%chk=000053110.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053110

0 1
 O   -3.077400      0.6547000      0.2599000    
 O   -1.380100      0.8952000      -1.319700    
 O    6.605800      -1.541900      0.9889000    
 N   -3.637600      -3.242300      -1.042300    
 N   0.4140000       2.764200     -0.4563000    
 N    5.862200     -0.5939000      -1.037800    
 C   -2.528000      -1.689700      0.4294000    
 C   -2.758200      -2.995200     -5.3100001E-02
 C   -3.245600     -0.6355000     -0.1517000    
 C   -1.125100      -3.822100       1.552800    
 C   -2.045200      -4.042100      0.5246000    
 C   -1.602700      -1.468300       1.463500    
 C   -4.309800      -2.196900      -1.576400    
 C   -4.152300     -0.8870000      -1.171300    
 C  -0.9034000      -2.533700       2.023000    
 C  -0.3812000      -4.971200       2.144600    
 C   -5.274500      -2.514700      -2.669700    
 C   -1.958900       2.740800      7.4100003E-02
 C   -2.082000       1.349100     -0.4285000    
 C  -0.7383000       3.385300      4.2700000E-02
 C   -3.096900       3.351800      0.5648000    
 C    2.363200       1.401200      2.8200001E-02
 C  -0.6511000       4.692700      0.5207000    
 C    4.690000      7.2899997E-02 -0.6809000    
 C   -3.009800       4.659200       1.042900    
 C    3.077700      0.7175000      0.9990000    
 C    2.789000       1.433800      -1.290200    
 C    1.126000       2.105700      0.4047000    
 C   -1.786700       5.329800       1.020800    
 C    4.248700      4.8999999E-02  0.6422000    
 C    3.960100      0.7653000      -1.647100    
 C    6.721700      -1.333800     -0.2145000    
 C    7.886600      -1.899700     -0.9874000    
 H   -2.208200      -5.056900      0.1638000    
 H   -1.413700     -0.4695000       1.849800    
 H   -4.715400     -8.0899999E-02  -1.630000    
 H  -0.1902000      -2.344800       2.820600    
 H  -6.7800000E-02  -4.756500       3.171900    
 H   -1.009500      -5.867600       2.182400    
 H   0.5095000      -5.189700       1.547100    
 H   -5.290300      -3.589100      -2.880800    
 H   -6.287000      -2.212300      -2.384000    
 H   -4.991700      -1.994200      -3.590300    
 H   -4.065000       2.860100      0.5800000    
 H   0.2967000       5.225000      0.5070000    
 H   -3.894600       5.156900       1.429000    
 H    2.742400      0.6918000       2.032200    
 H    2.239200       1.964600      -2.061800    
 H   0.8269000       2.045700       1.468600    
 H   -1.719100       6.348200       1.391900    
 H    4.759200     -0.4649000       1.444700    
 H    4.292400      0.7923000      -2.681800    
 H    6.116900     -0.5284000      -2.021200    
 H    7.520900      -2.584000      -1.758100    
 H    8.549400      -2.446800     -0.3113000    
 H    8.450300      -1.088300      -1.456300    


%chk=000053110-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053110

0 1
O -2.347708 -0.296173 0.777007
O -0.068758 -0.330936 0.170059
O 8.723542 1.222521 -1.551131
N -3.606609 -4.121107 -0.622350
N 1.200529 2.100406 0.251686
N 6.804131 0.930319 -2.874560
C -3.775602 -2.216299 0.977690
C -4.208861 -3.497558 0.466401
C -2.679217 -1.584896 0.295570
C -5.956675 -3.606836 2.210553
C -5.303265 -4.163238 1.104033
C -4.445465 -1.655444 2.109188
C -2.573854 -3.490991 -1.222169
C -2.076115 -2.209733 -0.794991
C -5.506186 -2.336049 2.708264
C -7.116595 -4.314099 2.887377
C -1.922440 -4.184019 -2.401159
C -1.048852 1.664685 1.198460
C -1.039341 0.285215 0.656943
C 0.114581 2.496933 1.044094
C -2.181938 2.173066 1.891147
C 3.560313 1.783585 -0.242616
C 0.096159 3.806551 1.611648
C 5.760624 1.224576 -1.956902
C -2.182899 3.467247 2.441309
C 4.895782 1.845806 0.237026
C 3.338786 1.425798 -1.602821
C 2.441787 2.079656 0.659693
C -1.032635 4.282824 2.302116
C 5.994829 1.575783 -0.599139
C 4.422239 1.150933 -2.446182
C 8.188886 0.935602 -2.660950
C 9.021670 0.564263 -3.885718
H -5.606187 -5.130304 0.689534
H -4.109502 -0.690565 2.500166
H -1.234212 -1.755829 -1.317693
H -6.011208 -1.898438 3.578330
H -8.031551 -3.691987 2.865864
H -7.348365 -5.273994 2.396129
H -6.892111 -4.522332 3.950797
H -2.432601 -5.139800 -2.595053
H -1.975193 -3.557918 -3.311794
H -0.852252 -4.382375 -2.203119
H -3.058671 1.529239 1.989764
H 0.971247 4.449167 1.466865
H -3.064710 3.839400 2.972137
H 5.078967 2.112442 1.285603
H 2.307133 1.362459 -1.962039
H 2.703331 2.261579 1.723295
H -1.019706 5.292345 2.728170
H 7.019912 1.627941 -0.229842
H 4.241029 0.870468 -3.492135
H 6.497090 0.681652 -3.817755
H 9.641849 -0.315653 -3.642694
H 9.711527 1.394880 -4.113942
H 8.424839 0.340132 -4.786866


