%chk=000036384.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036384

0 1
 O    1.119400      -1.894700      0.8191000    
 N   -1.806800     -0.5892000     -0.3399000    
 N  -6.5600000E-02  -1.110100      -1.719600    
 C   -2.497600     -0.9521000      -1.549900    
 C  -0.4613000     -0.7773000     -0.5154000    
 C   -2.516600     -0.3705000      0.8927000    
 C   0.5239000     -0.6272000      0.6022000    
 C   -1.324400      -1.130700      -2.522000    
 C   -2.551600       1.115200       1.240900    
 C   -3.285000       1.950700      0.1887000    
 C    1.574200      0.4008000      0.2733000    
 C   -3.360300       3.414200      0.5955000    
 C    2.739500      5.2000000E-03 -0.3682000    
 C    1.361400       1.728700      0.6157000    
 C   0.1477000      -2.885600       1.132200    
 C    3.712300      0.9572000     -0.6732000    
 C    2.334200       2.680600      0.3106000    
 C   0.8469000      -4.210200       1.351200    
 C    3.509700       2.294800     -0.3339000    
 H   -3.038600      -1.896000      -1.422300    
 H   -3.194900     -0.1838000      -1.895300    
 H   -2.069200     -0.9372000       1.715100    
 H   -3.545200     -0.7426000      0.8047000    
 H   4.0500000E-02 -0.3275000       1.536900    
 H   -1.293100     -0.3128000      -3.250200    
 H   -1.405400      -2.075500      -3.068900    
 H   -1.542100       1.502900       1.378100    
 H   -3.061500       1.229100       2.205700    
 H   -4.299600       1.563300      4.1999999E-02
 H   -2.766600       1.892500     -0.7742000    
 H   -2.358800       3.839000      0.7180000    
 H   -3.884100       3.994400     -0.1706000    
 H   -3.901600       3.531600       1.539700    
 H    2.917000      -1.027900     -0.6523000    
 H   0.4637000       2.050000       1.128200    
 H  -0.3863000      -2.605200       2.046600    
 H  -0.5729000      -3.029700      0.3220000    
 H    4.626600      0.6576000      -1.177000    
 H    2.178000       3.721800      0.5773000    
 H    1.581400      -4.129400       2.159400    
 H    1.395300      -4.509800      0.4518000    
 H   0.1290000      -4.995300       1.604700    
 H    4.267100       3.036100     -0.5713000    


%chk=000036384-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036384

0 1
O 1.257683 -2.090081 0.847412
N -1.965537 -0.607300 -0.318989
N -0.369504 -1.739929 -1.554991
C -2.713964 -0.962621 -1.556151
C -0.663848 -1.126476 -0.422056
C -2.636755 -0.029567 0.854967
C 0.354404 -0.940514 0.707649
C -1.599652 -1.655087 -2.417661
C -2.469387 1.502707 1.017777
C -3.022210 2.324886 -0.167284
C 1.247614 0.275170 0.468864
C -2.888460 3.846336 0.057081
C 1.961817 0.393709 -0.749433
C 1.405094 1.262962 1.469220
C 0.568392 -3.367282 1.115691
C 2.820842 1.493347 -0.960085
C 2.261586 2.367746 1.256218
C 1.658068 -4.412793 1.351581
C 2.970651 2.485374 0.039069
H -3.554528 -1.645928 -1.314710
H -3.134079 -0.063688 -2.044001
H -2.281405 -0.535214 1.775431
H -3.716119 -0.266172 0.767324
H -0.199979 -0.802476 1.663704
H -1.359468 -1.065920 -3.322104
H -1.892139 -2.667490 -2.749076
H -1.397169 1.742054 1.155264
H -2.989850 1.805197 1.951280
H -4.088667 2.064141 -0.332698
H -2.476751 2.040433 -1.088214
H -1.828682 4.131271 0.195284
H -3.282529 4.417705 -0.803250
H -3.443624 4.166825 0.959136
H 1.830185 -0.381274 -1.512474
H 0.871249 1.161190 2.423075
H -0.085000 -3.259059 2.012344
H -0.061512 -3.634385 0.243861
H 3.375627 1.578868 -1.901490
H 2.379333 3.127486 2.037255
H 2.286996 -4.135663 2.215273
H 2.306009 -4.488875 0.461755
H 1.207011 -5.403715 1.544468
H 3.636957 3.339502 -0.128218


