%chk=000076323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076323

0 1
 O    1.288500      0.3673000     -0.2654000    
 O   -1.507300       1.232900       1.766500    
 O    2.486700       2.344700      4.0100001E-02
 N   -1.004800       1.556700     -0.4739000    
 C   -2.823900      8.7300003E-02  0.2003000    
 C   0.1068000       2.457000     -0.2680000    
 C   -1.750000      0.9954000      0.5698000    
 C   -3.227800     -0.9122000       1.085500    
 C   -3.450400      0.2159000      -1.039400    
 C    2.497600     -0.3248000     -0.1562000    
 C    1.433600       1.742900     -0.1448000    
 C   -4.258300      -1.782900      0.7310000    
 C   -4.481000     -0.6547000      -1.393700    
 C   -4.885000      -1.654100     -0.5085000    
 C    2.911500     -0.7403000       1.089600    
 C    3.228100     -0.5625000      -1.299000    
 C    4.119100      -1.430000       1.198200    
 C    4.435600      -1.252400      -1.190300    
 C    4.881100      -1.686200      5.8200002E-02
 H  -6.2799998E-02   3.034500      0.6455000    
 H   0.1488000       3.122800      -1.134400    
 H   -1.181000       1.275000      -1.432400    
 H   -2.749600      -1.032300       2.054100    
 H   -3.188800      0.9985000      -1.745400    
 H   -4.572500      -2.561700       1.419800    
 H   -4.974100     -0.5504000      -2.355800    
 H   -5.688400      -2.331100     -0.7837000    
 H    2.317800     -0.5415000       1.976300    
 H    2.880900     -0.2254000      -2.270600    
 H    4.465900      -1.767800       2.170400    
 H    5.028700      -1.451800      -2.078000    
 H    5.821300      -2.223300      0.1429000    


%chk=000076323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076323

0 1
O 1.606455 0.396711 0.127541
O -2.667866 2.306078 1.300441
O 2.500574 2.264088 1.253214
N -0.889591 1.048980 0.530915
C -3.184631 0.238045 0.118077
C 0.071147 2.017017 1.053569
C -2.245737 1.270361 0.689201
C -4.554487 0.350123 0.468501
C -2.776685 -0.811488 -0.747336
C 2.861426 -0.224566 -0.195793
C 1.522699 1.612107 0.848918
C -5.497936 -0.574761 -0.023741
C -3.721827 -1.736511 -1.241951
C -5.084084 -1.623261 -0.878994
C 3.936157 -0.291861 0.715550
C 2.917590 -0.839032 -1.463026
C 5.099120 -0.995882 0.328568
C 4.086321 -1.541060 -1.831260
C 5.179788 -1.620419 -0.937424
H -0.087815 2.185323 2.137121
H -0.073266 3.011191 0.585448
H -0.513132 0.206100 0.097314
H -4.848137 1.175890 1.124838
H -1.732103 -0.912840 -1.066314
H -6.552655 -0.479613 0.256328
H -3.398198 -2.540210 -1.912374
H -5.815857 -2.342448 -1.263395
H 3.877769 0.197631 1.689610
H 2.061128 -0.761161 -2.139716
H 5.943500 -1.053593 1.023601
H 4.140575 -2.021961 -2.813627
H 6.086060 -2.163479 -1.225102


