%chk=000053406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053406

0 1
 O  -0.3444000      -1.547600      1.4400000E-02
 O    4.481200      -1.638000     -0.1037000    
 O    1.959300      -3.090700     -9.1700003E-02
 O    2.278200       2.475200      9.0999998E-02
 O   0.3891000       3.208600     -0.9931000    
 N   -3.165000      -1.668000     -0.2079000    
 N  -0.2083000       1.219800      0.1055000    
 C   -3.769600     -0.5991000      -1.015200    
 C   -4.195300      -2.500500      0.4286000    
 C   -4.662100      0.3009000     -0.1592000    
 C   -5.101600      -1.662600       1.331900    
 C   -5.733500     -0.5069000      0.5645000    
 C   -2.278400      -2.490700      -1.030300    
 C  -0.9469000      -1.790700      -1.250000    
 C   0.8818000     -0.9356000      7.3000002E-03
 C   0.9654000      0.4584000      5.2999999E-02
 C    2.031200      -1.729500     -4.7600001E-02
 C    2.207000       1.108900      4.5299999E-02
 C    3.376100      0.3300000     -9.6000005E-03
 C    3.250600      -1.054700     -5.3900000E-02
 C   -1.855900       2.991900     -0.1355000    
 C    4.771300      0.5921000     -3.4299999E-02
 C  -0.4262000       2.509100     -0.3986000    
 C    5.394900     -0.6328000     -9.1200002E-02
 C   -2.168600       3.003400       1.359600    
 C   -2.057600       4.383800     -0.7317000    
 C    2.585600      -3.806100      0.9704000    
 C    2.341900       3.071300       1.381800    
 H   -4.362000      -1.019600      -1.838700    
 H   -3.000000      3.5999998E-02  -1.464600    
 H   -3.722700      -3.271300       1.049800    
 H   -4.801700      -3.016300     -0.3276000    
 H   -4.050900      0.8265000      0.5832000    
 H   -5.133800       1.064400     -0.7878000    
 H   -4.517700      -1.266900       2.172700    
 H   -5.887300      -2.296300       1.758600    
 H   -6.450700     -0.9009000     -0.1659000    
 H   -6.292800      0.1389000       1.250100    
 H   -2.739300      -2.763400      -1.987500    
 H   -2.059200      -3.427900     -0.5014000    
 H  -0.2967000      -2.449200      -1.839300    
 H   -1.059600     -0.8554000      -1.808700    
 H   -1.043200      0.6907000      0.3493000    
 H   -2.535700       2.301600     -0.6453000    
 H    5.261900       1.554900     -1.3000000E-02
 H    6.429100     -0.9425000     -0.1266000    
 H   -1.451600       3.626200       1.906300    
 H   -2.126400       1.999300       1.793100    
 H   -3.173600       3.397700       1.543800    
 H   -1.855400       4.382800      -1.808400    
 H   -3.089100       4.722400     -0.5869000    
 H   -1.391000       5.119400     -0.2676000    
 H    3.648900      -3.946800      0.7572000    
 H    2.453900      -3.296200       1.930800    
 H    2.116900      -4.792200       1.037100    
 H    1.495000       2.762200       2.002900    
 H    3.281600       2.807200       1.876900    
 H    2.306300       4.157500       1.260700    


%chk=000053406-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053406

0 1
O -0.198767 -1.479314 0.368506
O 4.659303 -1.550450 -0.728015
O 1.957241 -3.060716 -0.551590
O 2.786029 2.391914 0.941145
O 0.263545 3.076880 -0.551636
N -3.233588 -1.423598 -0.129951
N -0.070450 1.128757 0.712373
C -3.884811 -1.065342 -1.420419
C -4.247072 -1.733002 0.916759
C -4.836959 0.137292 -1.266491
C -5.194193 -0.538997 1.146115
C -5.892598 -0.135502 -0.171926
C -2.263146 -2.536333 -0.305248
C -0.889671 -2.086600 -0.802705
C 1.077258 -0.918829 0.153680
C 1.182274 0.485503 0.462328
C 2.183133 -1.711051 -0.236499
C 2.459529 1.108299 0.502840
C 3.566712 0.339444 0.048128
C 3.410880 -1.017861 -0.329302
C -1.956637 2.700106 0.458179
C 4.975256 0.654841 -0.112182
C -0.494516 2.330963 0.135266
C 5.591581 -0.484143 -0.578716
C -1.985586 3.601604 1.724061
C -2.595340 3.419171 -0.749324
C 3.026812 -4.017961 -0.196728
C 2.027548 2.982315 2.056525
H -4.464348 -1.940978 -1.820682
H -3.097764 -0.831037 -2.161369
H -3.710439 -1.980651 1.851284
H -4.860254 -2.630121 0.633846
H -4.246208 1.032260 -0.995508
H -5.323988 0.342864 -2.239021
H -4.604216 0.316769 1.530406
H -5.939410 -0.805469 1.919952
H -6.559395 -0.960029 -0.499657
H -6.531269 0.754584 -0.018210
H -2.658627 -3.314087 -1.006896
H -2.108980 -3.031312 0.671267
H -0.291049 -2.945722 -1.154478
H -0.960843 -1.329952 -1.608492
H -0.806391 0.470309 1.002245
H -2.522146 1.770488 0.676920
H 5.440587 1.616934 0.085467
H 6.611906 -0.730104 -0.858925
H -1.426829 4.537102 1.538118
H -1.537208 3.093475 2.597405
H -3.027337 3.869351 1.978631
H -2.641332 2.759660 -1.634678
H -3.621662 3.750507 -0.505843
H -1.989991 4.300043 -1.024140
H 3.944590 -3.819296 -0.774520
H 3.247936 -3.967483 0.885886
H 2.616821 -5.006642 -0.452451
H 1.134592 3.505788 1.681919
H 1.743849 2.210279 2.795751
H 2.719034 3.707778 2.513603


