%chk=000057735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057735

0 1
 O    1.021200      0.2421000      0.8215000    
 O   -3.646100      -1.075200      0.5891000    
 O    1.174200       2.445500      0.1727000    
 N    4.548300     -0.2956000     -0.1038000    
 N   -5.114800       1.159500     -0.2865000    
 C    3.095700     -0.2440000     -0.2655000    
 C    4.911600      -1.235600      0.9559000    
 C    5.189600     -0.6720000      -1.363000    
 C    2.426500      0.1893000       1.029100    
 C    6.414200      -1.256900       1.179600    
 C    4.823000      0.2946000      -2.476400    
 C  -0.9478000       1.359100      0.2151000    
 C   0.5244000       1.434800      0.3913000    
 C   -3.005600      9.7400002E-02  0.3197000    
 C   -1.622400      0.1684000      0.4850000    
 C   -3.714300       1.217100     -0.1157000    
 C   -2.907900      -2.277900      0.3845000    
 C   -1.656600       2.478900     -0.2202000    
 C   -3.871400      -3.383600     -1.8600000E-02
 C   -3.039700       2.407800     -0.3858000    
 C   -4.602200      -3.053700      -1.307700    
 H    2.685100      -1.209000     -0.5923000    
 H    2.801800      0.4878000      -1.024700    
 H    4.498700     -0.9255000       1.919600    
 H    4.550500      -2.250700      0.7491000    
 H    6.279400     -0.6178000      -1.271500    
 H    4.932800      -1.695300      -1.664900    
 H    2.550100     -0.5454000       1.828300    
 H    2.817500       1.144400       1.401500    
 H    6.947600      -1.792400      0.3883000    
 H    6.826800     -0.2458000       1.266500    
 H    6.638800      -1.781600       2.115300    
 H    3.809200      0.1333000      -2.855400    
 H    4.926900       1.338700      -2.161500    
 H    5.497700      0.1442000      -3.327000    
 H   -1.075300     -0.6899000      0.8611000    
 H   -2.162900      -2.177800     -0.4157000    
 H   -2.405200      -2.552900       1.318600    
 H   -1.149800       3.415800     -0.4358000    
 H   -4.615000      -3.530500      0.7734000    
 H   -3.322100      -4.324000     -0.1374000    
 H   -3.580200       3.287600     -0.7256000    
 H   -5.228500      -2.162600      -1.199300    
 H   -3.896800      -2.880700      -2.126900    
 H   -5.254200      -3.885300      -1.593900    
 H   -5.609000      0.2977000     -9.6199997E-02
 H   -5.621600       1.974500     -0.6050000    


%chk=000057735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057735

0 1
O 1.045931 -0.022151 0.420993
O -3.984890 -0.927523 0.161086
O 1.371996 2.070418 -0.571390
N 4.750929 -0.596839 -0.215856
N -5.058782 1.160886 -1.084387
C 3.302039 -0.544653 -0.536796
C 5.346109 -1.954885 -0.308759
C 5.545527 0.460080 -0.893690
C 2.510325 -0.074893 0.700659
C 6.621660 -2.121936 0.541030
C 5.161046 1.885602 -0.451755
C -0.871270 1.122236 -0.449776
C 0.590454 1.139243 -0.232749
C -3.068583 0.071601 -0.228159
C -1.686473 0.039117 -0.008141
C -3.686458 1.182856 -0.897384
C -3.452040 -2.103272 0.874682
C -1.471969 2.222400 -1.112526
C -4.629175 -3.034220 1.177388
C -2.859498 2.252973 -1.334279
C -5.282010 -3.625659 -0.089921
H 2.930376 -1.541178 -0.847383
H 3.100854 0.151133 -1.375369
H 4.588752 -2.672660 0.058664
H 5.567006 -2.239448 -1.370312
H 6.610395 0.289231 -0.652996
H 5.449528 0.380854 -2.007939
H 2.606760 -0.793887 1.529515
H 2.856641 0.922289 1.018350
H 7.450176 -1.486689 0.179860
H 6.414103 -1.849569 1.590816
H 6.968927 -3.171575 0.507175
H 4.104973 2.120579 -0.676030
H 5.318840 2.005345 0.635212
H 5.790309 2.626506 -0.979624
H -1.206104 -0.799055 0.501146
H -2.699228 -2.608324 0.233745
H -2.956491 -1.764945 1.807699
H -0.831128 3.045496 -1.443793
H -5.379228 -2.476150 1.769725
H -4.253057 -3.850871 1.825146
H -3.317450 3.107256 -1.846426
H -5.645896 -2.822333 -0.753786
H -4.557276 -4.234314 -0.662575
H -6.138029 -4.273780 0.170413
H -5.587505 0.365243 -0.735335
H -5.538916 1.926267 -1.547264


