%chk=000058714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058714

0 1
 O    3.394300      -1.317500      0.1709000    
 O   0.3324000       1.944400     -9.8600000E-02
 N   -1.741700      0.3881000      0.7937000    
 N  -0.4524000     -9.8800004E-02  0.6340000    
 N    2.041000      -1.093200      0.3927000    
 C   -4.102800      0.1055000      0.1999000    
 C   -2.671600     -0.3789000     -2.6500000E-02
 C   -5.093200     -0.6722000     -0.6676000    
 C   -6.523900     -0.2202000     -0.4220000    
 C   0.5355000      0.7621000      0.1765000    
 C    1.877800      0.1725000      6.2199999E-02
 C    3.025900      0.8149000     -0.3662000    
 C    3.970000     -0.1739000     -0.2807000    
 C    5.408500     -0.2328000     -0.5682000    
 H   -4.175500       1.175300     -3.3399999E-02
 H   -4.371800     -1.3100000E-02   1.257200    
 H   -2.606900      -1.446400      0.2199000    
 H   -2.412500     -0.2649000      -1.086400    
 H   -5.014700      -1.744400     -0.4531000    
 H   -4.848200     -0.5344000      -1.727200    
 H   -1.979800      0.2766000       1.778600    
 H   -7.214400     -0.7882000      -1.053200    
 H   -6.811300     -0.3772000      0.6225000    
 H   -6.645200      0.8422000     -0.6563000    
 H  -0.2648000      -1.066100      0.8802000    
 H    3.171700       1.834400     -0.6911000    
 H    5.970300     -0.4999000      0.3322000    
 H    5.616700     -0.9817000      -1.338500    
 H    5.780000      0.7328000     -0.9252000    


%chk=000058714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058714

0 1
O 3.503808 -1.376563 0.179486
O 0.378897 2.029688 -0.106099
N -1.778449 0.336981 0.818322
N -0.428313 -0.046022 0.698762
N 2.081377 -1.137398 0.430817
C -4.157665 0.066896 0.194114
C -2.717115 -0.426806 -0.037474
C -5.189711 -0.695640 -0.667657
C -6.634421 -0.202806 -0.437375
C 0.542904 0.821344 0.213223
C 1.897269 0.165411 0.104402
C 3.104666 0.800159 -0.344610
C 4.081901 -0.178374 -0.287947
C 5.541362 -0.228039 -0.601194
H -4.201047 1.149751 -0.030174
H -4.425174 -0.049935 1.266575
H -2.665642 -1.528831 0.151122
H -2.426306 -0.259636 -1.090652
H -5.128207 -1.780304 -0.444203
H -4.925605 -0.581166 -1.738322
H -2.069079 0.395933 1.804084
H -7.354324 -0.758061 -1.065913
H -6.935912 -0.334914 0.618917
H -6.730477 0.871637 -0.681690
H -0.137714 -1.019292 0.886682
H 3.196104 1.835817 -0.657764
H 6.130337 -0.503310 0.292024
H 5.754378 -0.977380 -1.384524
H 5.885557 0.755860 -0.956632


