%chk=000049925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049925

0 1
 O    1.017600       1.600200       1.882500    
 O   0.2485000     -0.8088000      -2.203500    
 O    3.896100      -1.658700      0.4365000    
 N    2.431000     -3.4699999E-02   1.133000    
 N    2.057400      -1.208000     -0.8615000    
 C   0.4152000      0.4947000     -0.1775000    
 C   0.2097000       1.819500     -0.9246000    
 C  -0.8859000     -1.6500000E-02  0.3747000    
 C    1.297600      0.7527000       1.032000    
 C   0.8824000     -0.5495000      -1.178400    
 C   -2.034600      0.6456000      0.1395000    
 C    1.527500       2.378000      -1.417200    
 C  -0.7689000      -1.289100       1.164800    
 C   -3.411000      0.3028000      0.6349000    
 C    2.863900      -1.011800      0.2494000    
 C   -4.171500     -0.5441000     -0.3851000    
 C   -5.574700     -0.8722000      0.1007000    
 H  -0.2307000       2.591600     -0.2793000    
 H  -0.4334000       1.700700      -1.806900    
 H   -2.074100       1.543700     -0.4663000    
 H    1.350600       3.309500      -1.966500    
 H    2.211700       2.616700     -0.5972000    
 H    2.036800       1.693100      -2.102200    
 H  -0.2168000      -1.132000       2.096500    
 H   -1.746500      -1.692900       1.444400    
 H  -0.2742000      -2.080400      0.5941000    
 H   -3.363000     -0.2153000       1.599000    
 H   -3.954500       1.236600      0.8264000    
 H    3.017600      0.1254000       1.947300    
 H    2.367500      -1.915700      -1.521600    
 H   -3.632000      -1.479600     -0.5766000    
 H   -4.239300     -1.0800000E-02  -1.341200    
 H   -6.155100      4.0600002E-02  0.2688000    
 H   -6.101700      -1.477500     -0.6436000    
 H   -5.543100      -1.437400       1.037600    


%chk=000049925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049925

0 1
O 1.061663 1.800251 1.805474
O 0.500165 -0.939428 -2.193085
O 4.112504 -1.508120 0.666283
N 2.529709 0.123164 1.212759
N 2.255255 -1.206630 -0.720906
C 0.442616 0.472450 -0.174582
C 0.211306 1.762448 -1.028450
C -0.862910 -0.139213 0.428721
C 1.347742 0.865131 1.016717
C 1.047481 -0.597128 -1.115337
C -2.079131 0.423130 0.192293
C 1.506621 2.358038 -1.620274
C -0.639288 -1.378543 1.280443
C -3.432145 -0.041450 0.687224
C 3.039541 -0.909007 0.406804
C -4.435722 -0.273908 -0.476364
C -5.840585 -0.664710 0.029206
H -0.275487 2.509383 -0.377364
H -0.481094 1.498329 -1.846753
H -2.129726 1.321560 -0.436830
H 1.266701 3.257137 -2.214834
H 2.216979 2.667192 -0.831481
H 2.017025 1.645988 -2.294576
H -0.041773 -1.148114 2.184338
H -1.589219 -1.815652 1.622706
H -0.097958 -2.166812 0.721987
H -3.357980 -0.963461 1.292407
H -3.854318 0.737376 1.358192
H 3.104527 0.374887 2.024139
H 2.629080 -1.934999 -1.338874
H -4.039152 -1.063464 -1.143752
H -4.502823 0.647964 -1.088615
H -6.266529 0.128248 0.672748
H -6.538400 -0.829093 -0.811888
H -5.804576 -1.596546 0.624424


