%chk=000226979.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226979

0 1
 S   -1.862000       2.008700     -0.3628000    
 O   -2.039800       2.107100      -1.798800    
 O   -2.033600       3.175400      0.4812000    
 O    4.127000      -1.248000      -1.307500    
 N   -2.833500      0.7369000      0.2288000    
 N   -2.610100     -0.5624000     -0.3795000    
 N    3.594100     -7.6499999E-02  0.6678000    
 C  -0.2356000       1.386600     -5.5300001E-02
 C   0.3946000      0.6338000      -1.030400    
 C   0.3761000       1.664800       1.154400    
 C    2.310200      0.4140000      0.4255000    
 C    1.677700      0.1434000     -0.7880000    
 C    1.659300       1.174700       1.396800    
 C   -3.053600      -2.927100     -0.4854000    
 C   -3.313200      -1.547800      8.7499999E-02
 C   -1.952100      -3.624300      0.2911000    
 C   -4.329700      -1.430200       1.197200    
 C    4.398100     -0.8509000     -0.1789000    
 C    5.726100      -1.178100      0.4566000    
 H  -8.4200002E-02  0.4087000      -1.978600    
 H  -0.1168000       2.247900       1.926100    
 H    2.116400     -0.4389000      -1.586300    
 H    2.139400       1.391600       2.347700    
 H   -3.131800      0.7607000       1.210800    
 H   -2.759000      -2.825400      -1.535900    
 H   -3.975800      -3.516000     -0.4575000    
 H    3.986400      0.1638000       1.575900    
 H   -1.758200      -4.616300     -0.1280000    
 H   -1.020900      -3.048700      0.2564000    
 H   -2.229100      -3.744000       1.343800    
 H   -5.014900     -0.6022000      0.9973000    
 H   -4.917500      -2.348100       1.279100    
 H   -3.812000      -1.261900       2.145400    
 H    6.276700     -0.2549000      0.6578000    
 H    6.316000      -1.804200     -0.2185000    
 H    5.566000      -1.720000       1.393000    


%chk=000226979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226979

0 1
S -1.877970 2.127651 -0.233247
O -2.070706 2.476607 -1.797916
O -2.167190 3.197978 0.962475
O 4.235389 -1.200320 -1.372578
N -3.118136 0.729924 0.186057
N -2.703576 -0.500199 -0.306440
N 3.749046 -0.031901 0.606361
C -0.150711 1.422157 0.004963
C 0.437927 0.691745 -1.040286
C 0.498820 1.682837 1.223636
C 2.430599 0.433546 0.358164
C 1.742794 0.188072 -0.864091
C 1.802521 1.184238 1.393101
C -2.895781 -2.904363 -0.523422
C -3.350993 -1.586448 0.069131
C -2.327682 -3.878165 0.542632
C -4.520955 -1.553062 1.035756
C 4.580299 -0.795915 -0.225879
C 5.954845 -1.104431 0.360931
H -0.104534 0.529811 -1.975925
H 0.006028 2.281030 1.996784
H 2.235864 -0.386709 -1.649298
H 2.338568 1.383680 2.329377
H -3.316363 0.837880 1.203486
H -2.129794 -2.694779 -1.289811
H -3.754984 -3.387625 -1.032147
H 4.142363 0.231145 1.512713
H -2.042187 -4.837348 0.074749
H -1.430331 -3.450078 1.023921
H -3.070370 -4.095943 1.332142
H -5.242634 -0.769396 0.732663
H -5.041153 -2.523498 1.067804
H -4.198248 -1.314794 2.070925
H 6.728999 -0.672204 -0.296524
H 6.104881 -2.197422 0.363455
H 6.106054 -0.721502 1.385139


