%chk=000040298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040298

0 1
 O    3.128500       1.215400     -0.1344000    
 O    3.295200      -1.551800     -0.3115000    
 N   -2.962900      8.8600002E-02 -1.9300001E-02
 C   -1.794900       1.009200      3.2200001E-02
 C  -0.4329000      0.3158000     -5.7200000E-02
 C   -2.701400      -1.183400      0.6647000    
 C   -1.575100      -1.927200     -4.5400001E-02
 C  -0.3328000      -1.085800     -9.5799997E-02
 C   -1.934500       2.024000      -1.118800    
 C   0.7528000       1.071100     -4.8500001E-02
 C   -4.165500      0.7045000      0.5547000    
 C   0.9229000      -1.701500     -0.1993000    
 C    2.000500      0.4512000     -0.1348000    
 C    2.085000     -0.9344000     -0.2198000    
 C    3.715000       1.504100       1.133200    
 H   -1.799700       1.543400      0.9927000    
 H   -3.593900      -1.820800      0.6360000    
 H   -2.451300      -1.017500       1.721600    
 H   -1.870700      -2.188600      -1.069100    
 H   -1.376200      -2.860800      0.4944000    
 H   -1.137200       2.774300      -1.102100    
 H   -1.893200       1.524100      -2.094100    
 H   -2.874000       2.582300      -1.067400    
 H   0.7096000       2.155000      2.9600000E-02
 H   -4.455400       1.610600      1.5400000E-02
 H   -4.031000      0.9601000       1.612100    
 H   -5.019800      2.2200000E-02  0.4749000    
 H   0.9933000      -2.785700     -0.2519000    
 H    3.988200     -0.8702000     -0.3478000    
 H    4.623000       2.089600      0.9650000    
 H    3.985500      0.5812000       1.655800    
 H    3.026700       2.094400       1.746400    


%chk=000040298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040298

0 1
O 3.365675 0.689877 0.376972
O 3.307863 -1.915248 -0.256289
N -2.909170 0.116237 0.072226
C -1.682907 0.956920 0.226584
C -0.380247 0.150960 0.111335
C -2.760193 -1.292984 0.500215
C -1.676536 -1.979189 -0.345354
C -0.362638 -1.232234 -0.198600
C -1.709708 2.092404 -0.834172
C 0.851149 0.830855 0.321641
C -4.100474 0.749198 0.669720
C 0.875444 -1.914273 -0.320965
C 2.070946 0.147476 0.198158
C 2.088362 -1.236735 -0.135423
C 3.463592 2.105327 0.726344
H -1.683593 1.437148 1.242144
H -3.735411 -1.792829 0.348326
H -2.503174 -1.386880 1.587209
H -2.008715 -1.984509 -1.402031
H -1.555407 -3.032562 -0.029226
H -0.856371 2.782734 -0.707158
H -1.660624 1.651650 -1.844264
H -2.636137 2.688835 -0.759310
H 0.840136 1.893504 0.586605
H -4.255673 1.758761 0.252366
H -4.034938 0.845907 1.784071
H -4.996290 0.148433 0.431122
H 0.903745 -2.983850 -0.553576
H 4.041021 -1.268421 -0.077116
H 4.540170 2.315968 0.807584
H 2.967798 2.310455 1.694983
H 3.016102 2.740464 -0.062619


