%chk=000138321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138321

0 1
 O    5.053800      -1.555700     -0.5287000    
 O   -4.915600       1.740000      0.5185000    
 N   0.2003000      0.4508000     -0.3269000    
 N  -0.2467000     -0.5101000      0.3274000    
 N    1.920800       3.248200      -1.057500    
 N   -1.964300      -3.304500       1.061200    
 C    1.088200       1.287300      0.4891000    
 C   -1.130600      -1.344000     -0.4853000    
 C    2.253000      0.4273000       1.013700    
 C   -2.296000     -0.4856000      -1.011300    
 C    3.127000     -0.2050000     -7.7200003E-02
 C   -3.104600      0.2352000      7.5300001E-02
 C   0.2770000       1.849200       1.659200    
 C  -0.3185000      -1.906200      -1.654700    
 C    4.291300     -0.9823000      0.5242000    
 C   -4.193000       1.111900     -0.5314000    
 C    1.554800       2.382800     -0.3762000    
 C   -1.597000      -2.439200      0.3806000    
 H    1.884100     -0.3678000       1.675300    
 H    2.899000       1.058800       1.640200    
 H   -1.925200      0.2641000      -1.723400    
 H   -2.982300      -1.125700      -1.583500    
 H    3.527100      0.5624000     -0.7501000    
 H    2.535000     -0.8781000     -0.7078000    
 H   -2.459900      0.8612000      0.7011000    
 H   -3.565900     -0.4918000      0.7544000    
 H   0.8801000       2.543500       2.256900    
 H  -8.1400000E-02   1.065300       2.336200    
 H  -0.6000000       2.405200       1.306000    
 H   0.5624000      -2.455700      -1.300600    
 H   3.5799999E-02  -1.123400      -2.335200    
 H  -0.9192000      -2.605400      -2.248900    
 H    4.944800     -0.3349000       1.117300    
 H    3.932100      -1.793800       1.164400    
 H   -3.760700       1.894300      -1.162500    
 H   -4.892700      0.5253000      -1.135100    
 H    5.394900     -0.8272000      -1.075000    
 H   -5.322500       1.038900       1.055700    


%chk=000138321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138321

0 1
O 5.131734 -1.599520 -0.609596
O -5.127199 1.612162 0.606357
N 0.008646 0.634286 -0.111871
N -0.004280 -0.623696 0.112584
N 1.999771 3.256796 -1.070774
N -1.997160 -3.244591 1.071821
C 1.152654 1.365959 0.621811
C -1.148534 -1.355235 -0.621606
C 2.337323 0.465663 1.074803
C -2.332290 -0.454383 -1.075500
C 3.182472 -0.128152 -0.072492
C -3.178162 0.139901 0.071025
C 0.457103 2.043566 1.840439
C -0.452355 -2.033590 -1.839378
C 4.333667 -0.997353 0.468138
C -4.328575 1.009455 -0.470707
C 1.609477 2.411097 -0.326373
C -1.606261 -2.399623 0.326904
H 1.905572 -0.354452 1.678582
H 2.979081 1.071755 1.743933
H -1.899732 0.365550 -1.678950
H -2.973799 -1.060164 -1.745175
H 3.601336 0.689565 -0.694219
H 2.554089 -0.754385 -0.731215
H -2.550116 0.766020 0.730165
H -3.597854 -0.677542 0.692542
H 1.152348 2.747720 2.327211
H 0.163014 1.266433 2.566858
H -0.440918 2.598464 1.521987
H 0.445249 -2.588625 -1.519978
H -0.157461 -1.256950 -2.566000
H -1.147417 -2.737801 -2.326344
H 4.976750 -0.402408 1.154058
H 3.938134 -1.861742 1.028371
H -3.932279 1.873579 -1.030805
H -4.971381 0.414633 -1.156985
H 5.536718 -0.875834 -1.151701
H -5.533963 0.888742 1.147479


