%chk=000090401.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090401

0 1
 O  -0.1245000      -1.983800     -0.6058000    
 N    3.232300      0.7303000      0.2141000    
 C    2.272700     -0.3904000      0.1979000    
 C   0.9355000      0.1798000     -0.3306000    
 C    2.152500     -0.9230000       1.633100    
 C    2.852500      -1.463200     -0.7333000    
 C  -0.2504000     -0.7811000     -0.3940000    
 C    2.753200       1.783500       1.101100    
 C    3.429300       1.237000      -1.138700    
 C   -1.624000     -0.2319000     -0.1827000    
 C   -1.876300       1.068200     -0.5534000    
 C   -2.580300      -1.049000      0.3734000    
 C   -3.158400       1.580900     -0.3565000    
 C   -3.862500     -0.5362000      0.5703000    
 C   -4.151500      0.7787000      0.2052000    
 H    1.013200      0.5493000      -1.358100    
 H   0.5907000      0.9908000      0.3143000    
 H    3.133600      -1.046800       2.107000    
 H    1.680100      -1.913000       1.633100    
 H    1.524300     -0.2996000       2.277800    
 H    2.381200      -2.435500     -0.5472000    
 H    2.688900      -1.250300      -1.795400    
 H    3.925900      -1.615500     -0.5647000    
 H    2.554900       1.468700       2.128200    
 H    1.909100       2.370100      0.7251000    
 H    3.566900       2.514000       1.211600    
 H    2.571500       1.752600      -1.580300    
 H    3.821100      0.5029000      -1.847400    
 H    4.221200       1.997800      -1.097000    
 H   -1.130100       1.707600      -1.013300    
 H   -2.367700      -2.072200      0.6672000    
 H   -3.385300       2.603100     -0.6454000    
 H   -4.635800      -1.160300       1.008700    
 H   -5.150100       1.177500      0.3576000    


%chk=000090401-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090401

0 1
O -0.162084 -1.998512 0.540789
N 3.300455 0.775335 0.046758
C 2.299541 -0.338583 0.263195
C 0.838141 0.205801 0.093780
C 2.501415 -0.921035 1.686360
C 2.583380 -1.465782 -0.764557
C -0.328157 -0.776039 0.251647
C 3.315071 1.852230 1.057475
C 3.372283 1.335915 -1.317801
C -1.727546 -0.244681 0.048745
C -2.000029 1.116842 -0.256286
C -2.814267 -1.153713 0.170348
C -3.329200 1.556993 -0.435550
C -4.140484 -0.714908 -0.009589
C -4.402009 0.643370 -0.313703
H 0.741900 0.671260 -0.909551
H 0.674431 1.029264 0.821012
H 3.571946 -1.144332 1.841611
H 1.916016 -1.847986 1.788145
H 2.168310 -0.228198 2.480354
H 2.011173 -2.365678 -0.490738
H 2.291507 -1.186549 -1.793450
H 3.662441 -1.701247 -0.757101
H 3.427200 1.436942 2.071132
H 2.409274 2.512427 1.049953
H 4.189805 2.501428 0.867561
H 2.480710 1.944362 -1.619603
H 3.508068 0.536140 -2.062245
H 4.253798 2.000553 -1.381149
H -1.181377 1.837057 -0.353596
H -2.584858 -2.198148 0.406597
H -3.530084 2.608222 -0.669733
H -4.969890 -1.424265 0.085470
H -5.433179 0.986514 -0.454378


