%chk=000002585.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002585

0 1
 O   -2.419600       1.708900      0.1113000    
 O   -2.363900       4.474800     -0.1600000    
 O    2.777700      0.6830000     -0.8811000    
 O    1.498500     -0.5016000       1.289300    
 N   -2.543200      -2.935300     -0.2044000    
 N   0.9029000       2.753700     -0.4353000    
 C   -2.527900     -0.7147000     -1.9000000E-03
 C   -1.655600      -1.084100      -1.074700    
 C   -3.066400      -1.890900      0.5207000    
 C   -1.686400      -2.475200      -1.176300    
 C   -2.909600      0.5156000      0.5733000    
 C   -1.219100       3.774800      0.3357000    
 C   -1.692800       2.505100       1.039700    
 C  -0.2797000       3.501000     -0.8411000    
 C   -3.968400      -1.900400       1.590700    
 C  -0.8409000     -0.3603000      -1.970600    
 C   -3.810700      0.5222000       1.643900    
 C  -0.9433000      -3.181200      -2.129300    
 C   -4.331200     -0.6693000       2.143500    
 C    1.954700       2.858900      -1.437500    
 C  -9.2100002E-02  -1.052500      -2.929100    
 C  -0.1441000      -2.442200      -3.005500    
 C    3.169600       2.041500      -1.028400    
 C    3.483000     -6.9200002E-02  2.1700000E-02
 C    2.839100     -0.6607000       1.108400    
 C    4.856400     -0.2406000     -0.1530000    
 C    3.568400      -1.423800       2.020400    
 C    5.585600      -1.003600      0.7589000    
 C    4.941800      -1.595100       1.845500    
 C   0.9172000      -1.139000       2.425100    
 H  -0.7178000       4.428100       1.059800    
 H   -2.759200      -3.909600     -4.4500001E-02
 H   -2.350100       2.798800       1.866200    
 H  -0.8531000       1.935200       1.453800    
 H   6.2000002E-03   4.477000      -1.256800    
 H  -0.8117000       2.987200      -1.650200    
 H   -4.375000      -2.828000       1.979700    
 H  -0.7944000      0.7211000      -1.935100    
 H   -4.135800       1.457700       2.091400    
 H  -0.9833000      -4.263800      -2.189300    
 H   0.6638000       1.775700     -0.2782000    
 H   -5.033500     -0.6426000       2.972700    
 H    1.580600       2.482200      -2.397600    
 H    2.258700       3.903200      -1.571200    
 H   0.5356000     -0.4973000      -3.621200    
 H   0.4452000      -2.960700      -3.757300    
 H    3.937800       2.108100      -1.807000    
 H    3.586400       2.437500     -9.2699997E-02
 H   -2.937600       4.672900      0.5997000    
 H    5.370100      0.2073000     -0.9992000    
 H    3.135600      -1.913000       2.886200    
 H    6.654600      -1.138700      0.6218000    
 H    5.510700      -2.189700       2.554600    
 H    1.001800      -2.229200       2.362700    
 H    1.321000     -0.7413000       3.362300    
 H  -0.1518000     -0.9022000       2.415100    


%chk=000002585-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002585

0 1
O -1.747665 1.391517 -0.171124
O -2.176633 4.030721 -1.440210
O 3.209303 1.078498 0.094622
O 1.932814 -0.966703 1.136902
N -3.112160 -3.071151 -0.387441
N 1.257951 2.900732 -0.569411
C -2.449884 -0.885956 -0.146284
C -2.546310 -1.172447 -1.569288
C -2.812089 -2.079946 0.561511
C -2.960886 -2.546057 -1.684760
C -2.101187 0.273264 0.593538
C -1.085255 3.715379 -0.506219
C -1.465971 2.650087 0.531406
C 0.105647 3.309971 -1.397424
C -2.841354 -2.144861 1.973671
C -2.334641 -0.407564 -2.741954
C -2.129073 0.230192 2.007784
C -3.157803 -3.166085 -2.935693
C -2.497187 -0.970940 2.675520
C 2.564104 2.930808 -1.256801
C -2.531703 -1.022917 -3.996678
C -2.935836 -2.384428 -4.091443
C 3.647776 2.430202 -0.299252
C 3.869887 0.435623 1.146287
C 3.185506 -0.694979 1.698393
C 5.123892 0.820552 1.664301
C 3.787270 -1.427289 2.745282
C 5.716777 0.081601 2.718219
C 5.053013 -1.039485 3.252384
C 1.174851 -2.094570 1.685332
H -0.798649 4.616788 0.080310
H -3.412644 -4.017874 -0.168806
H -2.364483 2.962728 1.106909
H -0.622038 2.521284 1.238868
H 0.387751 4.193522 -1.998708
H -0.240141 2.524353 -2.105021
H -3.127289 -3.057896 2.505416
H -2.031739 0.640382 -2.663097
H -1.864715 1.108295 2.602790
H -3.472339 -4.212498 -3.016554
H 1.122869 1.958761 -0.171552
H -2.512528 -0.977721 3.771293
H 2.588613 2.304905 -2.181954
H 2.804293 3.970807 -1.553808
H -2.373442 -0.445644 -4.914110
H -3.080138 -2.835847 -5.079676
H 4.635341 2.387152 -0.801669
H 3.707732 3.075007 0.600189
H -3.012238 4.193260 -0.934047
H 5.645782 1.687807 1.247693
H 3.275047 -2.294290 3.173025
H 6.692513 0.386722 3.110607
H 5.507932 -1.616075 4.064826
H 1.715253 -3.050184 1.536034
H 0.960591 -1.949793 2.762383
H 0.230311 -2.102024 1.123090


