%chk=000051899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051899

0 1
 O   -1.848400       2.621200       1.952400    
 O  -5.0000002E-04   1.155000      0.4803000    
 O    1.227700       1.359300      -1.438000    
 N   -3.171800     -0.3623000      0.2037000    
 N    2.106000      0.3861000      0.5015000    
 C   -2.755800      0.4970000       1.303900    
 C   -3.063600      -1.773300      0.5803000    
 C   -4.543200     -5.1100001E-02 -0.2051000    
 C   -2.270200       1.863600      0.8148000    
 C   -1.606600      -2.225800      0.5266000    
 C   -4.783600     -0.5051000      -1.642600    
 C   -1.106000       1.774900     -0.1694000    
 C   -1.469200      -3.695600      0.8930000    
 C   -6.196000     -0.1736000      -2.099200    
 C    1.137700      0.9971000     -0.2712000    
 C    3.423700      3.5399999E-02  0.1290000    
 C    4.268400     -0.5816000       1.051900    
 C    3.879200      0.3057000      -1.161500    
 C    5.568600     -0.9280000      0.6844000    
 C    5.179400     -4.1000001E-02  -1.528800    
 C    6.024100     -0.6579000     -0.6059000    
 H   -3.564800      0.6306000       2.036700    
 H   -1.943200      5.8899999E-02   1.895500    
 H   -3.488600      -1.950900       1.577400    
 H   -3.623100      -2.416900     -0.1073000    
 H   -4.723800       1.030300     -0.1774000    
 H   -5.276800     -0.5012000      0.4770000    
 H   -3.092600       2.418200      0.3506000    
 H  -0.9717000      -1.651500       1.208100    
 H   -1.207000      -2.074000     -0.4840000    
 H   -4.636300      -1.583600      -1.759000    
 H   -4.069300     -1.1200000E-02  -2.313100    
 H   -1.384200       1.209700      -1.065700    
 H  -0.8056000       2.786900     -0.4667000    
 H  -0.4198000      -4.002500      0.8410000    
 H   -2.041100      -4.327500      0.2060000    
 H   -1.827200      -3.881000       1.910800    
 H   -6.346400     -0.4996000      -3.133200    
 H   -6.381200      0.9044000      -2.053800    
 H   -6.938900     -0.6775000      -1.472700    
 H   -1.568500       3.496500       1.634300    
 H    1.841300      0.1584000       1.456800    
 H    3.925800     -0.7980000       2.060500    
 H    3.283300      0.7799000      -1.928800    
 H    6.226400      -1.408300       1.402900    
 H    5.535500      0.1687000      -2.533300    
 H    7.036400     -0.9277000     -0.8921000    


%chk=000051899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051899

0 1
O -1.998150 2.797724 1.810154
O 0.067378 1.243845 0.471840
O 1.281967 1.104427 -1.543573
N -3.283359 -0.329305 0.232490
N 2.182958 0.473734 0.562897
C -2.736516 0.574723 1.272894
C -2.948486 -1.761239 0.452431
C -4.726192 -0.096692 -0.045466
C -2.275145 1.915621 0.665129
C -1.492676 -2.111080 0.074487
C -5.126525 -0.431582 -1.498604
C -1.092792 1.761342 -0.293092
C -1.167222 -3.598181 0.330751
C -6.635885 -0.224522 -1.750599
C 1.208312 0.947752 -0.299680
C 3.500502 0.045508 0.241160
C 4.324697 -0.388031 1.314550
C 4.005873 0.034818 -1.086038
C 5.639933 -0.828691 1.065478
C 5.325570 -0.409830 -1.316803
C 6.150593 -0.843074 -0.253619
H -3.475519 0.802598 2.073984
H -1.865573 0.105005 1.760072
H -3.140288 -2.068799 1.512044
H -3.626136 -2.370185 -0.175399
H -4.945594 0.973014 0.139347
H -5.376424 -0.673415 0.660772
H -3.103624 2.340806 0.053804
H -0.791990 -1.473084 0.647722
H -1.340144 -1.861925 -0.993239
H -4.853793 -1.479775 -1.730349
H -4.530393 0.203191 -2.181745
H -1.364241 1.042789 -1.086807
H -0.806246 2.724381 -0.759107
H -0.123071 -3.830584 0.054258
H -1.827390 -4.260334 -0.261240
H -1.300750 -3.859922 1.397983
H -6.902178 -0.458190 -2.797240
H -6.934901 0.822626 -1.553158
H -7.244382 -0.875380 -1.094310
H -1.472317 3.579741 1.505780
H 1.905246 0.442252 1.546477
H 3.935550 -0.379183 2.340877
H 3.370500 0.369730 -1.908443
H 6.264639 -1.159966 1.902351
H 5.710218 -0.416203 -2.342930
H 7.172466 -1.185354 -0.447691


