%chk=000056394.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056394

0 1
 O    1.287200      -2.236400       1.017600    
 O   -4.324700      0.7375000     -0.1638000    
 O   -3.476800      -1.379600     -0.4952000    
 N  -0.9883000     -0.5855000      0.2240000    
 C    2.461600      0.9501000      0.1122000    
 C    2.555200     -0.5589000     -0.2538000    
 C   0.9569000       1.018900     -0.2931000    
 C   0.2922000     -4.1999999E-02  0.6310000    
 C    2.054600     -0.6171000      -1.715000    
 C   0.9852000      0.4960000      -1.756000    
 C    1.366100      -1.111700      0.5469000    
 C    2.725800       1.277900       1.595900    
 C    3.396100       1.866300     -0.7052000    
 C    3.865100      -1.265500      1.3000000E-03
 C   -2.036300      0.4279000      0.2858000    
 C   -2.165500      0.9481000       1.711000    
 C   -3.335600     -0.2071000     -0.1730000    
 C   -5.618700      0.2810000     -0.5707000    
 H   0.5068000       2.011300     -0.2048000    
 H   0.2802000      0.2872000       1.673600    
 H    1.614500      -1.589700      -1.964800    
 H    2.852900     -0.4163000      -2.437500    
 H    1.280300       1.288900      -2.451500    
 H   1.8200001E-02  0.1171000      -2.100000    
 H    2.328800       2.268200       1.846000    
 H    2.298400      0.5591000       2.299800    
 H    3.802200       1.289500       1.804300    
 H    3.148000       2.918400     -0.5241000    
 H    4.441900       1.715300     -0.4144000    
 H    3.349100       1.708800      -1.784900    
 H    3.803100      -2.320300     -0.2885000    
 H    4.682000     -0.8103000     -0.5673000    
 H    4.132200      -1.238300       1.062900    
 H   -1.231100      -1.364000      0.8376000    
 H   -1.822300       1.244600     -0.4134000    
 H   -3.076400       1.544600       1.835800    
 H   -2.228700      0.1316000       2.440300    
 H   -1.336900       1.606000       1.991500    
 H   -5.972800     -0.5036000      0.1047000    
 H   -5.585200     -8.1900001E-02  -1.602300    
 H   -6.309400       1.126800     -0.5185000    


%chk=000056394-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056394

0 1
O 1.172301 -2.229078 0.982262
O -4.346124 0.754878 -0.389613
O -3.577985 -1.422411 -0.072325
N -0.989710 -0.379123 0.246521
C 2.547203 0.991047 0.076805
C 2.591514 -0.560291 -0.234969
C 1.028176 1.138649 -0.327096
C 0.341589 0.090811 0.614557
C 2.031450 -0.600204 -1.717661
C 0.977967 0.559947 -1.768956
C 1.371524 -1.068528 0.549220
C 2.868680 1.330030 1.557031
C 3.493209 1.838060 -0.805626
C 3.881552 -1.342312 -0.011207
C -2.134547 0.497009 0.530699
C -2.376327 0.831051 2.040181
C -3.390219 -0.186830 -0.010652
C -5.641448 0.201775 -0.859855
H 0.625652 2.161134 -0.225074
H 0.376581 0.490885 1.656785
H 1.593096 -1.584946 -1.956514
H 2.872913 -0.436684 -2.415209
H 1.237865 1.320628 -2.524575
H -0.035843 0.183065 -1.985355
H 2.534432 2.356238 1.801017
H 2.403854 0.639925 2.282546
H 3.960643 1.290061 1.727261
H 3.353527 2.913106 -0.582904
H 4.549471 1.590663 -0.590006
H 3.327940 1.698475 -1.886257
H 3.708957 -2.421251 -0.174520
H 4.675157 -1.009698 -0.704991
H 4.252569 -1.224717 1.023301
H -1.161794 -1.367929 0.474436
H -2.009149 1.449691 -0.016710
H -3.244091 1.504480 2.155354
H -2.558657 -0.093483 2.616774
H -1.492229 1.338692 2.465478
H -6.101169 -0.417738 -0.071563
H -5.485284 -0.415729 -1.759997
H -6.257347 1.083554 -1.084190


