%chk=000001786.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001786

0 1
 O  -0.9105000     -0.2727000       1.375000    
 O    6.977600      0.7731000      0.6134000    
 O   -6.933700      -1.126400     -0.2913000    
 N   -6.826500       1.084700     -0.8633000    
 N    8.203800      0.1223000      0.5510000    
 C    2.452600      0.8043000      9.1700003E-02
 C    3.836300      0.1558000      0.1599000    
 C    1.397100     -6.6399999E-02  0.7700000    
 C    4.887900       1.013800     -0.5493000    
 C   2.4700001E-02  0.5913000      0.7442000    
 C    6.260400      0.3966000     -0.4543000    
 C    6.923400     -0.4690000      -1.237400    
 C   -2.209500     -0.1988000      0.9437000    
 C   -4.845200     -4.8300002E-02  7.2499998E-02
 C    8.148100     -0.6138000     -0.5627000    
 C   -6.239100      3.2400001E-02 -0.3877000    
 C   -2.704500       1.004500      0.4545000    
 C   -3.018500      -1.327600       1.001900    
 C   -4.027000       1.080000      1.7400000E-02
 C   -4.340900      -1.252100      0.5647000    
 C   -8.149600     -0.8704000     -0.9762000    
 C   -8.204300      0.6350000      -1.089400    
 C    9.297600      -1.448200     -0.9481000    
 H    2.174300      0.9685000     -0.9564000    
 H    2.485600       1.787900      0.5757000    
 H    4.122400      9.3999999E-03   1.209300    
 H    3.801100     -0.8402000     -0.2995000    
 H    1.681800     -0.2680000       1.810300    
 H    1.341600      -1.046300      0.2791000    
 H    4.912900       2.018700     -0.1105000    
 H    4.622600       1.132800      -1.606800    
 H   5.4699998E-02   1.544400       1.284800    
 H  -0.2376000      0.7754000     -0.3059000    
 H    6.594400     -0.9347000      -2.154300    
 H   -2.110000       1.912200      0.4217000    
 H   -2.629200      -2.266700       1.384800    
 H   -8.996300      -1.273800     -0.4134000    
 H   -8.111300      -1.355900      -1.957100    
 H   -8.574700      0.9514000      -2.069200    
 H   -8.857100       1.066400     -0.3224000    
 H   -4.400300       2.029900     -0.3562000    
 H   -4.949200      -2.150400      0.6224000    
 H    10.19000     -0.8320000      -1.099700    
 H    9.517600      -2.187200     -0.1707000    
 H    9.102400      -1.989800      -1.879400    


%chk=000001786-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001786

0 1
O -0.952212 -0.809715 0.302578
O 6.785657 0.094193 1.175851
O -7.386615 -0.933700 0.268817
N -7.147273 1.217442 -0.607883
N 8.159568 -0.441096 1.227981
C 2.559108 0.572704 -0.248149
C 3.956181 -0.041235 -0.012389
C 1.421530 -0.397955 0.142983
C 5.098479 0.929669 -0.420895
C 0.037780 0.211365 -0.092047
C 6.467948 0.377566 -0.161314
C 7.553324 0.055227 -0.957920
C -2.310727 -0.501718 0.163881
C -5.106074 -0.089258 -0.042147
C 8.570767 -0.443401 -0.063300
C -6.552327 0.140832 -0.158081
C -2.808440 0.734356 -0.328699
C -3.210158 -1.526764 0.554414
C -4.199120 0.930050 -0.428575
C -4.595232 -1.321308 0.452362
C -8.792804 -0.457345 0.063951
C -8.623798 0.979872 -0.536827
C 9.952343 -0.935555 -0.394801
H 2.456291 0.857470 -1.316440
H 2.468461 1.511098 0.338006
H 4.074711 -0.307446 1.054862
H 4.053063 -0.982495 -0.588434
H 1.512938 -0.678305 1.209527
H 1.502886 -1.333109 -0.443249
H 4.974592 1.880645 0.135025
H 5.018605 1.172311 -1.496614
H -0.106380 1.125158 0.521543
H -0.106039 0.474017 -1.161168
H 7.627815 0.156366 -2.037994
H -2.130303 1.537194 -0.631302
H -2.799254 -2.467903 0.931654
H -9.291352 -0.469083 1.047250
H -9.286145 -1.168120 -0.619060
H -9.055860 1.065153 -1.550150
H -9.089770 1.756884 0.095158
H -4.603866 1.874242 -0.806783
H -5.294645 -2.106924 0.751840
H 10.547877 -0.142387 -0.881772
H 10.475148 -1.251442 0.522456
H 9.909222 -1.795454 -1.087345


