%chk=000056500.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056500

0 1
 O  -0.1372000      0.6649000     -9.3000002E-02
 O   0.1392000      0.7987000       2.189800    
 O    2.779400      0.8183000       1.997200    
 N   -3.765800      -1.042600     -0.6032000    
 C   -3.522300     -0.7454000      0.8211000    
 C   -3.714100      0.2931000      -1.227200    
 C   -4.359400      0.5078000       1.099700    
 C   -4.486900       1.197600     -0.2608000    
 C   -2.011600     -0.4687000      0.9533000    
 C   -2.223200      0.6767000      -1.305700    
 C   -1.549400      0.7024000      7.3399998E-02
 C   -5.038000      -1.723900     -0.8295000    
 C   0.6047000      0.7207000       1.059000    
 C    2.099700      0.6661000      0.7477000    
 C    2.463500     -0.6993000      0.1673000    
 C    2.485000       1.810300     -0.1046000    
 C    2.496000     -0.8487000      -1.201400    
 C    2.746500      -1.732200       1.033300    
 C    2.828400      -2.095300      -1.731600    
 C    3.079000      -2.978700      0.5030000    
 C    2.795400       2.748800     -0.7875000    
 C    3.119900      -3.160200     -0.8794000    
 C    3.171000       3.889500      -1.621000    
 H   -3.792500      -1.577500       1.481100    
 H   -4.139800      0.3084000      -2.236700    
 H   -3.904200       1.164100       1.848600    
 H   -5.356300      0.2336000       1.464600    
 H   -5.544600       1.251900     -0.5444000    
 H   -4.100000       2.221600     -0.2371000    
 H   -1.815800     -0.2794000       2.012800    
 H   -1.445800      -1.374900      0.6971000    
 H   -1.694300     -2.8800000E-02  -1.961500    
 H   -2.108900       1.659600      -1.780200    
 H   -1.806200       1.652300      0.5608000    
 H   -5.031200      -2.703200     -0.3382000    
 H   -5.177600      -1.911200      -1.899900    
 H   -5.909700      -1.169800     -0.4668000    
 H    2.553600       1.690200       2.365300    
 H    2.254400     -4.6900000E-02  -1.891000    
 H    2.706200      -1.619800       2.112100    
 H    2.855200      -2.238400      -2.807900    
 H    3.302200      -3.809400       1.166300    
 H    3.376800      -4.131500      -1.292300    
 H    3.508300       3.556400      -2.607100    
 H    3.983100       4.458800      -1.158700    
 H    2.321400       4.564200      -1.762800    


%chk=000056500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056500

0 1
O -0.097713 0.443278 -0.011640
O 0.247037 1.199535 2.167863
O 2.910561 0.971669 2.008498
N -3.931805 -1.001193 -0.729058
C -3.632502 -0.880709 0.734928
C -3.723034 0.410218 -1.188890
C -4.370315 0.431825 1.197665
C -4.432596 1.304402 -0.103287
C -2.092174 -0.766298 0.886588
C -2.192051 0.659658 -1.239413
C -1.596407 0.504822 0.167763
C -5.282404 -1.535171 -1.023495
C 0.676426 0.815231 1.049531
C 2.216484 0.762680 0.732023
C 2.607745 -0.628376 0.194161
C 2.507658 1.863209 -0.213802
C 2.633266 -0.896930 -1.193841
C 2.903672 -1.661697 1.114202
C 2.950923 -2.191899 -1.659534
C 3.221674 -2.956065 0.646505
C 2.761078 2.811621 -0.960121
C 3.244289 -3.226702 -0.741295
C 3.081161 3.943323 -1.841071
H -3.989173 -1.777775 1.269412
H -4.151180 0.547681 -2.196664
H -3.832207 0.935693 2.020257
H -5.384253 0.196909 1.566470
H -5.477705 1.510342 -0.393936
H -3.929389 2.280537 0.018203
H -1.804310 -0.735455 1.952865
H -1.629225 -1.652584 0.417360
H -1.736775 -0.088893 -1.911254
H -1.970131 1.667140 -1.637190
H -1.799231 1.394714 0.792409
H -5.353091 -2.567933 -0.638574
H -5.424174 -1.574185 -2.118149
H -6.125627 -0.947018 -0.587579
H 2.272869 1.454109 2.607092
H 2.407950 -0.093956 -1.903310
H 2.913191 -1.432460 2.183611
H 2.972097 -2.392675 -2.736701
H 3.458561 -3.749934 1.363944
H 3.493324 -4.230663 -1.103623
H 3.416405 3.593839 -2.834773
H 3.892455 4.558457 -1.410340
H 2.202744 4.597880 -1.989812


