%chk=000076824.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076824

0 1
 O   0.6278000      -1.200600     -4.8599999E-02
 O    2.339200     -0.1451000       1.054800    
 N    2.697100      -1.972700     -0.3459000    
 N    3.916800      -1.901800     -0.1035000    
 N    5.031800      -1.826500      0.1266000    
 C  -0.3041000     -0.2779000      0.5420000    
 C   1.8500000E-02   1.126300      0.1563000    
 C   -1.741000     -0.6847000      0.2301000    
 C  -0.2852000       2.175300       1.024200    
 C   -2.730500     -0.3726000       1.137200    
 C   0.6245000       1.390600      -1.072000    
 C   -2.001100      -1.349900     -0.9485000    
 C   1.6600000E-02   3.488500      0.6637000    
 C   -4.044400     -0.7442000      0.8519000    
 C   0.9265000       2.703900      -1.432400    
 C   -3.315100      -1.721400      -1.233800    
 C   0.6225000       3.752800     -0.5644000    
 C   -4.336600      -1.418600     -0.3334000    
 C    1.936700      -1.021400      0.2956000    
 H  -0.1753000     -0.3930000       1.629100    
 H  -0.7516000       1.986200       1.987200    
 H   -2.513800      0.1472000       2.065100    
 H   0.8520000      0.5983000      -1.779900    
 H   -1.222900      -1.585100      -1.667600    
 H  -0.2189000       4.305100       1.339900    
 H   -4.839700     -0.5093000       1.553300    
 H    1.393400       2.910700      -2.391000    
 H   -3.543500      -2.244100      -2.158000    
 H   0.8567000       4.775400     -0.8455000    
 H   -5.359700      -1.707500     -0.5557000    


%chk=000076824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076824

0 1
O 0.762242 -0.964492 -0.178411
O 2.206162 -0.717460 1.666349
N 2.821235 -1.864420 -0.358056
N 3.986335 -2.142350 0.070018
N 5.091184 -2.484747 0.295973
C -0.303110 -0.135734 0.522011
C -0.059627 1.334540 0.210530
C -1.652094 -0.691051 0.073470
C 0.566043 2.161711 1.175760
C -2.827826 0.019534 0.428756
C -0.422633 1.881664 -1.046414
C -1.769724 -1.914548 -0.628048
C 0.821176 3.522071 0.891748
C -4.100274 -0.488235 0.090673
C -0.160779 3.237755 -1.332918
C -3.045698 -2.417499 -0.972503
C 0.459388 4.062257 -0.363429
C -4.214527 -1.710187 -0.613099
C 1.941053 -1.121402 0.512127
H -0.159410 -0.303781 1.606909
H 0.863770 1.734360 2.140286
H -2.746081 0.972874 0.963899
H -0.909832 1.243621 -1.792234
H -0.865841 -2.460619 -0.910641
H 1.303323 4.155776 1.644021
H -4.999993 0.069767 0.372862
H -0.440237 3.654009 -2.307037
H -3.123945 -3.362779 -1.521148
H 0.658498 5.116651 -0.585806
H -5.202077 -2.103386 -0.878850


