247000       1.912600    
 H   -2.514400      0.9526000       1.738400    
 H   -4.353000     -1.2200000E-02  -1.769000    
 H   -4.901400     -0.8772000     -0.3330000    
 H   -4.221900      0.7513000     -0.1834000    
 H   -3.406600      -2.861000     -0.9090000    
 H   -2.855100      -2.024100      -2.367200    
 H   -1.677100      -2.628300      -1.197100    
 H   -3.571000      -2.492100       1.465200    
 H   -4.083700     -0.8578000       1.935800    
 H   -2.733100      -1.650400       2.758300    
 H    1.504600      0.6116000      -2.172400    
 H    1.527600      0.6789000       2.142800    
 H    3.327800      -1.025300      -2.154500    
 H    3.349500     -0.9602000       2.156100    
 H    4.163000      -3.114000      3.3599999E-02
 H    5.205300      -1.995000     -0.8761000    
 H    5.219100      -1.961900      0.8845000    


%chk=000126588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126588

0 1
S 0.139449 2.095344 0.028606
O 0.173034 2.570820 1.591091
O 0.503022 3.120254 -1.175892
N -2.215488 -0.271445 1.093864
N -1.730043 1.557657 -0.310805
C -2.461464 -0.813469 -0.291547
C -1.798343 0.314858 -1.163666
C -2.360324 1.197443 0.981451
C -3.972105 -0.939143 -0.648057
C -1.756196 -2.172166 -0.476231
C -2.933189 -0.887113 2.222155
C 1.337082 0.630628 -0.164722
C 2.150843 0.606965 -1.308351
C 1.419549 -0.323801 0.863016
C 3.097453 -0.436347 -1.422223
C 2.375163 -1.353742 0.725858
C 3.221442 -1.428652 -0.414489
C 4.227491 -2.556526 -0.554364
H -0.789552 0.007990 -1.498478
H -2.397212 0.546200 -2.061581
H -1.868261 1.730704 1.816755
H -3.423881 1.539359 0.918613
H -4.089571 -1.253887 -1.701173
H -4.471130 -1.694945 -0.015144
H -4.503595 0.022583 -0.524642
H -2.226733 -2.956152 0.145843
H -1.819474 -2.504803 -1.528814
H -0.693074 -2.093307 -0.191925
H -2.741739 -1.974029 2.243210
H -4.037826 -0.729540 2.200594
H -2.551472 -0.461959 3.167876
H 2.059497 1.397118 -2.061042
H 0.758617 -0.263295 1.732853
H 3.751324 -0.474032 -2.301102
H 2.468221 -2.106880 1.517059
H 3.747717 -3.464214 -0.969180
H 5.053880 -2.281913 -1.231831
H 4.661990 -2.834765 0.421812


