%chk=000003158.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003158

0 1
 O   -2.661600     -0.8316000       1.201900    
 N    4.481300       1.090800      0.5258000    
 C  -0.2852000      0.3647000     -0.3319000    
 C  -2.5300000E-02  -1.092900     -0.3637000    
 C   -1.651300      0.9537000     -0.2188000    
 C  -0.5727000      -1.895700      0.6501000    
 C    2.204100      0.6600000     -0.2722000    
 C   0.7974000       1.166300     -0.2886000    
 C    3.117800       1.608900      0.5023000    
 C   -1.405900      -1.256400       1.725200    
 C   -2.705500      0.3428000      0.4919000    
 C   0.7324000      -1.686700      -1.384000    
 C  -0.3519000      -3.278800      0.6349000    
 C   -1.940200       2.140200     -0.9277000    
 C   -3.987700      0.9190000      0.4826000    
 C   0.9492000      -3.064800      -1.388000    
 C   0.4087000      -3.859300     -0.3796000    
 C   -3.214300       2.711900     -0.9150000    
 C   -4.239400       2.100700     -0.2082000    
 C    5.354900       1.975400       1.298500    
 C    4.995300      0.9317000     -0.8355000    
 H    2.517600      0.6033000      -1.319600    
 H    2.302900     -0.3275000      0.1899000    
 H   0.6803000       2.246300     -0.2330000    
 H    3.085500       2.614200      5.9700001E-02
 H    2.743600       1.698100       1.530800    
 H   -1.623300      -1.987700       2.512500    
 H  -0.8772000     -0.4341000       2.225400    
 H    1.136200      -1.096100      -2.202500    
 H  -0.7729000      -3.913200       1.410600    
 H   -1.177600       2.634300      -1.527100    
 H   -4.803000      0.4429000       1.023500    
 H    1.532400      -3.519600      -2.183400    
 H   0.5753000      -4.932600     -0.3861000    
 H   -3.404100       3.626300      -1.469300    
 H   -5.234200       2.535400     -0.2014000    
 H    5.424800       2.976400      0.8574000    
 H    6.365100       1.556400       1.366900    
 H    4.989000       2.075800       2.326500    
 H    6.067500      0.7008000     -0.8127000    
 H    4.865300       1.835000      -1.442500    
 H    4.538500      7.9400003E-02  -1.348100    


%chk=000003158-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003158

0 1
O -2.591106 -0.641180 1.559010
N 4.619820 1.205482 0.361828
C -0.231659 0.310668 -0.299894
C -0.099048 -1.182862 -0.307956
C -1.622120 0.880867 -0.228226
C -0.619537 -1.937693 0.781252
C 2.307021 0.759126 -0.557818
C 0.849793 1.143980 -0.433204
C 3.188080 1.579460 0.419540
C -1.256876 -1.184529 1.922082
C -2.679395 0.391929 0.605184
C 0.502097 -1.869464 -1.392423
C -0.531065 -3.347875 0.775003
C -1.947702 1.963483 -1.100423
C -3.976208 0.963221 0.544465
C 0.591706 -3.279617 -1.393288
C 0.075459 -4.023928 -0.307868
C -3.228504 2.543592 -1.153180
C -4.255825 2.031964 -0.324016
C 5.366662 1.688448 1.541952
C 5.280156 1.599851 -0.898696
H 2.646611 0.948796 -1.598134
H 2.464216 -0.315320 -0.361713
H 0.656581 2.227977 -0.403877
H 3.036159 2.674971 0.220663
H 2.832508 1.389349 1.449980
H -1.474406 -1.842132 2.778400
H -0.617291 -0.343305 2.256412
H 0.882485 -1.294378 -2.243628
H -0.937566 -3.916848 1.619861
H -1.167940 2.321321 -1.781670
H -4.742082 0.549005 1.207645
H 1.057682 -3.795462 -2.240227
H 0.141742 -5.117361 -0.307263
H -3.430261 3.365950 -1.847470
H -5.264177 2.458781 -0.356385
H 5.406273 2.805583 1.619687
H 6.405761 1.314858 1.501659
H 4.899607 1.298282 2.463718
H 6.330795 1.259190 -0.884543
H 5.277352 2.708191 -1.067829
H 4.786004 1.121325 -1.761110


