%chk=000025255.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025255

0 1
 O  -0.8799000       2.324500       1.178600    
 N    1.126000       2.952800      0.2429000    
 C   1.7000001E-02  0.9790000     -0.5856000    
 C    1.264600      0.1238000     -0.4560000    
 C   -1.266500      0.1744000     -0.4880000    
 C    1.525300     -0.6664000      0.6820000    
 C   -1.587100     -0.6042000      0.6427000    
 C   2.8100001E-02   2.135600      0.3728000    
 C    2.203700      0.1395000      -1.504600    
 C   -2.177700      0.2271000      -1.559800    
 C   0.6231000     -0.7372000       1.841500    
 C  -0.7179000     -0.7103000       1.824600    
 C    2.725200      -1.395400      0.7519000    
 C   -2.816500      -1.284800      0.6822000    
 C    3.381400     -0.6026000      -1.426800    
 C   -3.385700     -0.4672000      -1.511800    
 C    3.643500      -1.367700     -0.2971000    
 C   -3.706500      -1.220800     -0.3895000    
 H   3.3599999E-02   1.442700      -1.583500    
 H    2.025500      0.7397000      -2.394000    
 H   -1.953800      0.8192000      -2.444200    
 H    1.112600     -0.8566000       2.806500    
 H   -1.236000     -0.8094000       2.776900    
 H    2.954400      -2.001600       1.626300    
 H   -3.091700      -1.880900       1.550300    
 H    4.094700     -0.5772000      -2.245300    
 H   -4.076700     -0.4137000      -2.347800    
 H    4.562600      -1.942300     -0.2297000    
 H   -4.649100      -1.758200     -0.3455000    
 H    1.239400       3.767500      0.8370000    
 H    1.850800       2.795300     -0.4496000    


%chk=000025255-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025255

0 1
O -1.128055 2.758390 0.583066
N 1.187502 2.676702 0.663609
C -0.002064 0.949901 -0.687658
C 1.267402 0.114321 -0.568536
C -1.286354 0.137221 -0.566788
C 1.585355 -0.585763 0.642218
C -1.618057 -0.543566 0.645686
C -0.044878 2.189156 0.272559
C 2.189480 0.085817 -1.644975
C -2.204421 0.123711 -1.641134
C 0.671634 -0.686164 1.787986
C -0.703417 -0.666308 1.787098
C 2.853949 -1.231345 0.741113
C -2.898295 -1.160928 0.753884
C 3.426287 -0.587173 -1.542101
C -3.454466 -0.523001 -1.532783
C 3.764430 -1.240161 -0.332484
C -3.807608 -1.159673 -0.319904
H -0.002141 1.409223 -1.697016
H 1.936876 0.615535 -2.571765
H -1.949369 0.655363 -2.565790
H 1.157326 -0.908705 2.748587
H -1.192906 -0.870317 2.749935
H 3.106863 -1.753038 1.672088
H -3.163993 -1.663954 1.691556
H 4.123221 -0.590010 -2.387049
H -4.155391 -0.508843 -2.374484
H 4.726558 -1.754280 -0.232639
H -4.783029 -1.647124 -0.215277
H 1.214587 3.516382 1.241089
H 2.049373 2.173232 0.457309


