%chk=000135882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135882

0 1
 O   -1.305300      -2.047800      5.5000000E-03
 N    2.403500       2.964300      -1.218900    
 C   -2.790100      0.3768000      4.3000001E-03
 C    1.534800      -2.177300     -3.1999999E-03
 C   -1.252900      0.3404000     -6.0000003E-04
 C   0.7831000     -0.8869000     -4.0000002E-03
 C  -0.6116000     -0.8733000      3.9999999E-04
 C   0.8070000       1.528900     -9.8000001E-03
 C  -0.5878000       1.542600     -5.7000001E-03
 C    1.492500      0.3140000     -8.9999996E-03
 C   -3.275000       1.842800      2.4000001E-03
 C   -3.322600     -0.3325000       1.268200    
 C   -3.435800     -0.3189000      -1.215400    
 C   0.8157000      -3.370700      0.7073000    
 C    1.816500      -2.666800      -1.457000    
 C    2.908800      -2.028900      0.7193000    
 C    1.565400       2.813000     -1.5000000E-02
 C    2.453800       2.980300       1.231200    
 H   -1.056000       2.517000     -7.8999996E-03
 H    2.575300      0.3386000     -4.1000001E-02
 H   -4.372900       1.872500      1.7700000E-02
 H   -2.979000       2.387300     -0.9025000    
 H   -2.960000       2.394900      0.8963000    
 H   -3.177900      -1.416000       1.264100    
 H   -4.402000     -0.1687000       1.375700    
 H   -2.844100      6.2500000E-02   2.172600    
 H   -3.042200      9.6000001E-02  -2.150800    
 H   -4.523100     -0.1772000      -1.220800    
 H   -3.260600      -1.397800      -1.240400    
 H    1.530900      -4.172400      0.9338000    
 H   0.3768000      -3.066200       1.664400    
 H   5.6499999E-02  -3.859100      8.9500003E-02
 H    2.397900      -1.923300      -2.014700    
 H    2.383300      -3.604700      -1.458600    
 H   0.8848000      -2.832900      -2.009500    
 H    3.398700      -3.003200      0.8401000    
 H    3.620900      -1.418600      0.1535000    
 H    2.791400      -1.598100       1.720600    
 H   0.8599000       3.653200     -2.1600001E-02
 H    1.856400       2.889700       2.145600    
 H    2.927700       3.968500       1.240400    
 H    3.250200       2.229200       1.279400    
 H   -1.143400      -2.466100     -0.8586000    
 H    3.168700       2.290800      -1.195400    
 H    2.847100       3.882600      -1.206000    


%chk=000135882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135882

0 1
O -1.386472 -2.028106 -0.198858
N 2.267238 3.167697 -1.014619
C -2.884025 0.425936 -0.160446
C 1.600523 -2.252800 -0.010250
C -1.337295 0.379904 -0.049465
C 0.818880 -0.905988 0.020765
C -0.608666 -0.848759 -0.073839
C 0.830318 1.566832 0.177676
C -0.576956 1.566697 0.074406
C 1.504731 0.326366 0.149568
C -3.425818 1.880706 -0.112293
C -3.531966 -0.352340 1.026000
C -3.340390 -0.194891 -1.516990
C 1.204241 -3.155706 1.204493
C 1.372119 -2.997428 -1.367432
C 3.134938 -2.034420 0.103147
C 1.602273 2.883449 0.286371
C 2.581081 2.901814 1.496146
H -1.091861 2.531301 0.082980
H 2.594386 0.317752 0.240011
H -4.527684 1.853481 -0.196232
H -3.041796 2.494114 -0.948352
H -3.175862 2.385654 0.839400
H -3.219062 -1.407767 1.028977
H -4.634873 -0.312255 0.940246
H -3.246443 0.103181 1.992766
H -2.912415 0.370300 -2.365975
H -4.443663 -0.150082 -1.595736
H -3.025287 -1.246302 -1.600559
H 1.763498 -4.109256 1.165892
H 1.456904 -2.644211 2.150620
H 0.128481 -3.406104 1.261452
H 1.729977 -2.370878 -2.204166
H 1.939385 -3.946822 -1.377887
H 0.316294 -3.241094 -1.589054
H 3.643945 -3.015426 0.076789
H 3.526791 -1.431548 -0.735908
H 3.411361 -1.539852 1.051791
H 0.859487 3.689564 0.451894
H 2.044096 2.735441 2.448898
H 3.094462 3.880571 1.557752
H 3.357313 2.120172 1.397656
H -0.804496 -2.824217 -0.201192
H 2.692653 2.342590 -1.449235
H 2.904954 3.971232 -0.991311


