%chk=000052285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052285

0 1
 O    1.560300      0.4906000       1.195600    
 N    1.278100     -0.6947000     -0.7155000    
 C  -0.7238000      1.5900001E-02  0.6199000    
 C   -1.418900       1.339900      0.1865000    
 C   -1.594100      -1.227100      0.2760000    
 C   0.7094000     -9.7700000E-02  0.3087000    
 C    2.795500      0.2366000      0.6718000    
 C    2.618900     -0.4888000     -0.4972000    
 C   -2.423000       1.814800      0.9770000    
 C   -2.204200      -1.878000       1.307600    
 C  -0.9794000       1.939800     -0.9561000    
 C   -1.692100      -1.588100      -1.035600    
 C   -3.046100       3.000800      0.5886000    
 C   -2.984100      -2.992700      0.9993000    
 C   -1.602200       3.125900      -1.344500    
 C   -2.472100      -2.702700      -1.343900    
 C    4.027500      0.6187000       1.187900    
 C    3.748900     -0.8776000      -1.230800    
 C   -2.635700       3.656300     -0.5722000    
 C   -3.118000      -3.405100     -0.3263000    
 C    5.144500      0.2232000      0.4443000    
 C    5.010700     -0.5100000     -0.7412000    
 H  -0.7305000      7.3100001E-02   1.722300    
 H   -2.745800       1.309300       1.880700    
 H   -2.106500      -1.564400       2.341300    
 H  -0.1883000       1.538700      -1.579000    
 H   -1.201100      -1.045900      -1.835900    
 H   -3.850900       3.413700       1.189800    
 H   -3.487400      -3.539400       1.791500    
 H   -1.285100       3.634900      -2.250100    
 H   -2.578000      -3.022800      -2.376300    
 H    4.120100       1.185700       2.105800    
 H    3.656900      -1.445800      -2.150400    
 H   -3.121300       4.579400     -0.8752000    
 H   -3.725700      -4.272600     -0.5665000    
 H    6.138400      0.4912000      0.7948000    
 H    5.901400     -0.8003000      -1.293100    


%chk=000052285-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052285

0 1
O 1.636243 0.059488 1.460813
N 1.277540 -0.151977 -0.816846
C -0.747981 0.013407 0.759934
C -1.422386 1.305212 0.244079
C -1.547027 -1.241167 0.345038
C 0.702333 -0.045196 0.369951
C 2.900053 0.005633 0.829485
C 2.678592 -0.125247 -0.570568
C -2.125595 2.132746 1.152867
C -2.578767 -1.697002 1.203630
C -1.384369 1.660269 -1.127492
C -1.321444 -1.918258 -0.878846
C -2.790209 3.295700 0.700400
C -3.374881 -2.808083 0.848374
C -2.046305 2.822451 -1.579016
C -2.116931 -3.031212 -1.233192
C 4.170010 0.062996 1.414958
C 3.774841 -0.204008 -1.453182
C -2.753784 3.643065 -0.668828
C -3.146363 -3.480020 -0.374599
C 5.262866 -0.017032 0.518283
C 5.068248 -0.147712 -0.886543
H -0.754351 0.059711 1.864192
H -2.153507 1.869804 2.217766
H -2.763428 -1.178336 2.152816
H -0.824436 1.036226 -1.832082
H -0.516013 -1.583013 -1.540540
H -3.330249 3.927873 1.414244
H -4.167457 -3.149336 1.523867
H -2.009722 3.089406 -2.641285
H -1.930695 -3.548953 -2.181065
H 4.311025 0.163203 2.494168
H 3.621894 -0.303724 -2.531408
H -3.267249 4.544196 -1.022488
H -3.761020 -4.343576 -0.652591
H 6.282349 0.022730 0.916244
H 5.944472 -0.205464 -1.540939


