%chk=000059146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059146

0 1
 O    3.646600     -0.1072000      -1.269300    
 N    1.651300      0.3511000     -0.2585000    
 N    3.597800     -0.2163000       1.010200    
 C   -1.596200     -0.1251000      0.2023000    
 C   -1.214700      -1.564900      0.4401000    
 C   -2.183000      -2.558600     -0.1989000    
 C   -3.623400      -2.174900      0.1146000    
 C   -3.952400     -0.8052000     -0.4761000    
 C   -2.898300      0.2353000     -0.1912000    
 C  -0.6443000      0.8792000      0.4355000    
 C   -3.210700       1.590300     -0.3787000    
 C   0.7480000      0.5516000      0.8736000    
 C  -0.9705000       2.222800      0.2552000    
 C   -2.252400       2.578100     -0.1543000    
 C    2.958600      4.6000001E-03 -9.6500002E-02
 C    5.005100     -0.2421000     -0.8835000    
 C    4.938500     -0.6187000      0.5756000    
 H  -0.2203000      -1.779200      3.3199999E-02
 H   -1.186100      -1.740400       1.522900    
 H   -2.036900      -2.576800      -1.286500    
 H   -1.971500      -3.568400      0.1706000    
 H   -3.770100      -2.157600       1.202100    
 H   -4.311600      -2.925100     -0.2904000    
 H   -4.920000     -0.4747000     -7.9899997E-02
 H   -4.053900     -0.8960000      -1.565000    
 H    1.136700       1.373100       1.490300    
 H   0.7638000     -0.3241000       1.532400    
 H   -4.206800       1.882700     -0.7023000    
 H  -0.2346000       3.004200      0.4261000    
 H   -2.506500       3.623900     -0.3000000    
 H    1.285200      0.4956000      -1.195200    
 H    5.512800      0.7155000      -1.039800    
 H    5.498900      -1.008800      -1.487300    
 H    5.054200      -1.699700      0.7117000    
 H    5.717900     -0.1168000       1.156900    


%chk=000059146-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059146

0 1
O 3.519320 -0.042417 -1.306987
N 1.633857 0.869772 -0.258674
N 3.180276 -0.507331 0.974873
C -1.469870 0.084419 0.192471
C -0.816065 -1.288639 0.348333
C -1.629387 -2.441476 -0.279992
C -3.121735 -2.323707 0.093746
C -3.698842 -1.017078 -0.490171
C -2.837466 0.208069 -0.186249
C -0.713709 1.266401 0.464431
C -3.421058 1.496906 -0.291699
C 0.750673 1.190228 0.882217
C -1.320123 2.539435 0.355101
C -2.674665 2.661411 -0.026414
C 2.758275 0.102388 -0.107631
C 4.695339 -0.879590 -0.912188
C 4.417917 -1.255268 0.589689
H 0.202435 -1.267536 -0.080229
H -0.678390 -1.493096 1.431791
H -1.531816 -2.411375 -1.384269
H -1.214075 -3.410824 0.054435
H -3.224253 -2.322721 1.197642
H -3.692335 -3.191588 -0.287636
H -4.727206 -0.844592 -0.117892
H -3.786522 -1.129509 -1.591934
H 1.054387 2.153834 1.339199
H 0.927008 0.405376 1.638321
H -4.477164 1.579283 -0.579538
H -0.728205 3.436291 0.577785
H -3.141378 3.649302 -0.106640
H 1.480626 1.326222 -1.156973
H 5.601033 -0.263872 -1.046101
H 4.723926 -1.749143 -1.588896
H 4.253654 -2.341807 0.714555
H 5.256739 -0.960369 1.245423


