%chk=000044159.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044159

0 1
 O    2.646900       1.367000       1.214900    
 N    1.962700     -0.2030000     -1.5000000E-02
 N    2.373800       1.048400      5.1399998E-02
 C  -0.4374000     -7.3299997E-02 -0.5181000    
 C   0.9217000     -0.4433000      -1.014600    
 C   -1.238700      -1.005200      0.1415000    
 C  -0.9024000       1.225700     -0.7224000    
 C   -2.505100     -0.6380000      0.5967000    
 C  -0.7626000      -2.401900      0.3715000    
 C   -2.168600       1.593100     -0.2671000    
 C   -2.970000      0.6612000      0.3924000    
 C    3.079700      -1.130800     -0.2312000    
 H   0.9084000      -1.494200      -1.331400    
 H    1.138900      9.5500000E-02  -1.950200    
 H  -0.2926000       1.963100      -1.237900    
 H   -3.143000      -1.351700       1.111300    
 H  -0.6836000      -2.944500     -0.5760000    
 H   0.2038000      -2.410800      0.8852000    
 H   -1.458100      -2.962600       1.006500    
 H   -2.531100       2.604300     -0.4269000    
 H   -3.956200      0.9472000      0.7464000    
 H    2.738700      -2.170300     -0.1577000    
 H    3.852300      -1.011000      0.5390000    
 H    3.550600     -0.9909000      -1.212500    


%chk=000044159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044159

0 1
O 3.066974 0.703814 1.495271
N 2.000955 -0.306842 -0.215529
N 2.066793 0.744031 0.685182
C -0.476533 0.062876 -0.619216
C 0.897372 -0.220788 -1.212019
C -1.149780 -0.902536 0.188814
C -1.111237 1.291751 -0.918417
C -2.445089 -0.593946 0.672446
C -0.504752 -2.229916 0.547674
C -2.403245 1.585319 -0.431063
C -3.073554 0.635244 0.370125
C 3.029367 -1.357973 -0.304911
H 0.898620 -1.192854 -1.739363
H 1.148824 0.557470 -1.958014
H -0.579428 2.031470 -1.528935
H -2.968256 -1.330125 1.294637
H -0.146587 -2.774086 -0.348303
H 0.368827 -2.083301 1.210896
H -1.218495 -2.886931 1.072550
H -2.876541 2.544098 -0.668607
H -4.075947 0.847854 0.758194
H 2.571680 -2.357709 -0.196846
H 3.747138 -1.185538 0.514643
H 3.560995 -1.307383 -1.273409


