%chk=000072623.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072623

1 1
 O    2.411800       1.822800       1.356700    
 O   -2.731000       1.208700     -0.7293000    
 O    1.636600       2.932200     -0.4498000    
 O    2.800200      -2.019600      -1.353500    
 N    2.136000     -0.5433000      0.3196000    
 N   -4.393500     -0.7940000      0.2293000    
 N   -5.441000     -0.8527000     -4.1900001E-02
 C   0.1450000      0.2828000     -0.8177000    
 C    1.635100      0.5091000     -0.5314000    
 C  -0.7286000      0.4058000      0.4376000    
 C    1.885300       1.869400      0.1087000    
 C   -2.192400      0.2501000      0.1127000    
 C    2.677400      -1.721500     -0.1684000    
 C    3.145300      -2.634700      0.9329000    
 C   -2.986000     -0.7151000      0.5946000    
 H    0.000000     -0.7076000      -1.268600    
 H  -0.1753000       1.017900      -1.566800    
 H    2.201800      0.4832000      -1.469500    
 H  -0.5909000       1.383600      0.9136000    
 H  -0.4286000     -0.3475000       1.176100    
 H    2.079800     -0.4107000       1.325600    
 H    3.394100      -3.615300      0.5180000    
 H    4.033400      -2.208800       1.407700    
 H    2.356700      -2.760300       1.680400    
 H   -2.593500      -1.471900       1.265300    
 H    2.555000       2.719500       1.727800    
 H   -2.060800       1.899100     -0.8686000    


%chk=000072623-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072623

1 1
O 2.428266 2.325691 0.575390
O -2.116948 1.544407 -0.099003
O 0.203651 2.430201 0.049082
O 2.732041 -1.990704 -1.039603
N 2.196961 -0.459939 0.604820
N -4.562237 0.408331 0.042510
N -5.501360 1.085627 -0.068054
C 0.135610 -0.326090 -0.857523
C 1.460728 0.336101 -0.392739
C -0.927633 -0.595440 0.259313
C 1.284729 1.767047 0.092254
C -2.182087 0.232869 0.106220
C 2.871316 -1.608750 0.159119
C 3.736632 -2.319847 1.180900
C -3.460876 -0.366034 0.168925
H 0.435736 -1.290328 -1.298341
H -0.290191 0.271836 -1.684934
H 2.097204 0.383577 -1.308071
H -0.485305 -0.385912 1.256894
H -1.201007 -1.662606 0.277435
H 2.453965 -0.043545 1.502461
H 3.456035 -3.385726 1.219195
H 4.789485 -2.279062 0.850810
H 3.664721 -1.892943 2.195016
H -3.630371 -1.433609 0.311002
H 2.307969 3.280524 0.839223
H -1.125135 1.955526 -0.101200


