%chk=000003063.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003063

0 1
 O    1.720400      0.7153000       1.199600    
 O    1.757800       3.568600      0.1075000    
 O    3.623000      -1.419900      0.6012000    
 N   -3.294600     -0.4747000      0.5068000    
 C  -0.6237000      0.6666000      0.6062000    
 C   -1.686800       1.120300     -0.3988000    
 C   0.5813000       1.591300      0.8607000    
 C   -2.560300     -0.1267000     -0.7344000    
 C   -1.339800      0.2318000       1.904100    
 C   0.1430000     -0.4853000      6.1600000E-02
 C   -1.091700       1.830200      -1.619300    
 C    1.000100       2.450000     -0.3535000    
 C   -1.724700      -1.298400      -1.360200    
 C  -0.1838000       2.970700      -1.163100    
 C   -2.434500     -0.8201000       1.644100    
 C  -0.3375000      -1.454900     -0.7962000    
 C    1.451800     -0.4380000      0.4981000    
 C   -4.339100      -1.473300      0.3051000    
 C   0.5484000      -2.471800      -1.151700    
 C    2.337600      -1.439100      0.1727000    
 C    1.870100      -2.471000     -0.6544000    
 C    4.583200     -0.7716000     -0.2361000    
 H   -2.330400       1.868600      9.0200000E-02
 H   0.4070000       2.237800       1.729600    
 H   -3.309100      0.1801000      -1.477100    
 H   -1.800900       1.114800       2.366900    
 H  -0.6323000     -0.1698000       2.641000    
 H   -1.901900       2.234800      -2.237200    
 H  -0.5249000       1.141700      -2.255600    
 H    1.666600       1.881000      -1.013400    
 H   -1.614000      -1.087000      -2.432200    
 H   -2.259900      -2.250400      -1.289600    
 H   0.1836000       3.521600      -2.037600    
 H  -0.7526000       3.699700     -0.5717000    
 H   -1.973600      -1.805100       1.499200    
 H   -3.043900     -0.8984000       2.553200    
 H   -3.939600      -2.473500      0.1101000    
 H   -4.993500      -1.191900     -0.5272000    
 H   -4.977500      -1.536500       1.193600    
 H   0.2339000      -3.263600      -1.826400    
 H    2.034800       4.078400     -0.6729000    
 H    2.541500      -3.275400     -0.9467000    
 H    4.322900      0.2830000     -0.3720000    
 H    4.643900      -1.273300      -1.206900    
 H    5.559400     -0.8324000      0.2526000    


%chk=000003063-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003063

0 1
O 1.903589 0.740715 0.747143
O 1.789786 3.657211 -0.223766
O 3.795525 -1.595263 -0.178665
N -3.149878 -0.495482 0.683061
C -0.506477 0.689556 0.413742
C -1.704368 1.131774 -0.464274
C 0.701017 1.663658 0.544677
C -2.605229 -0.128263 -0.659097
C -1.063392 0.286661 1.814113
C 0.183226 -0.497539 -0.237458
C -1.243967 1.829046 -1.759259
C 0.969067 2.528190 -0.701722
C -1.878393 -1.296044 -1.424243
C -0.326237 3.019117 -1.387493
C -2.116168 -0.832449 1.694131
C -0.414255 -1.474539 -1.039373
C 1.556874 -0.456263 0.055111
C -4.250414 -1.472780 0.649724
C 0.440544 -2.509985 -1.508282
C 2.410805 -1.495525 -0.378922
C 1.809926 -2.524176 -1.161267
C 4.380553 -0.839062 0.945993
H -2.320129 1.851383 0.112662
H 0.668332 2.306035 1.439716
H -3.481228 0.167956 -1.271515
H -1.525673 1.180159 2.277828
H -0.238011 -0.052232 2.468241
H -2.122563 2.189700 -2.327878
H -0.695397 1.125811 -2.416903
H 1.545199 1.914849 -1.427714
H -1.940269 -1.093231 -2.513939
H -2.446321 -2.234775 -1.267322
H -0.055346 3.600815 -2.291212
H -0.859089 3.709052 -0.703386
H -1.605732 -1.799956 1.464546
H -2.625865 -0.963443 2.668149
H -3.937285 -2.514770 0.387549
H -5.011075 -1.151295 -0.085042
H -4.733049 -1.514833 1.643774
H 0.043903 -3.307621 -2.147514
H 2.113587 4.173357 -1.004586
H 2.467747 -3.325791 -1.512967
H 3.932290 -1.161221 1.904749
H 4.231737 0.246068 0.822187
H 5.451801 -1.090374 0.926601


