%chk=000226455.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226455

0 1
 S    5.362200      0.6755000     -0.1269000    
 O    2.871600       1.460300      -1.428000    
 O    3.627700      -1.623700      -1.304400    
 N    1.759000       2.015300      0.5301000    
 N    2.413800      -1.422100      0.6617000    
 N   0.5440000       1.973200     -6.3299999E-02
 N    1.268200      -1.849300      8.2900003E-02
 C   -1.838200       2.245700      0.2720000    
 C   -1.076600      -2.332500      0.4437000    
 C    4.162900       1.843400      0.5577000    
 C    4.750800     -0.8323000      0.6626000    
 C   -2.866900       2.540800       1.166800    
 C   -2.138300      -2.363900       1.347900    
 C   -2.134400       1.954500      -1.059700    
 C   -1.277900      -2.717400     -0.8818000    
 C    2.879800       1.743700     -0.2310000    
 C    3.556800      -1.338000     -0.1101000    
 C   -4.191600       2.544600      0.7301000    
 C   -3.401100      -2.780300      0.9267000    
 C   -3.459200       1.958200      -1.496300    
 C   -2.540900      -3.133700      -1.303000    
 C  -0.4388000       2.242200      0.7334000    
 C   0.2574000      -1.892400      0.8888000    
 C   -4.487800       2.253300     -0.6014000    
 C   -3.602500      -3.165000     -0.3986000    
 H    4.005300       1.660100       1.624400    
 H    4.550100       2.860300      0.4400000    
 H    4.528800     -0.6590000       1.719400    
 H    5.529000      -1.600700      0.6114000    
 H   -2.651300       2.769400       2.207200    
 H   -1.996700      -2.065800       2.383500    
 H   -1.353900       1.719700      -1.778300    
 H  -0.4698000      -2.702200      -1.608100    
 H   -4.992500       2.773900       1.426800    
 H   -4.228000      -2.804000       1.630600    
 H   -3.690400       1.730500      -2.532800    
 H   -2.698300      -3.432900      -2.335100    
 H  -0.2749000       2.481100       1.800900    
 H   0.3466000      -1.598900       1.951600    
 H   -5.519200       2.255700     -0.9413000    
 H   -4.585900      -3.488600     -0.7268000    
 H    1.806900       2.250500       1.516700    
 H    2.391900      -1.172100       1.645600    


%chk=000226455-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226455

0 1
S 4.596551 0.692252 -0.198248
O 1.804629 0.358366 1.691674
O 4.202241 -2.920265 -0.994658
N 1.569504 2.575758 0.976640
N 2.431483 -1.960223 0.238741
N 0.181047 2.530135 0.975060
N 1.457483 -2.783954 -0.301716
C -1.908492 3.697585 0.566616
C -0.889524 -3.379647 -0.415663
C 3.826998 1.660230 1.246369
C 4.690515 -1.077162 0.533298
C -2.532605 4.909528 0.160571
C -2.215050 -3.100359 0.018412
C -2.719179 2.581577 0.924208
C -0.671938 -4.455721 -1.324660
C 2.320147 1.460579 1.335522
C 3.760893 -2.081741 -0.163479
C -3.939117 5.007721 0.111935
C -3.300448 -3.876346 -0.442114
C -4.121492 2.684721 0.873764
C -1.757261 -5.227010 -1.781245
C -0.444221 3.629570 0.605570
C 0.216952 -2.553947 0.085016
C -4.737281 3.896203 0.468151
C -3.076032 -4.942591 -1.343455
H 4.298910 1.313575 2.179542
H 4.121933 2.708974 1.070224
H 4.481273 -0.989022 1.612793
H 5.726465 -1.409549 0.375445
H -1.914260 5.772567 -0.117537
H -2.389666 -2.273592 0.718995
H -2.228184 1.653802 1.234463
H 0.352165 -4.661497 -1.652344
H -4.411401 5.944456 -0.202670
H -4.317095 -3.652420 -0.099714
H -4.741376 1.824219 1.148044
H -1.581579 -6.053057 -2.479678
H 0.102205 4.549058 0.306171
H -0.042474 -1.740017 0.790395
H -5.829598 3.970288 0.429904
H -3.917120 -5.546857 -1.701712
H 2.065915 3.431091 0.680857
H 2.175786 -1.190180 0.896112


