%chk=000046784.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046784

1 1
 O    2.558600     -0.8984000     -0.2656000    
 O   0.9919000      0.7162000      0.2433000    
 N    6.062000      0.3400000      7.8100003E-02
 C    4.945300     -0.6456000     -0.2348000    
 C    5.959100       1.536900     -0.8562000    
 C    7.408900     -0.3412000     -0.1164000    
 C    5.934700      0.8099000       1.520100    
 C    3.605900      2.7899999E-02 -9.8000001E-03
 C    7.071600       2.512600     -0.5405000    
 C    7.505100      -1.529900      0.8149000    
 C    1.284000     -0.4212000     -0.1001000    
 C   0.2985000      -1.523400     -0.4078000    
 C   -1.136500      -1.079400     -0.2878000    
 C   -1.788900      -1.201100      0.9303000    
 C   -1.783100     -0.5559000      -1.397900    
 C   -3.778600     -0.2626000     -6.7800000E-02
 C   -3.117400     -0.7905000       1.040800    
 C   -3.111600     -0.1452000      -1.287200    
 C   -5.156500      0.1642000      4.6599999E-02
 C   -6.189400     -0.7388000     -0.2055000    
 C   -5.452100       1.478200      0.4096000    
 C   -7.517700     -0.3277000     -9.4899997E-02
 C   -6.780400       1.889200      0.5204000    
 C   -7.813200      0.9861000      0.2681000    
 H    5.010500      -1.512900      0.4279000    
 H    5.059300     -0.9884000      -1.269900    
 H    5.010300       2.052400     -0.6943000    
 H    6.015600       1.176700      -1.889100    
 H    8.210900      0.3567000      0.1360000    
 H    7.496300     -0.6415000      -1.166300    
 H    5.590800     -1.8600000E-02   2.147600    
 H    6.908100       1.156800       1.881400    
 H    5.213000       1.631100       1.576500    
 H    3.448600      0.8614000     -0.6981000    
 H    3.488400      0.3803000       1.019100    
 H    6.909600       3.421500      -1.133400    
 H    7.105800       2.838400      0.5016000    
 H    8.058500       2.149200     -0.8387000    
 H    8.526500      -1.927000      0.7589000    
 H    7.333800      -1.296200       1.868000    
 H    6.859900      -2.361100      0.5185000    
 H   0.4866000      -1.885800      -1.425700    
 H   0.4849000      -2.358500      0.2782000    
 H   -1.282000      -1.609100       1.800200    
 H   -1.271700     -0.4585000      -2.351300    
 H   -3.622500     -0.8885000       1.999000    
 H   -3.612100      0.2649000      -2.161300    
 H   -5.976600      -1.766900     -0.4894000    
 H   -4.659100       2.195000      0.6099000    
 H   -8.322000      -1.030700     -0.2913000    
 H   -7.010900       2.912200      0.8031000    
 H   -8.847500       1.306100      0.3543000    


%chk=000046784-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046784

1 1
O 2.400012 -1.123725 -1.544887
O 1.713854 -0.030640 -3.480880
N 5.187248 0.568718 0.370593
C 4.132516 -0.450844 -0.112820
C 6.269300 0.738882 -0.737180
C 5.864082 0.007535 1.656373
C 4.526837 1.913036 0.673487
C 3.474101 -0.112820 -1.458094
C 7.458258 1.632602 -0.368872
C 4.908850 -0.334003 2.805869
C 1.522149 -0.945677 -2.657639
C 0.385408 -1.946720 -2.616154
C -0.765461 -1.406560 -1.758820
C -1.074616 -1.990840 -0.506871
C -1.542851 -0.309277 -2.207622
C -2.929528 -0.398707 -0.167441
C -2.142056 -1.498612 0.272527
C -2.603519 0.185523 -1.423787
C -4.062961 0.118752 0.651838
C -5.218613 0.670602 0.032289
C -4.020498 0.071246 2.072968
C -6.292772 1.158594 0.805829
C -5.094296 0.558316 2.847738
C -6.236275 1.105380 2.217882
H 3.348321 -0.501903 0.657953
H 4.634018 -1.432053 -0.169689
H 5.743527 1.153753 -1.612535
H 6.604590 -0.283589 -0.985785
H 6.586166 0.775299 1.975958
H 6.426704 -0.885753 1.331800
H 3.629728 1.746668 1.286596
H 5.235297 2.551883 1.220246
H 4.242041 2.403165 -0.268858
H 4.148477 -0.225518 -2.324746
H 3.029562 0.899013 -1.489392
H 8.094886 1.720359 -1.267037
H 7.157444 2.657307 -0.093267
H 8.091696 1.213059 0.428824
H 5.525944 -0.659079 3.662139
H 4.320979 0.533366 3.150130
H 4.224884 -1.165571 2.572319
H 0.053959 -2.107991 -3.656071
H 0.752072 -2.901962 -2.206675
H -0.497798 -2.852862 -0.150665
H -1.316242 0.161433 -3.171897
H -2.393683 -1.999384 1.213717
H -3.174634 1.048851 -1.781815
H -5.294689 0.685601 -1.060828
H -3.130970 -0.324229 2.577006
H -7.178022 1.568898 0.308033
H -5.039049 0.517771 3.941156
H -7.071175 1.482006 2.818354


