%chk=000031022.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031022

0 1
 O    6.033400      0.7098000     -0.7424000    
 O   0.3390000     -0.1069000     -0.8149000    
 O  -0.4102000       1.727800      0.3516000    
 O   -1.955200      0.3418000      -2.104100    
 N    3.901000      -1.004700      0.8436000    
 C    4.060300     -0.6882000     -0.5913000    
 C    3.377000      0.2532000       1.404400    
 C    4.616800      0.7431000     -0.6202000    
 C    4.210400       1.348500      0.7275000    
 C    2.636800     -0.7480000      -1.182100    
 C    1.889800      0.3158000       1.004200    
 C    1.682300      0.2548000     -0.5166000    
 C    5.140100      -1.438400       1.481100    
 C    6.594100       2.012900     -0.6611000    
 C  -0.6337000      0.7245000     -0.3153000    
 C   -2.028200      0.2023000     -0.6705000    
 C   -3.172100       1.053000     -0.1133000    
 C   -2.217000      -1.272100     -0.3061000    
 C   -3.375200       1.073100       1.247300    
 C   -2.922900      -2.078500      -1.168900    
 C   -3.953300       1.764500     -0.9943000    
 C   -1.674000      -1.734700      0.8703000    
 C   -4.417600       1.848400       1.755200    
 C   -3.095100      -3.422300     -0.8370000    
 C   -4.995600       2.539600     -0.4863000    
 C   -1.846200      -3.078500       1.202300    
 C   -5.227900       2.581600      0.8884000    
 C   -2.556800      -3.922300      0.3487000    
 H    4.702700      -1.411500      -1.106300    
 H    3.452700      0.2948000       2.497100    
 H    4.209300       1.313100      -1.463800    
 H    3.636100       2.271700      0.5948000    
 H    5.062800       1.575900       1.374100    
 H    2.666700     -0.5534000      -2.261600    
 H    2.234400      -1.765400      -1.079200    
 H    1.347600     -0.5074000       1.488300    
 H    1.485200       1.238000       1.431100    
 H    1.868100       1.245500     -0.9518000    
 H    5.943600     -0.6966000       1.447500    
 H    5.505500      -2.356900       1.009000    
 H    4.952600      -1.680900       2.533000    
 H    6.705400       2.341400      0.3750000    
 H    6.015800       2.742300      -1.237700    
 H    7.599500       1.966800      -1.090800    
 H   -1.361700     -0.3450000      -2.454900    
 H   -2.747700      0.5340000       1.946900    
 H   -3.362700      -1.706900      -2.088800    
 H   -3.804600       1.755500      -2.068400    
 H   -1.118500      -1.099600       1.552000    
 H   -4.595000       1.885800       2.826100    
 H   -3.651400      -4.078600      -1.499700    
 H   -5.627000       3.110800      -1.160800    
 H   -1.427400      -3.467800       2.125600    
 H   -6.038700       3.186300       1.284000    
 H   -2.691600      -4.968400      0.6077000    


%chk=000031022-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031022

0 1
O 5.888315 1.698814 -0.449774
O 0.389699 -0.219396 -0.692480
O -0.505045 0.950545 1.114975
O -1.845896 -0.646160 -1.885867
N 4.422978 -1.130747 -0.382630
C 4.158477 0.121528 -1.155007
C 3.818760 -0.790267 0.944275
C 4.495810 1.302800 -0.182357
C 4.290995 0.681863 1.240794
C 2.653956 0.121031 -1.537068
C 2.277340 -0.888420 0.793837
C 1.792021 0.124561 -0.263248
C 5.850073 -1.537830 -0.322744
C 6.281445 2.914747 0.262260
C -0.661664 0.257569 0.087637
C -2.019245 -0.247504 -0.486645
C -3.055408 0.898500 -0.462508
C -2.490441 -1.469156 0.352585
C -3.611421 1.347815 0.760016
C -3.271421 -2.453837 -0.302832
C -3.443474 1.520614 -1.673132
C -2.205866 -1.617415 1.732762
C -4.542031 2.409212 0.770434
C -3.759588 -3.569351 0.410263
C -4.380632 2.578699 -1.660405
C -2.692697 -2.738739 2.443364
C -4.931750 3.029022 -0.439664
C -3.471625 -3.717749 1.787392
H 4.787850 0.174936 -2.057797
H 4.160118 -1.503105 1.714029
H 3.838810 2.185612 -0.348834
H 3.566508 1.241280 1.858744
H 5.258532 0.669521 1.774079
H 2.403503 0.993459 -2.168325
H 2.451726 -0.798200 -2.113994
H 2.029818 -1.911147 0.458691
H 1.772896 -0.698221 1.758590
H 1.734708 1.136056 0.181547
H 6.528748 -0.775619 0.118921
H 6.201938 -1.748772 -1.347848
H 5.928130 -2.473013 0.260317
H 6.265002 2.778541 1.363894
H 5.617168 3.765868 -0.000078
H 7.310467 3.140023 -0.059718
H -0.927519 -1.013872 -1.977535
H -3.323487 0.872910 1.702333
H -3.478890 -2.333199 -1.370180
H -3.014292 1.158775 -2.610559
H -1.606109 -0.865954 2.258073
H -4.964704 2.749565 1.722468
H -4.363930 -4.322543 -0.108042
H -4.678697 3.049647 -2.604205
H -2.462202 -2.844592 3.509566
H -5.657397 3.850372 -0.430069
H -3.848660 -4.585481 2.340301


