%chk=000059652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059652

0 1
 O   -2.209100       1.094100      0.1780000    
 N  -0.2664000     -5.9500001E-02  0.4771000    
 N   -2.322600      -1.179800      1.1600000E-02
 C    1.723100       1.384100     -5.6299999E-02
 C    1.791900      -1.362200     -0.1272000    
 C    2.884500      0.7746000      0.7392000    
 C    1.678700      0.8098000      -1.479400    
 C    2.983200     -0.7415000      0.6080000    
 C    1.639900     -0.7242000      -1.515700    
 C   0.3842000       1.233100      0.6872000    
 C   0.5049000      -1.279600      0.7131000    
 C   -1.597500     -0.1247000      0.2200000    
 C   -3.511300      0.8314000     -0.3198000    
 C   -3.683500     -0.6557000     -0.1357000    
 H    1.921400       2.462300     -0.1273000    
 H    2.018200      -2.428600     -0.2608000    
 H    2.809000       1.052700       1.797500    
 H    3.827300       1.213500      0.3870000    
 H    2.570000       1.148100      -2.023800    
 H   0.8199000       1.216300      -2.027400    
 H    3.902500     -0.9872000      5.9799999E-02
 H    3.100900      -1.193300       1.600400    
 H   0.7120000      -1.065900      -1.990700    
 H    2.452700      -1.076200      -2.164100    
 H   0.5160000       1.397700       1.763600    
 H  -0.2387000       2.063800      0.3364000    
 H  -9.7700000E-02  -2.161300      0.4617000    
 H   0.7264000      -1.369500       1.783500    
 H   -3.551200       1.124100      -1.374300    
 H   -4.256000       1.407000      0.2373000    
 H   -4.257600     -0.8791000      0.7703000    
 H   -4.199700      -1.109600     -0.9868000    


%chk=000059652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059652

0 1
O -2.228891 1.174415 0.100904
N -0.238734 0.043938 0.709512
N -2.192066 -1.172261 -0.013492
C 1.776585 1.406244 -0.008433
C 1.719479 -1.375958 -0.066109
C 2.980469 0.732717 0.713932
C 1.603596 0.822100 -1.436148
C 3.057346 -0.805229 0.466007
C 1.389173 -0.732114 -1.440881
C 0.451983 1.341691 0.812229
C 0.538562 -1.189099 0.942534
C -1.531730 -0.067191 0.262706
C -3.568302 0.794333 -0.446957
C -3.584175 -0.772362 -0.371629
H 2.007956 2.488314 -0.097513
H 1.843901 -2.468501 -0.209228
H 2.911886 0.947217 1.798789
H 3.919385 1.206409 0.367362
H 2.510807 1.075632 -2.019133
H 0.756342 1.322845 -1.942441
H 3.846080 -1.028144 -0.279673
H 3.350603 -1.329982 1.395944
H 0.347878 -0.979485 -1.716735
H 2.039193 -1.189934 -2.211396
H 0.680397 1.557217 1.878344
H -0.246309 2.116924 0.459606
H -0.172425 -2.025932 0.851198
H 0.930575 -1.179331 1.981109
H -3.627262 1.179412 -1.479981
H -4.330261 1.281129 0.182699
H -4.292759 -1.136935 0.397046
H -3.873881 -1.223379 -1.337774


