%chk=000080023.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080023

0 1
 O   -1.350600      -1.136000      1.6899999E-02
 O   -6.410200      0.5811000      0.1066000    
 O   0.6181000       3.144500     -0.8525000    
 N  -0.4135000       1.298800      0.1738000    
 C   -2.810500      0.7270000      0.1301000    
 C   -4.136000       1.166100      0.1536000    
 C   -3.612100      -1.684500     -2.6699999E-02
 C   -4.937500      -1.245500     -3.5000001E-03
 C   -1.765700       1.656800      0.1926000    
 C   -2.500100     -0.7142000      3.9400000E-02
 C   -5.247900      0.1959000      8.6999997E-02
 C   -4.416600       2.535000      0.2400000    
 C   -2.049800       3.020200      0.2783000    
 C   -3.331300      -3.053300     -0.1133000    
 C   -5.982200      -2.175400     -6.6699997E-02
 C   -3.372400       3.458300      0.3018000    
 C   -4.375400      -3.976700     -0.1765000    
 C   -5.698000      -3.538600     -0.1530000    
 C   0.6633000       2.036300     -0.3295000    
 C    1.989000       1.371200     -0.2305000    
 C    4.446900      0.1343000     -4.8700001E-02
 C    2.968700       1.700800      -1.143500    
 C    2.195300      0.4447000      0.7699000    
 C    4.211900       1.075000      -1.051600    
 C    3.438500     -0.1809000      0.8619000    
 C    5.736900     -0.5143000      4.6700001E-02
 C    5.970800      -1.706400     -0.6386000    
 C    6.745500      5.1899999E-02  0.8260000    
 C    7.213700      -2.332300     -0.5445000    
 C    7.988600     -0.5739000      0.9200000    
 C    8.222800      -1.766000      0.2345000    
 H   -5.439200       2.901900      0.2623000    
 H   -1.278100       3.776900      0.3757000    
 H   -2.309600      -3.422800     -0.1333000    
 H   -7.021800      -1.859400     -5.0299998E-02
 H  -0.2396000      0.3172000      0.3654000    
 H   -3.591900       4.519400      0.3793000    
 H   -4.156900      -5.038500     -0.2438000    
 H   -6.509000      -4.259400     -0.2022000    
 H    2.801100       2.426000      -1.934200    
 H    1.449100      0.1975000       1.518200    
 H    4.986600       1.331100      -1.770600    
 H    3.607800     -0.9065000       1.654100    
 H    5.195200      -2.161600      -1.250100    
 H    6.579700      0.9805000       1.367100    
 H    7.396200      -3.260600      -1.077900    
 H    8.774200     -0.1333000       1.526700    
 H    9.190600      -2.253300      0.3077000    


%chk=000080023-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080023

0 1
O -1.323888 -1.099258 0.035684
O -6.580825 0.583145 0.034119
O 0.651919 3.418573 -0.190509
N -0.496367 1.366159 -0.082559
C -2.868508 0.772758 -0.027031
C -4.241748 1.190062 -0.026000
C -3.652560 -1.659877 0.091642
C -5.014962 -1.246548 0.093255
C -1.833871 1.783719 -0.085161
C -2.542702 -0.667961 0.032702
C -5.366571 0.201763 0.033835
C -4.578063 2.557381 -0.080813
C -2.201756 3.162755 -0.140802
C -3.339905 -3.041465 0.147635
C -6.046446 -2.215121 0.151366
C -3.556778 3.532104 -0.137747
C -4.370953 -3.999858 0.204955
C -5.727889 -3.586573 0.207071
C 0.667637 2.148899 -0.123598
C 1.960847 1.381395 -0.082093
C 4.526143 0.098167 -0.003716
C 3.158588 2.139957 -0.158537
C 2.060456 -0.032466 0.033359
C 4.414697 1.512614 -0.121670
C 3.321826 -0.655885 0.071941
C 5.856830 -0.570431 0.042760
C 6.043218 -1.870084 -0.505978
C 6.977048 0.073556 0.638798
C 7.303117 -2.503091 -0.460173
C 8.237204 -0.558795 0.686009
C 8.407289 -1.851016 0.136664
H -5.637256 2.830487 -0.077629
H -1.405894 3.908095 -0.184956
H -2.286126 -3.335137 0.144923
H -7.083536 -1.865289 0.151452
H -0.415817 0.327752 -0.041074
H -3.818606 4.594535 -0.180586
H -4.124374 -5.065955 0.248263
H -6.527297 -4.333668 0.252036
H 3.069943 3.226855 -0.254612
H 1.173194 -0.670801 0.108793
H 5.321004 2.120510 -0.215206
H 3.372947 -1.742979 0.196158
H 5.204956 -2.374154 -1.000026
H 6.853024 1.061199 1.097030
H 7.426199 -3.500116 -0.897659
H 9.083526 -0.048336 1.158959
H 9.385685 -2.342574 0.172824


