%chk=000086078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086078

0 1
 O   -1.530100     -0.4070000     -0.5459000    
 O   -2.772100      0.9579000      0.8367000    
 O    4.398000      -1.741600     -0.2574000    
 N   -1.659400       3.103800     -0.4992000    
 C   -2.370700      -1.514500     -0.2078000    
 C  -0.8929000       1.858400     -0.4285000    
 C   0.2810000       2.031700      0.5448000    
 C   -3.804100      -1.179900     -0.6180000    
 C   -1.861300      -2.730700     -0.9783000    
 C   -2.276900      -1.754700       1.298200    
 C   -1.847400      0.7793000      5.3900000E-02
 C    1.383200       1.021400      0.3298000    
 C    1.342100     -0.1825000       1.013300    
 C    2.413900       1.318800     -0.5468000    
 C    2.360000      -1.115300      0.8150000    
 C    3.431800      0.3860000     -0.7453000    
 C    3.404900     -0.8312000     -6.4400002E-02
 H  -0.5495000       1.619600      -1.442000    
 H  -6.4000003E-02   1.979400       1.586800    
 H   0.7211000       3.033200      0.4370000    
 H   -4.416700      -2.089100     -0.6440000    
 H   -4.321300     -0.4972000      6.1000001E-02
 H   -3.832300     -0.7279000      -1.616300    
 H  -0.8154000      -2.940000     -0.7260000    
 H   -1.887500      -2.545000      -2.058200    
 H   -2.454800      -3.625900     -0.7660000    
 H   -2.765700      -2.701300       1.559500    
 H   -1.233500      -1.828000       1.619600    
 H   -2.751900     -0.9948000       1.921800    
 H   -2.399800       3.010100      -1.194100    
 H   -1.057700       3.857800     -0.8288000    
 H   0.5446000     -0.4030000       1.714500    
 H    2.442100       2.262700      -1.083600    
 H    2.335300      -2.059900       1.351500    
 H    4.239900      0.6192000      -1.433500    
 H    5.036200      -1.380700     -0.8965000    


%chk=000086078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086078

0 1
O -2.097405 -0.474818 -0.948537
O -1.384031 0.002439 1.235801
O 5.231834 -0.975650 1.208791
N -1.599496 2.314123 -1.192245
C -3.053240 -1.606269 -0.552049
C -0.584735 1.348805 -0.708038
C 0.407225 2.056138 0.253738
C -4.158370 -1.035720 0.357745
C -3.609362 -2.046319 -1.916618
C -2.247766 -2.734185 0.122199
C -1.369420 0.229776 0.005115
C 1.687439 1.269094 0.501978
C 1.776164 0.310309 1.547412
C 2.827382 1.468019 -0.317042
C 2.957573 -0.425189 1.768401
C 4.019761 0.738469 -0.111167
C 4.079880 -0.211096 0.936273
H -0.002826 0.870644 -1.531593
H -0.124343 2.262050 1.199061
H 0.662503 3.033208 -0.202725
H -4.914016 -1.819458 0.549869
H -3.745571 -0.700126 1.321739
H -4.662839 -0.183497 -0.131201
H -2.792835 -2.382804 -2.578482
H -4.138411 -1.212735 -2.410167
H -4.319528 -2.881767 -1.781795
H -2.909150 -3.604065 0.289980
H -1.413976 -3.056111 -0.526489
H -1.840997 -2.407632 1.091642
H -2.281934 1.900323 -1.834683
H -1.200987 3.191834 -1.538847
H 0.901501 0.139457 2.183326
H 2.790113 2.211125 -1.123691
H 3.029188 -1.160800 2.575201
H 4.892452 0.913193 -0.754707
H 5.957324 -0.751664 0.574603


