%chk=000026734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026734

0 1
 O   0.1708000      -2.042800      0.2737000    
 O   -1.757700     -0.8439000       2.086400    
 N    3.178500      6.6399999E-02  9.5899999E-02
 C    3.142700      0.4132000      -1.327100    
 C    2.714800       1.197200      0.9034000    
 C    2.373600      -1.117500      0.3575000    
 C   0.9139000     -0.8594000      2.0199999E-02
 C    1.709200      0.6978000      -1.766300    
 C    3.750000     -0.7240000      -2.142400    
 C    3.565300       2.432600      0.6214000    
 C    2.767400      0.8215000       2.380900    
 C   -1.210300      -1.863700     -2.4400000E-02
 C   -1.938100      -3.177000      0.2670000    
 C   -1.734000     -0.7366000      0.8610000    
 C   -1.462600      -4.308100     -0.6354000    
 C   -2.237500      0.5241000      0.2390000    
 C   -2.803300      0.4598000      -1.013500    
 C   -2.116200       1.699900      0.9429000    
 C   -3.273800       1.637200      -1.594600    
 C   -2.586900       2.877300      0.3617000    
 C   -3.165700       2.846000     -0.9071000    
 H    3.783600       1.275700      -1.536700    
 H    1.688800       1.523800      0.7205000    
 H    2.735500      -1.996600     -0.1886000    
 H    2.466900      -1.463400       1.393700    
 H   0.6891000     -0.8374000      -1.022300    
 H   0.4925000     -4.4300001E-02  0.6012000    
 H    1.837400       1.532800      -2.481000    
 H    1.290000     -3.6600001E-02  -2.467800    
 H   0.9934000       1.184200      -1.101300    
 H    4.719000      -1.036200      -1.736500    
 H    3.929100     -0.3835000      -3.169600    
 H    3.103800      -1.604100      -2.221300    
 H    3.389800       3.200900       1.384200    
 H    4.637000       2.203700      0.6425000    
 H    3.321600       2.904700     -0.3358000    
 H    1.967700      0.1342000       2.674600    
 H    2.637500       1.712600       3.006800    
 H    3.732300      0.3794000       2.655100    
 H   -1.302200      -1.640400      -1.090000    
 H   -3.018100      -3.039700      0.1377000    
 H   -1.772400      -3.477700       1.308900    
 H   -1.617800      -4.059000      -1.690000    
 H  -0.3996000      -4.519900     -0.4841000    
 H   -2.021800      -5.223500     -0.4178000    
 H   -2.941100     -0.4662000      -1.560000    
 H   -1.661500       1.739400       1.927900    
 H   -3.733000       1.612000      -2.578600    
 H   -2.501300       3.818800      0.8963000    
 H   -3.533600       3.762500      -1.358900    


%chk=000026734-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026734

0 1
O 0.117830 -1.635443 0.028282
O -1.018564 0.332708 1.611105
N 3.539221 -0.049665 0.006387
C 4.229872 0.150808 -1.304600
C 3.289670 1.195702 0.802799
C 2.461508 -1.061705 0.053104
C 1.072133 -0.640409 -0.495557
C 3.450700 1.007225 -2.350158
C 4.677358 -1.188177 -1.931725
C 4.587817 2.022480 0.970767
C 2.717023 0.861934 2.201904
C -1.282608 -1.306744 -0.189715
C -2.091691 -2.566853 0.214954
C -1.731058 -0.082827 0.652156
C -1.786591 -3.770087 -0.699788
C -3.038095 0.588550 0.323348
C -3.815828 0.264606 -0.823175
C -3.502186 1.605288 1.203424
C -5.027025 0.942579 -1.079002
C -4.711877 2.279361 0.948953
C -5.478796 1.949891 -0.195124
H 5.159397 0.701012 -1.065791
H 2.541953 1.858985 0.294410
H 2.799936 -1.969444 -0.472889
H 2.295433 -1.360676 1.101661
H 1.033264 -0.645179 -1.606430
H 0.809096 0.371180 -0.129176
H 4.096794 1.230123 -3.220575
H 2.557289 0.473193 -2.722625
H 3.122002 1.971053 -1.919430
H 5.187264 -1.815358 -1.178968
H 5.383486 -0.991957 -2.759375
H 3.830389 -1.761344 -2.352769
H 4.401245 2.863965 1.662452
H 5.388526 1.389818 1.396500
H 4.949749 2.456025 0.021710
H 1.701331 0.432019 2.161945
H 2.653161 1.789657 2.799056
H 3.385103 0.155507 2.729169
H -1.452997 -1.085802 -1.269631
H -3.172767 -2.334661 0.199615
H -1.822078 -2.805575 1.260838
H -2.094806 -3.569515 -1.743965
H -0.705171 -3.985291 -0.695797
H -2.324999 -4.671362 -0.354954
H -3.483517 -0.506967 -1.525671
H -2.889684 1.844594 2.079265
H -5.616794 0.689247 -1.966670
H -5.059326 3.059026 1.635502
H -6.419391 2.474706 -0.396449


