%chk=000075861.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075861

0 1
 O   -3.085700       1.732100      0.3871000    
 N  -0.1369000     -6.0000001E-03 -5.6800000E-02
 N  -0.8464000       1.155700      0.1094000    
 C   -2.422100     -0.5721000     -9.0999998E-02
 C   -1.009700      -1.151700      0.1272000    
 C   -2.205300      0.9092000      0.1810000    
 C   -2.876000     -0.7454000      -1.543900    
 C   -3.442400      -1.169000      0.8726000    
 C    1.253100     -1.5400000E-02 -2.7100001E-02
 C    1.965300      -1.210100      0.1975000    
 C    1.990900       1.169100     -0.2215000    
 C    3.360000      -1.220000      0.2265000    
 C    3.385400       1.159100     -0.1926000    
 C    4.069900     -3.5500001E-02  3.1399999E-02
 H  -0.8953000      -1.545400       1.144800    
 H  -0.7881000      -1.955000     -0.5846000    
 H   -2.162600     -0.2987000      -2.246000    
 H   -2.981900      -1.805300      -1.799500    
 H   -3.843000     -0.2582000      -1.714400    
 H   -3.524600      -2.252900      0.7379000    
 H   -3.164200     -0.9766000       1.915100    
 H   -4.435800     -0.7321000      0.7197000    
 H  -0.3893000       2.041000      0.2808000    
 H    1.445600      -2.151800      0.3549000    
 H    1.505600       2.120000     -0.4228000    
 H    3.893400      -2.149900      0.4010000    
 H    3.939200       2.080200     -0.3498000    
 H    5.155800     -4.3299999E-02  5.2600000E-02


%chk=000075861-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075861

0 1
O -3.129710 1.803269 0.319794
N -0.115452 0.005900 -0.337981
N -0.885233 1.181462 -0.016908
C -2.432303 -0.596213 -0.078678
C -0.981797 -1.140997 0.055441
C -2.238764 0.932107 0.119657
C -2.984035 -0.808681 -1.516720
C -3.397456 -1.173907 0.973588
C 1.278212 0.010809 -0.125115
C 1.966432 -1.226174 0.052372
C 2.038022 1.217639 -0.151612
C 3.368198 -1.246799 0.190805
C 3.439514 1.178468 -0.002980
C 4.120173 -0.049024 0.167675
H -0.768639 -1.446663 1.103548
H -0.795183 -1.997310 -0.613399
H -2.270446 -0.442414 -2.276973
H -3.165757 -1.884089 -1.698895
H -3.936834 -0.265997 -1.643273
H -3.558274 -2.255104 0.807103
H -3.010887 -1.030963 1.998735
H -4.371931 -0.660130 0.906192
H -0.466450 2.106150 -0.098173
H 1.409982 -2.167728 0.079977
H 1.557124 2.190169 -0.305149
H 3.875229 -2.209073 0.325588
H 4.002544 2.118413 -0.025430
H 5.208617 -0.071121 0.280310


