%chk=000042396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042396

0 1
 O  -0.2391000       1.450100      0.3924000    
 O    2.132700       2.956600      0.4496000    
 O   -4.847600      -1.523500     -0.1554000    
 N    2.511300     -0.5978000     -0.5141000    
 C    2.555400      0.5991000      0.3149000    
 C    1.992600       1.823100     -0.4115000    
 C    3.103700      -1.733800      0.1790000    
 C   0.5207000       1.676100     -0.7909000    
 C    4.564900      -1.446700      0.5126000    
 C    2.974700      -2.981600     -0.6888000    
 C   -1.384100      0.7115000      0.2566000    
 C   -2.089000      0.7474000     -0.9418000    
 C   -1.831800     -6.7800000E-02   1.318000    
 C   -3.255700     -4.4999998E-03  -1.080300    
 C   -2.998500     -0.8198000       1.179200    
 C   -3.710300     -0.7882000     -1.9900000E-02
 H    2.013200      0.4384000       1.255400    
 H    3.579200      0.8681000      0.5964000    
 H    2.581400       2.030300      -1.312300    
 H    2.555900      -1.926600       1.110100    
 H    3.003000     -0.4264000      -1.390800    
 H   0.4255000      0.8559000      -1.513100    
 H   0.1680000       2.608000      -1.248100    
 H    4.675300     -0.7407000       1.341700    
 H    5.115900      -1.062300     -0.3534000    
 H    5.068100      -2.367300      0.8314000    
 H    3.518300      -2.872900      -1.634200    
 H    3.376800      -3.858300     -0.1695000    
 H    1.924800      -3.189200     -0.9239000    
 H    1.580500       2.801400       1.235100    
 H   -1.786500       1.366900      -1.780600    
 H   -1.279800     -9.5799997E-02   2.253200    
 H   -3.804900      3.3300001E-02  -2.017400    
 H   -3.347300      -1.428800       2.008800    
 H   -5.208900      -1.383400      -1.047400    


%chk=000042396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042396

0 1
O -0.207196 1.008102 0.407313
O 1.767683 2.933325 0.565557
O -5.485441 -0.965126 0.273651
N 3.121335 -0.368999 -0.670213
C 2.762191 0.666091 0.324324
C 1.928542 1.788816 -0.342689
C 3.429395 -1.727254 -0.144039
C 0.562418 1.285051 -0.824243
C 4.668042 -1.772924 0.792689
C 3.591630 -2.696059 -1.332638
C -1.520567 0.519215 0.270754
C -2.151035 0.262153 -0.968759
C -2.216470 0.279445 1.482731
C -3.475980 -0.234580 -0.990476
C -3.532014 -0.213667 1.459036
C -4.165335 -0.471789 0.219118
H 2.148982 0.189479 1.112778
H 3.630745 1.148616 0.825360
H 2.482502 2.189641 -1.212034
H 2.540750 -2.039664 0.441642
H 3.863966 -0.046041 -1.308350
H 0.696241 0.359235 -1.415768
H 0.040605 2.063254 -1.415179
H 4.557270 -1.064209 1.633555
H 5.586971 -1.505479 0.235268
H 4.808810 -2.784879 1.216693
H 4.456000 -2.404705 -1.962041
H 3.767170 -3.728530 -0.980567
H 2.686901 -2.685044 -1.964831
H 1.044184 2.692089 1.202307
H -1.632177 0.438034 -1.914862
H -1.711635 0.483433 2.431960
H -3.960749 -0.432896 -1.955265
H -4.082054 -0.403723 2.385125
H -5.843278 -1.109610 -0.636908


