%chk=000002002.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002002

0 1
 O    4.141200       1.475800     -6.1299998E-02
 O    3.706600     -0.1479000      -1.584500    
 O    1.444600      -1.454600       2.191900    
 N   -2.133100       1.703900       1.311500    
 N    1.562100     -0.9638000     -7.8400001E-02
 C   0.9629000       1.385200     -0.5978000    
 C  -0.3856000       1.311600      3.0000001E-04
 C    1.994400      0.4260000      4.9800001E-02
 C   -1.446800      0.4544000     -0.4046000    
 C   -2.531400      0.7207000      0.4340000    
 C  -0.8379000       2.067500       1.057100    
 C   -1.589400     -0.5254000      -1.407100    
 C   -3.756200      5.3500000E-02  0.3197000    
 C    3.352500      0.5232000     -0.6236000    
 C   -2.808600      -1.200900      -1.533300    
 C   -3.874100     -0.9143000     -0.6820000    
 C    1.328700      -1.771000       1.010800    
 C   0.8701000      -3.143900      0.5976000    
 H   0.9009000       1.179000      -1.674900    
 H    1.343300       2.412800     -0.5227000    
 H    2.116100      0.6592000       1.114200    
 H  -0.3557000       2.830500       1.652400    
 H   -2.713500       2.099400       2.038200    
 H    1.458200      -1.344100      -1.015100    
 H  -0.7714000     -0.7606000      -2.081900    
 H   -4.586100      0.2758000      0.9820000    
 H   -2.924300      -1.957300      -2.304900    
 H   -4.812200      -1.451200     -0.7977000    
 H   0.9258000      -3.822300       1.453400    
 H  -0.1641000      -3.092600      0.2465000    
 H    1.507200      -3.537000     -0.2000000    
 H    5.010100       1.543400     -0.5115000    


%chk=000002002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002002

0 1
O 4.025399 1.732199 -0.537568
O 3.851246 -0.335993 -1.584407
O 1.198782 -1.013746 2.306839
N -2.052722 1.328245 1.512660
N 1.669939 -1.006559 0.027005
C 1.030575 1.368656 -0.613061
C -0.327207 1.214982 0.018753
C 2.101197 0.387916 0.010889
C -1.449776 0.457339 -0.509812
C -2.520264 0.544736 0.451299
C -0.736824 1.726157 1.250625
C -1.661735 -0.285496 -1.702483
C -3.770309 -0.082368 0.254866
C 3.400273 0.505936 -0.775054
C -2.905902 -0.913819 -1.905184
C -3.949202 -0.814906 -0.936232
C 1.234055 -1.622503 1.193713
C 0.777479 -3.067561 1.031781
H 0.964183 1.173963 -1.700883
H 1.423373 2.394493 -0.491168
H 2.266185 0.684939 1.062085
H -0.179229 2.322069 1.970785
H -2.572703 1.545625 2.359562
H 1.769059 -1.546556 -0.834977
H -0.872207 -0.367786 -2.458624
H -4.574878 -0.007301 0.995112
H -3.082571 -1.488263 -2.821505
H -4.905865 -1.315418 -1.123111
H 1.096659 -3.646381 1.913059
H -0.326737 -3.093439 0.993187
H 1.168225 -3.547080 0.117443
H 4.845805 1.802923 -1.097494


