%chk=000226984.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226984

0 1
 S    1.742900      -2.118000     -0.3339000    
 O    2.661300      -2.988400      0.3746000    
 O    1.477200      -2.323900      -1.744800    
 N   0.2628000      -2.058100      0.5066000    
 N  -0.7227000      -1.118700     -3.0000001E-04
 N    3.734200       3.441800      0.3608000    
 C    2.334800     -0.4643000     -0.1273000    
 C    3.124700     -0.1623000      0.9681000    
 C    1.997000      0.4957000      -1.064800    
 C    3.261300       2.123000      0.1967000    
 C    3.591500       1.142000       1.131400    
 C    2.464000       1.799900     -0.9015000    
 C   -2.947500     -0.2735000      0.3203000    
 C   -1.833800      -1.145000      0.6588000    
 C   -4.129200     -0.3329000       1.059100    
 C   -2.834200      0.6223000     -0.7430000    
 C   -5.197500      0.5032000      0.7347000    
 C   -3.902600       1.458400      -1.067300    
 C   -5.084200       1.398800     -0.3284000    
 H    3.386100     -0.9096000       1.710700    
 H    1.372800      0.2652000      -1.922600    
 H    4.210600       1.381800       1.992200    
 H    2.198500       2.556000      -1.635900    
 H   0.2104000      -2.333500       1.494700    
 H   -1.976200      -1.835000       1.510600    
 H   -4.232600      -1.025500       1.890400    
 H   -1.926500      0.6922000      -1.336600    
 H    3.493600       4.153700     -0.3160000    
 H    4.311000       3.677100       1.157500    
 H   -6.117600      0.4569000       1.309900    
 H   -3.814800       2.156200      -1.895000    
 H   -5.916000       2.049900     -0.5809000    


%chk=000226984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226984

0 1
S 1.661589 -1.939556 -0.261518
O 2.548385 -3.071750 0.502124
O 1.144060 -2.134691 -1.791558
N 0.162410 -1.782517 0.972799
N -0.859420 -1.028651 0.478526
N 4.314590 3.469503 0.178233
C 2.459462 -0.274861 -0.115242
C 3.319244 -0.033269 0.972512
C 2.197533 0.684587 -1.110294
C 3.699465 2.228493 0.080142
C 3.941279 1.221983 1.066714
C 2.822887 1.938369 -1.010794
C -3.197898 -0.356964 0.434478
C -2.099636 -1.214687 0.893323
C -4.515888 -0.608588 0.908521
C -2.985986 0.716537 -0.478383
C -5.598153 0.188451 0.478718
C -4.068391 1.508814 -0.904606
C -5.379236 1.250084 -0.429347
H 3.507869 -0.816102 1.713946
H 1.534309 0.442098 -1.946467
H 4.618524 1.431058 1.902613
H 2.635795 2.700704 -1.775678
H -0.021885 -2.755191 1.312624
H -2.353006 -2.009894 1.622355
H -4.689134 -1.431869 1.613218
H -1.968763 0.905474 -0.835822
H 4.151029 4.190575 -0.518718
H 4.942220 3.682402 0.948450
H -6.608368 -0.016792 0.849850
H -3.897261 2.331311 -1.608308
H -6.218326 1.870339 -0.763611


