%chk=000125555.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125555

0 1
 O   0.8675000      0.5160000      2.8999999E-02
 O  -0.2301000       1.178300       1.934600    
 N   -1.342000      0.8926000     -8.1200004E-02
 C    3.242000      0.5385000     -0.4354000    
 C    2.108800       1.067100      0.4683000    
 C    4.576400       1.241500     -0.1262000    
 C    2.008100       2.593600      0.4064000    
 C    4.446000       2.760900     -0.1967000    
 C    3.337400       3.268500      0.7188000    
 C   -2.672100       1.243100      0.3630000    
 C   -3.934400     -0.8928000     -0.1930000    
 C   -3.397700      1.1500000E-02  0.9267000    
 C    3.395800     -0.9731000     -0.3478000    
 C   -4.891800     -0.1045000      -1.102100    
 C   -3.403400       1.897200     -0.7864000    
 C   -4.412600       1.280500      -1.426400    
 C   -4.610600      -2.107500      0.3687000    
 C  -0.2363000      0.8904000      0.7423000    
 C    3.757700      -1.697000      -1.479700    
 C    3.174000      -1.620900      0.8636000    
 C   -2.974700       3.288900      -1.158400    
 C   -4.009500      -3.430500     -3.1999999E-03
 C    3.898800      -3.082400      -1.399600    
 C    3.315400      -3.006300      0.9437000    
 C   -5.690600      -2.016300       1.158700    
 C    3.677800      -3.737000     -0.1880000    
 H    2.958800      0.7719000      -1.472700    
 H    2.277200      0.7980000       1.516900    
 H    5.349200      0.9136000     -0.8325000    
 H    4.928500      0.9560000      0.8739000    
 H    1.257400       2.979400       1.104300    
 H    1.664900       2.898700     -0.5914000    
 H    5.397700       3.225000      8.5199997E-02
 H    4.236200       3.062700      -1.230200    
 H    3.235800       4.353700      0.6056000    
 H    3.608500       3.079400       1.764700    
 H   -2.573900       1.966600       1.182500    
 H   -3.078900      -1.213100     -0.8046000    
 H   -2.728300     -0.5565000       1.586200    
 H   -4.226900      0.3657000       1.554500    
 H   -5.023500     -0.6578000      -2.040900    
 H   -5.890300     -2.4999999E-03 -0.6605000    
 H   -1.209400      0.6001000      -1.045400    
 H   -4.935100       1.793700      -2.229600    
 H    3.935000      -1.198200      -2.428500    
 H    2.921900      -1.096200       1.777500    
 H   -3.075100       3.959000     -0.2984000    
 H   -1.929700       3.295300      -1.484100    
 H   -3.578100       3.702600      -1.973300    
 H   -4.025000      -3.563200      -1.089900    
 H   -2.971500      -3.486500      0.3408000    
 H   -4.553200      -4.270300      0.4423000    
 H    4.182000      -3.651300      -2.280300    
 H    3.150500      -3.516100       1.888500    
 H   -6.168500      -2.905600       1.557100    
 H   -6.128400      -1.063100       1.433800    
 H    3.789600      -4.815400     -0.1251000    


%chk=000125555-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125555

0 1
O 0.854431 1.664406 -0.428747
O -0.115192 1.632557 1.733762
N -1.392515 1.400988 -0.222076
C 3.068017 0.593175 -0.351250
C 2.218861 1.777277 0.163724
C 4.525791 0.750640 0.187485
C 2.809878 3.136585 -0.247937
C 5.144427 2.112558 -0.203494
C 4.258524 3.285545 0.277131
C -2.695709 1.198780 0.457733
C -3.478025 -1.019885 -0.573361
C -2.989909 -0.301343 0.717677
C 2.509921 -0.785373 0.001262
C -4.810018 -0.371037 -1.011342
C -3.800843 1.881349 -0.349819
C -4.746374 1.145750 -0.998954
C -3.519562 -2.540401 -0.397052
C -0.222495 1.565560 0.478735
C 2.573847 -1.831819 -0.954301
C 1.990136 -1.082034 1.288835
C -3.784415 3.397304 -0.364451
C -2.165104 -3.230836 -0.433371
C 2.141158 -3.139289 -0.638473
C 1.554293 -2.387388 1.608881
C -4.665607 -3.253304 -0.223989
C 1.630466 -3.423425 0.649066
H 3.108822 0.678832 -1.457469
H 2.108209 1.737728 1.264209
H 5.141285 -0.084420 -0.196983
H 4.512036 0.649169 1.292205
H 2.166392 3.946644 0.142596
H 2.800516 3.212135 -1.353581
H 6.161974 2.200297 0.223546
H 5.252691 2.163616 -1.306642
H 4.679268 4.252743 -0.057170
H 4.248916 3.307295 1.386261
H -2.591947 1.703099 1.438259
H -2.723106 -0.808231 -1.364594
H -2.079111 -0.772980 1.127449
H -3.781084 -0.385229 1.488904
H -5.097494 -0.730675 -2.018888
H -5.626402 -0.694254 -0.330929
H -1.336552 1.324299 -1.238647
H -5.543378 1.674598 -1.542321
H 2.966246 -1.616874 -1.956685
H 1.902971 -0.292909 2.044128
H -3.938290 3.804871 0.654523
H -2.806863 3.783405 -0.711888
H -4.571703 3.808629 -1.019768
H -1.689998 -3.109194 -1.427290
H -1.458305 -2.797672 0.299613
H -2.252714 -4.311252 -0.226360
H 2.200682 -3.932227 -1.393038
H 1.153631 -2.594401 2.607924
H -4.639455 -4.341255 -0.090497
H -5.657857 -2.790228 -0.216033
H 1.293941 -4.436007 0.899595


