%chk=000110900.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110900

0 1
 O   -5.619600       1.853900      3.7599999E-02
 O  -0.6482000      -2.801900       1.110100    
 N    1.094100      -1.598100      0.1166000    
 N   -3.608200     -0.1408000     -0.2397000    
 C    1.594000     -0.4949000     -0.6550000    
 C    2.390100     -0.9674000      -1.886400    
 C    2.624500      0.3359000      5.3500000E-02
 C    3.416800      0.1319000      -2.192000    
 C    3.657900      0.6902000     -0.8248000    
 C   -2.693200      -1.142600      0.3034000    
 C   -1.253300     -0.8155000     -8.9000002E-02
 C  -0.2585000      -1.839800      0.4431000    
 C    2.620400      0.7959000       1.361500    
 C   -3.299500       1.192500      0.2956000    
 C   -5.003500     -0.4924000      5.8600001E-02
 C    4.704900       1.498700     -0.4134000    
 C    2.100200      -2.547200      0.6069000    
 C   -4.274600       2.218400     -0.2750000    
 C   -5.937900      0.5729000     -0.5076000    
 C    3.679100       1.601100       1.788500    
 C    4.714400       1.949200      0.9077000    
 H   0.8005000      0.1792000     -0.9871000    
 H    1.735100      -1.163900      -2.742600    
 H    2.940700      -1.898100      -1.705100    
 H    2.991400      0.9015000      -2.844100    
 H    4.324000     -0.2815000      -2.641600    
 H   -2.781400      -1.212200       1.395800    
 H   -2.949500      -2.130600     -0.1004000    
 H   -1.167600     -0.7761000      -1.181000    
 H  -0.9344000      0.1377000      0.3422000    
 H    1.815200      0.5438000       2.043600    
 H   -2.304000       1.538600      6.5000001E-03
 H   -3.365000       1.192400       1.391300    
 H   -5.153000     -0.5691000       1.143500    
 H   -5.256300      -1.460400     -0.3887000    
 H    5.498400       1.780500      -1.097200    
 H    2.257200      -3.313300     -0.1584000    
 H    1.736500      -3.051300       1.507700    
 H    3.049000      -2.065300      0.8508000    
 H   -4.085500       3.200800      0.1696000    
 H   -4.166400       2.320000      -1.361800    
 H   -5.885200      0.6173000      -1.602200    
 H   -6.973100      0.3434000     -0.2350000    
 H    3.698200       1.968500       2.811100    
 H    5.526000       2.582100       1.256300    


%chk=000110900-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110900

0 1
O -5.947875 1.733244 -0.210938
O -0.652508 -2.780529 1.095416
N 1.119391 -1.607417 0.160430
N -3.632576 -0.035489 -0.123903
C 1.678214 -0.495583 -0.636400
C 2.370282 -0.927423 -1.974241
C 2.778323 0.310220 0.064551
C 3.425437 0.184546 -2.260109
C 3.769044 0.704231 -0.867993
C -2.637329 -0.938259 0.508023
C -1.205642 -0.648953 0.017378
C -0.235324 -1.757209 0.462771
C 2.861645 0.689515 1.417962
C -3.562890 1.360191 0.383737
C -5.017773 -0.556676 0.030108
C 4.863729 1.487645 -0.451027
C 2.044992 -2.669203 0.607713
C -4.576631 2.246502 -0.358870
C -6.009375 0.349910 -0.714756
C 3.964317 1.472427 1.839616
C 4.957450 1.868912 0.910665
H 0.846021 0.188123 -0.879080
H 1.644139 -1.061449 -2.794009
H 2.886436 -1.891840 -1.818400
H 2.981920 0.995441 -2.872715
H 4.304704 -0.192319 -2.812342
H -2.670838 -0.887748 1.623537
H -2.890490 -1.978095 0.238508
H -1.232585 -0.578529 -1.088003
H -0.851926 0.330669 0.393745
H 2.095469 0.370843 2.134829
H -2.547348 1.764988 0.217136
H -3.773348 1.402000 1.483247
H -5.317489 -0.615930 1.106943
H -5.063339 -1.578121 -0.392515
H 5.637538 1.794882 -1.164324
H 2.189144 -3.442916 -0.170359
H 1.609343 -3.160685 1.490832
H 3.021274 -2.225103 0.863926
H -4.596447 3.265913 0.061172
H -4.308161 2.291014 -1.436796
H -5.780128 0.338372 -1.802296
H -7.049504 0.022826 -0.550860
H 4.053525 1.770329 2.890339
H 5.807889 2.470733 1.250753


