%chk=000037011.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037011

0 1
 O    1.216000      0.7951000       1.733300    
 O   -1.539800       1.630400       2.445700    
 N   -1.569400       1.493600      8.9199997E-02
 N    3.128300      -1.625900      0.1489000    
 C   0.5226000       1.871500       1.132400    
 C   0.6486000       1.790700     -0.3618000    
 C  -0.6079000       1.568600     -0.9277000    
 C  -0.9885000       1.660100       1.354800    
 C   0.9839000       3.202800       1.707600    
 C   -2.978100       1.273300     -0.1373000    
 C   0.7016000     -0.4647000       1.314400    
 C    1.774600       1.900400      -1.160100    
 C    1.506100      -1.571700       1.982200    
 C  -0.7816000       1.452000      -2.296100    
 C    2.979700      -1.504800       1.594100    
 C    1.618100       1.785500      -2.543700    
 C   -3.325500     -0.1873000     -0.1368000    
 C   0.3500000       1.563500      -3.106800    
 C    2.582700      -2.900700     -0.3207000    
 C    4.535200      -1.503300     -0.2369000    
 C   -3.285200     -0.9039000      -1.327200    
 C   -3.683400     -0.8088000       1.054000    
 C    2.670900      -3.011700      -1.833300    
 C    5.122700     -0.1861000      0.2406000    
 C   -3.607700      -2.261000      -1.326900    
 C   -4.005800      -2.165900       1.054100    
 C   -3.967900      -2.892000     -0.1363000    
 H   0.8344000       3.227300       2.793100    
 H   0.4385000       4.047000       1.271700    
 H    2.055000       3.357600       1.535300    
 H   -3.535800       1.775800      0.6638000    
 H   -3.296100       1.758900      -1.067200    
 H   0.7291000     -0.6025000      0.2302000    
 H  -0.3299000     -0.6030000       1.654900    
 H    2.753000       2.080300     -0.7305000    
 H    1.054800      -2.552600       1.806800    
 H    1.455600      -1.422300       3.069600    
 H   -1.751300       1.307400      -2.754000    
 H    3.364300     -0.5516000       1.969800    
 H    3.527700      -2.298000       2.119600    
 H    2.485400       1.871100      -3.192800    
 H   0.2500000       1.483600      -4.186000    
 H    3.085200      -3.758100      0.1444000    
 H    1.515300      -2.986500     -0.1002000    
 H    4.635200      -1.492800      -1.327100    
 H    5.139600      -2.335800      0.1447000    
 H   -3.029400     -0.4313000      -2.268400    
 H   -3.717300     -0.2547000       1.987800    
 H    2.058100      -3.853400      -2.176000    
 H    3.689700      -3.208400      -2.180600    
 H    2.292300      -2.110900      -2.328800    
 H    5.343000     -0.1901000       1.312700    
 H    4.470800      0.6619000      1.3000000E-02
 H    6.076600     -6.5000001E-03 -0.2687000    
 H   -3.583000      -2.825500      -2.254400    
 H   -4.286300      -2.657400       1.981100    
 H   -4.219900      -3.948300     -0.1362000    


%chk=000037011-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037011

0 1
O 1.406276 0.714385 1.641186
O -1.423443 1.430325 2.685524
N -1.751496 1.521190 0.344884
N 3.804315 -2.022408 0.521996
C 0.526547 1.752378 1.089730
C 0.425335 1.771985 -0.433643
C -0.935881 1.646649 -0.817184
C -0.973326 1.539945 1.516102
C 1.048417 3.066986 1.695929
C -3.218040 1.418991 0.361802
C 1.072080 -0.675418 1.246109
C 1.421215 1.907771 -1.409397
C 1.904244 -1.601295 2.136201
C -1.332363 1.662861 -2.166303
C 3.422071 -1.504443 1.864277
C 1.044758 1.925233 -2.778695
C -3.761351 0.107663 -0.202717
C -0.316230 1.806498 -3.145652
C 3.870464 -3.509119 0.488166
C 5.043857 -1.386551 -0.002219
C -4.790927 0.115962 -1.174250
C -3.268183 -1.135579 0.266978
C 3.658314 -4.090493 -0.923128
C 4.805596 0.038101 -0.537949
C -5.322721 -1.096830 -1.670398
C -3.794288 -2.347523 -0.228844
C -4.824038 -2.332459 -1.199844
H 0.972363 3.010010 2.794621
H 0.465106 3.931527 1.335501
H 2.105325 3.206031 1.410890
H -3.500922 1.521044 1.427500
H -3.649057 2.277242 -0.188724
H 1.318528 -0.832225 0.177827
H -0.010681 -0.858629 1.410553
H 2.473542 1.992135 -1.118136
H 1.555414 -2.641218 1.979607
H 1.707180 -1.346414 3.195262
H -2.380023 1.550624 -2.460185
H 3.709102 -0.440732 1.927331
H 3.976434 -2.037647 2.677185
H 1.810612 2.028247 -3.554644
H -0.594542 1.818844 -4.205477
H 4.838281 -3.882615 0.911673
H 3.074428 -3.898242 1.149827
H 5.422826 -2.013664 -0.829911
H 5.850117 -1.369109 0.775320
H -5.182661 1.073358 -1.542029
H -2.475725 -1.149615 1.024879
H 3.681822 -5.196194 -0.894429
H 4.440964 -3.758367 -1.629176
H 2.682132 -3.765471 -1.323438
H 4.406290 0.706880 0.246106
H 4.074255 0.009191 -1.364785
H 5.751439 0.474773 -0.910558
H -6.119950 -1.077087 -2.421946
H -3.406496 -3.302897 0.142227
H -5.232504 -3.273683 -1.584231


