%chk=000124145.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124145

0 1
 S  -0.2196000      0.9015000      0.7617000    
 O    3.969000     -7.2200000E-02   1.425900    
 O    5.070900      -1.671000      0.3717000    
 N    2.828400      0.7723000     -0.1652000    
 N    3.028000      0.9278000       1.118600    
 C   -1.857600      0.2661000      0.3913000    
 C    1.895300       1.640200     -0.8800000    
 C   0.4701000       1.098900     -0.9027000    
 C   -2.922000       1.148100      0.2040000    
 C   -2.066100      -1.109600      0.2919000    
 C   -4.403200     -0.7210000     -0.1820000    
 C   -4.194800      0.6545000     -8.2500003E-02
 C   -3.338900      -1.603100      5.2999998E-03
 C    3.539300     -0.2302000     -0.7521000    
 C   -2.757100       2.631800      0.2997000    
 C  -0.9624000      -2.100900      0.4830000    
 C   -5.764100      -1.249000     -0.4875000    
 C    3.419400     -0.5209000      -2.179800    
 C    4.265400     -0.7632000      0.2786000    
 H    1.916100       2.628600     -0.4013000    
 H    2.249500       1.803300      -1.903300    
 H  -0.1644000       1.784500      -1.473200    
 H   0.4464000      0.1286000      -1.407100    
 H   -5.029100       1.335900     -0.2320000    
 H   -3.508900      -2.674200     -7.6099999E-02
 H   -3.710600       3.156200      0.1684000    
 H   -2.375500       2.919000       1.285200    
 H   -2.083100       3.000500     -0.4798000    
 H  -0.1927000      -1.981300     -0.2862000    
 H  -0.5119000      -1.996500       1.475600    
 H   -1.325300      -3.132500      0.4107000    
 H   -5.919900      -2.230800     -2.7300000E-02
 H   -6.542900     -0.5856000     -9.6299998E-02
 H   -5.895600      -1.344100      -1.569900    
 H    2.383100     -0.7242000      -2.464100    
 H    3.793000      0.3119000      -2.783600    
 H    4.005300      -1.405100      -2.452700    


%chk=000124145-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124145

0 1
S -0.291492 1.952180 1.612037
O 1.709108 -2.097147 -0.093700
O 0.733003 -2.661576 -2.227700
N 1.820100 0.085571 -0.345843
N 2.112774 -0.898598 0.568091
C -1.347423 0.659835 0.790559
C 2.140099 1.464256 0.081614
C 0.919557 2.393221 0.221129
C -2.170937 0.997119 -0.321597
C -1.345046 -0.658815 1.337981
C -2.872537 -1.374460 -0.478610
C -2.913162 -0.040467 -0.943128
C -2.109466 -1.652236 0.681743
C 1.286239 -0.340921 -1.532773
C -2.311990 2.415395 -0.851565
C -0.573416 -1.016166 2.595036
C -3.612607 -2.483227 -1.202463
C 0.897798 0.510069 -2.699673
C 1.153175 -1.770451 -1.465795
H 2.664337 1.363835 1.046245
H 2.844350 1.892871 -0.657620
H 1.288634 3.399532 0.486258
H 0.354051 2.473917 -0.718544
H -3.542140 0.208765 -1.807668
H -2.093212 -2.673641 1.081043
H -3.343453 2.591781 -1.203527
H -2.075737 3.160127 -0.072008
H -1.645945 2.612150 -1.716428
H 0.504884 -0.812168 2.475890
H -0.922125 -0.427255 3.463352
H -0.696600 -2.085997 2.833092
H -4.113281 -3.168001 -0.494499
H -4.376260 -2.082979 -1.891645
H -2.906101 -3.090832 -1.800394
H -0.126564 0.916323 -2.593211
H 1.592922 1.353326 -2.864391
H 0.901966 -0.121038 -3.604390


