%chk=000046198.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046198

0 1
 O   0.9996000      -3.524500     -0.5400000    
 O   -1.006400      -1.678300      0.1124000    
 O   -5.890900       1.708200     -0.5022000    
 N    3.138600     -0.5677000      0.1133000    
 N    4.755900       1.753200     -0.4835000    
 C    2.980000      0.1683000      -1.146900    
 C    4.518000     -0.4538000      0.6027000    
 C    3.376800       1.638400     -0.9732000    
 C    4.916000       1.015900      0.7758000    
 C    2.760900      -1.969700     -5.3199999E-02
 C    1.287600      -2.127000     -0.4369000    
 C    5.132200       3.155500     -0.3155000    
 C   0.3290000      -1.506500      0.5770000    
 C   -1.916300     -0.7274000      0.4900000    
 C   -2.991900     -0.4337000     -0.3411000    
 C   -1.756400     -6.3600004E-02   1.701800    
 C   -3.918500      0.5353000      4.3699998E-02
 C   -2.683100      0.9053000       2.086800    
 C   -3.764100       1.204800       1.257800    
 C   -5.046000      0.8476000     -0.8202000    
 C   -5.221100      0.1197000      -2.148600    
 H    1.937700      0.1740000      -1.480200    
 H    3.580600     -0.2858000      -1.946600    
 H    5.219200     -0.9478000     -8.3499998E-02
 H    4.608900     -0.9509000       1.576100    
 H    3.287200       2.137400      -1.945900    
 H    2.675000       2.131800     -0.2869000    
 H    4.313300       1.469500       1.574500    
 H    5.964100       1.053700       1.096700    
 H    3.389300      -2.471700     -0.8017000    
 H    2.931600      -2.512500      0.8864000    
 H    1.082400      -1.729900      -1.435500    
 H    6.176200       3.237200      6.5000001E-03
 H    4.503100       3.668700      0.4207000    
 H    5.054600       3.691000      -1.268300    
 H   0.5737000     -0.4436000      0.6876000    
 H   0.4234000      -2.012100       1.545400    
 H    1.141900      -3.924800      0.3347000    
 H   -3.078000     -0.9757000      -1.277900    
 H  -0.9468000     -0.2871000       2.389800    
 H   -2.566800       1.421900       3.035100    
 H   -4.473300       1.962300       1.580400    
 H   -5.351800     -0.9521000      -1.978200    
 H   -4.367700      0.3158000      -2.802800    
 H   -6.121200      0.4949000      -2.646100    


%chk=000046198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046198

0 1
O 0.885346 -3.354191 -0.825490
O -0.951710 -1.031723 -0.394388
O -6.625544 1.048192 0.022310
N 3.268053 -0.495376 -0.040890
N 5.199117 1.655745 -0.299058
C 3.582071 0.106961 -1.364753
C 4.452755 -0.405030 0.853742
C 4.023617 1.569421 -1.195912
C 4.888903 1.059046 1.020566
C 2.743801 -1.877448 -0.145018
C 1.277372 -1.947377 -0.645989
C 5.727207 3.028867 -0.190340
C 0.343189 -1.172356 0.285724
C -1.973219 -0.347197 0.277883
C -3.212833 -0.297480 -0.403826
C -1.831839 0.268939 1.546727
C -4.317816 0.369181 0.174787
C -2.943137 0.935178 2.119219
C -4.177188 0.990779 1.448500
C -5.653734 0.441135 -0.516878
C -5.818913 -0.230202 -1.876760
H 2.682446 0.074205 -2.005230
H 4.395357 -0.461496 -1.880674
H 5.315763 -0.990358 0.449814
H 4.183809 -0.823800 1.841789
H 4.299190 1.984053 -2.183575
H 3.158952 2.163446 -0.801202
H 4.073738 1.621135 1.546347
H 5.795847 1.101690 1.652587
H 3.354125 -2.523245 -0.821622
H 2.792162 -2.334816 0.865379
H 1.187472 -1.530022 -1.663051
H 6.639576 3.028843 0.432772
H 4.999119 3.749945 0.261276
H 5.999901 3.402591 -1.193618
H 0.791828 -0.179801 0.490251
H 0.207486 -1.713609 1.248921
H 0.809960 -3.785172 0.064840
H -3.279797 -0.790334 -1.378099
H -0.880306 0.241847 2.085794
H -2.831161 1.412378 3.099066
H -5.045526 1.500632 1.876367
H -5.609706 -1.314243 -1.812072
H -5.118101 0.196478 -2.618375
H -6.851131 -0.081212 -2.227540


