%chk=000046246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046246

0 1
 O   0.9501000       2.368300      0.3913000    
 O    1.473500      -1.851400      8.5100003E-02
 O   -3.488500      0.5407000     -0.1431000    
 N    3.459500       1.649700     -0.9295000    
 C    1.351700      0.9966000      0.2696000    
 C   0.1069000      0.1170000      0.1120000    
 C    2.228000      0.8650000     -0.9984000    
 C    2.118300      0.6446000       1.556400    
 C   0.2532000      -1.248000      3.0500000E-02
 C   -1.118400      0.7408000      5.7500001E-02
 C   -2.261600     -4.5600001E-02 -8.6499996E-02
 C  -0.8901000      -2.034300     -0.1134000    
 C   -2.147400      -1.433000     -0.1720000    
 C    1.497800      -3.274100     -9.8999999E-03
 C   -3.533000       1.963800     -4.9699999E-02
 H    1.665000       1.219600      -1.870900    
 H    2.518600     -0.1662000      -1.212500    
 H    1.434900      0.6064000       2.413900    
 H    2.859200       1.414200       1.803000    
 H    2.645600     -0.3113000       1.502700    
 H   -1.183200       1.817600      0.1216000    
 H    1.740600       2.905800      0.5655000    
 H  -0.8793000      -3.116200     -0.1863000    
 H    4.033500       1.333600     -0.1499000    
 H    3.242100       2.628100     -0.7503000    
 H   -3.035100      -2.049800     -0.2841000    
 H    1.121700      -3.620800     -0.9784000    
 H   0.9791000      -3.744200      0.8326000    
 H    2.546700      -3.582500      5.1700000E-02
 H   -3.162000       2.316800      0.9185000    
 H   -4.586200       2.257400     -0.1117000    
 H   -3.020900       2.439900     -0.8929000    


%chk=000046246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046246

0 1
O 1.001224 2.373718 0.427998
O 1.483524 -1.905820 0.037630
O -3.593514 0.565946 -0.141612
N 3.298726 2.032102 -0.792197
C 1.398685 0.958530 0.390777
C 0.143783 0.107596 0.153325
C 2.414263 0.833373 -0.806301
C 2.067492 0.599210 1.743192
C 0.197126 -1.305704 -0.006662
C -1.115954 0.746320 0.109437
C -2.303178 0.002847 -0.087896
C -0.992056 -2.049546 -0.204269
C -2.240836 -1.399029 -0.244296
C 1.552422 -3.360120 -0.098372
C -3.693797 2.015305 0.037936
H 1.840222 0.848515 -1.749286
H 2.955904 -0.126330 -0.743721
H 1.367425 0.830022 2.563745
H 2.977173 1.210850 1.896777
H 2.337200 -0.469407 1.785713
H -1.111920 1.831678 0.231611
H 1.833844 2.827096 0.060657
H -0.960599 -3.135645 -0.329494
H 4.128775 1.934614 -0.198685
H 3.542508 2.387854 -1.720441
H -3.167673 -1.960545 -0.394742
H 1.161842 -3.695856 -1.079274
H 0.996850 -3.870086 0.713017
H 2.622465 -3.607191 -0.024113
H -3.305137 2.327613 1.026768
H -4.768835 2.240589 -0.027976
H -3.147653 2.560000 -0.756847


