%chk=000057892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057892

0 1
 O   -2.164900     -0.6308000     -0.2827000    
 O   -3.749200      0.3402000      -2.351300    
 O   -1.844000      -2.569000      0.9171000    
 N    4.085700     -0.3220000      2.4999999E-03
 N   -4.440200       1.733500       1.009000    
 C   -4.249800      0.3117000      -1.011500    
 C   -3.995100       1.681000     -0.3768000    
 C   -3.574200     -0.8361000     -0.2643000    
 C    4.572800       1.020600     -7.2600000E-02
 C    2.713300     -0.6352000      8.9900002E-02
 C    6.090700       1.036800     -0.2201000    
 C   2.7799999E-02  -1.247300      0.2581000    
 C    2.304600      -1.966900      0.1603000    
 C    1.764500      0.3872000      0.1046000    
 C   0.9471000      -2.276400      0.2453000    
 C   0.4070000      7.7799998E-02  0.1897000    
 C   -1.417100      -1.576700      0.3473000    
 C    6.656200       2.444400     -0.3497000    
 C   -4.135200       3.027100       1.605200    
 H   -5.327400      0.1163000      -1.063700    
 H   -2.926900       1.924400     -0.4513000    
 H   -4.519400       2.442800     -0.9681000    
 H   -3.784600      -1.773100     -0.7951000    
 H   -3.937900     -0.9317000      0.7639000    
 H    4.137500       1.536100     -0.9374000    
 H    4.298800       1.577800      0.8315000    
 H    6.551200      0.5440000      0.6451000    
 H    6.383100      0.4543000      -1.102600    
 H    4.740800      -1.096200      6.0999999E-03
 H   -3.970700       1.012700       1.554600    
 H    3.033900      -2.772900      0.1485000    
 H    2.038500       1.436800      5.6800000E-02
 H   0.6409000      -3.317000      0.2958000    
 H  -0.3110000      0.8922000      0.2137000    
 H    6.248600       2.949800      -1.230900    
 H    6.415600       3.044500      0.5335000    
 H    7.745300       2.408100     -0.4510000    
 H   -4.221700       1.045700      -2.825300    
 H   -3.057600       3.220500       1.617000    
 H   -4.491100       3.044100       2.640000    
 H   -4.639500       3.838800       1.070900    


%chk=000057892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057892

0 1
O -2.307866 -0.554799 -0.317572
O -4.345570 0.333495 -2.403102
O -1.909879 -2.784207 0.249126
N 4.092418 -0.256368 0.181272
N -4.005002 1.635455 1.137711
C -4.503711 0.339486 -0.935316
C -4.019572 1.682742 -0.337263
C -3.753786 -0.882451 -0.411062
C 4.663993 1.057365 -0.136308
C 2.739356 -0.559793 0.133017
C 6.197580 1.038938 0.018959
C -0.039213 -1.231974 0.044784
C 2.291406 -1.878870 0.466895
C 1.763610 0.414873 -0.247059
C 0.931634 -2.203265 0.421242
C 0.401493 0.076613 -0.288613
C -1.461246 -1.631445 0.011423
C 6.828858 2.409647 -0.300989
C -3.968098 2.950761 1.804650
H -5.572222 0.196196 -0.663064
H -3.030239 1.924804 -0.790602
H -4.728152 2.479188 -0.644708
H -3.894159 -1.737830 -1.093173
H -4.118459 -1.161843 0.593006
H 4.403660 1.348886 -1.176659
H 4.235085 1.833940 0.533182
H 6.454718 0.742392 1.055868
H 6.621865 0.266799 -0.654022
H 4.739487 -0.997475 0.451615
H -3.249049 1.019497 1.465668
H 3.026818 -2.639141 0.759227
H 2.075749 1.428958 -0.513428
H 0.587356 -3.211980 0.673160
H -0.339594 0.822797 -0.590168
H 6.604843 2.719042 -1.338792
H 6.443423 3.193786 0.376775
H 7.926867 2.376531 -0.188653
H -4.808677 1.123973 -2.780585
H -3.103055 3.595799 1.513581
H -3.932592 2.807114 2.899220
H -4.893676 3.510265 1.572756


