%chk=000164482.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164482

0 1
 O   -1.015700      -1.521400       1.077700    
 O   0.7518000       2.101800       1.996900    
 O    5.288600     -0.7863000      -1.788500    
 O    5.250700      -1.200100      0.3714000    
 N    2.728100     -4.6300001E-02  0.5855000    
 N    1.453800      0.8731000     -0.9839000    
 N    4.703900     -0.7333000     -0.6688000    
 C   -3.551200      -1.649200     -0.2025000    
 C   -2.741000     -0.3476000     -8.4799998E-02
 C   -1.523600     -0.3712000      0.5494000    
 C  -0.8028000      0.8191000      0.6468000    
 C   -4.874000      -1.371900     -0.9490000    
 C   -3.868300      -2.193100       1.207500    
 C   -2.820300      -2.773200     -0.9712000    
 C   0.5268000      0.8538000       1.325500    
 C   -3.284000      0.7916000     -0.6280000    
 C   -2.563100       1.981800     -0.5303000    
 C   -1.322700       1.995600      0.1071000    
 C    1.568800      0.5677000      0.2693000    
 C   -3.118300       3.239400      -1.108700    
 C    3.435500     -0.1498000     -0.5790000    
 C    3.148600     -0.5045000       1.890800    
 C    2.628500      0.4240000      -1.533200    
 H   -5.520600     -0.6634000     -0.4171000    
 H   -4.717100      -1.038100      -1.981800    
 H   -5.461000      -2.297300      -1.024700    
 H   -4.320500      -1.417000       1.836700    
 H   -4.586500      -3.020300       1.148400    
 H   -2.996900      -2.583900       1.739300    
 H   -3.470600      -3.645200      -1.108900    
 H   -2.514800      -2.426300      -1.965400    
 H   -1.920100      -3.128900     -0.4623000    
 H   0.5223000      0.1089000       2.124700    
 H   -4.235200      0.8569000      -1.138600    
 H  -0.7645000       2.926800      0.1668000    
 H   -2.641300       4.126100     -0.6774000    
 H   -2.961200       3.256100      -2.191800    
 H   -4.191200       3.321100     -0.9041000    
 H  -4.5899998E-02  -1.493100       1.081800    
 H    1.623900       2.051500       2.424000    
 H    4.099700     -2.8200001E-02   2.143700    
 H    2.438900     -0.2223000       2.666900    
 H    3.230200      -1.594300       1.870900    
 H    2.827800      0.5403000      -2.589200    


%chk=000164482-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164482

0 1
O -1.096648 -1.953947 0.752886
O 0.924950 1.289652 2.675023
O 5.112999 -1.565390 -1.597706
O 5.297818 0.573899 -0.793110
N 2.787302 0.220652 0.593173
N 1.509521 -1.652776 0.544923
N 4.677171 -0.562493 -0.903759
C -3.658261 -1.566992 -0.637613
C -2.756537 -0.400505 -0.165609
C -1.522577 -0.641673 0.521622
C -0.739833 0.450817 0.998811
C -4.958961 -1.063393 -1.317657
C -4.066993 -2.439571 0.588911
C -2.888131 -2.443680 -1.672493
C 0.482392 0.146178 1.880038
C -3.103883 0.950866 -0.401109
C -2.303456 2.052474 0.002020
C -1.115025 1.783899 0.712384
C 1.630295 -0.379102 1.041427
C -2.730403 3.476044 -0.315441
C 3.426109 -0.742310 -0.226815
C 3.258082 1.597121 0.889629
C 2.614379 -1.885148 -0.243477
H -5.572925 -0.447198 -0.634232
H -4.751101 -0.475190 -2.231255
H -5.567834 -1.935937 -1.616853
H -4.645657 -1.842020 1.318281
H -4.702250 -3.281464 0.254138
H -3.177592 -2.848139 1.093678
H -3.533750 -3.276521 -2.010850
H -2.604996 -1.846466 -2.559504
H -1.976029 -2.867841 -1.224400
H 0.207360 -0.699121 2.548626
H -4.033900 1.168250 -0.935935
H -0.478149 2.609781 1.051905
H -1.984275 4.210140 0.035265
H -2.860338 3.625277 -1.403970
H -3.696868 3.726130 0.162256
H -0.061157 -2.040239 0.690266
H 0.142132 1.641564 3.168945
H 3.301951 2.181672 -0.042077
H 2.551815 2.040365 1.602649
H 4.269249 1.558805 1.320344
H 2.789503 -2.817070 -0.771437


