%chk=000033369.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033369

0 1
 O   -3.256500     -0.2704000     -0.5848000    
 O   -1.547200       1.914200     -0.7625000    
 O    5.088900      -1.470200     -2.3800001E-02
 O    6.761000      0.5524000      0.6315000    
 N    5.377300      0.7544000      0.5333000    
 C   -1.907700     -0.4374000     -0.4917000    
 C   -1.049800      0.6589000     -0.5813000    
 C   -4.075000      -1.197500      0.1256000    
 C   -5.373200     -0.5081000      0.5166000    
 C   0.8510000     -0.8060000     -0.3010000    
 C   0.3297000      0.4746000     -0.4859000    
 C   -1.386400      -1.717800     -0.3067000    
 C  -7.1000000E-03  -1.902100     -0.2114000    
 C   -6.292600      -1.433800       1.292800    
 C   -1.250700       2.880400      0.2438000    
 C    2.289000     -0.9985000     -0.2006000    
 C   -2.375400       3.892000      0.3027000    
 C    3.185700     -3.5200000E-02  0.1093000    
 C    4.638900     -0.3501000      0.1938000    
 H   -3.587600      -1.542000       1.047100    
 H   -4.285400      -2.057500     -0.5207000    
 H   -5.882900     -0.1458000     -0.3842000    
 H   -5.150800      0.3833000       1.115600    
 H   0.9729000       1.343800     -0.5903000    
 H   -2.014700      -2.602300     -0.2609000    
 H   0.3815000      -2.908100     -7.2200000E-02
 H   -5.818000      -1.773200       2.219000    
 H   -7.218800     -0.9140000       1.557200    
 H   -6.555500      -2.314500      0.6982000    
 H   -1.142300       2.404200       1.226400    
 H  -0.3115000       3.383300     -1.0900000E-02
 H    2.637900      -2.012200     -0.3853000    
 H   -3.324000       3.399300      0.5407000    
 H   -2.505700       4.381000     -0.6684000    
 H   -2.175100       4.656300       1.058700    
 H    2.891700      0.9851000      0.3298000    
 H    5.037400       1.700900      0.6635000    
 H    7.085700       1.384500      0.2478000    


%chk=000033369-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033369

0 1
O -3.350217 -0.191727 0.293505
O -1.864400 1.991750 0.262110
O 5.199914 -1.355577 -0.095266
O 7.007041 0.533984 -0.127181
N 5.616587 0.881751 -0.069233
C -1.975665 -0.401291 0.229726
C -1.161288 0.785108 0.211533
C -4.228367 -1.380118 0.335470
C -5.667364 -0.866181 0.413572
C 0.874023 -0.609835 0.100523
C 0.237707 0.669377 0.147629
C -1.350063 -1.667209 0.183193
C 0.055150 -1.767434 0.119100
C -6.680715 -2.028113 0.505625
C -1.079146 3.242025 0.247402
C 2.325364 -0.777812 0.036006
C -2.082770 4.389862 0.308859
C 3.287553 0.198860 0.012810
C 4.710656 -0.162566 -0.051903
H -3.975359 -1.995615 1.224189
H -4.070044 -1.990959 -0.577996
H -5.873794 -0.244200 -0.476810
H -5.759690 -0.205168 1.295039
H 0.852843 1.573203 0.134016
H -1.952396 -2.579572 0.195965
H 0.525046 -2.756774 0.083452
H -6.508157 -2.642886 1.408946
H -7.713437 -1.640821 0.556149
H -6.615563 -2.694295 -0.375367
H -0.393687 3.256811 1.120553
H -0.471930 3.285020 -0.680948
H 2.696650 -1.812408 0.003213
H -2.685089 4.330165 1.231038
H -2.767782 4.352536 -0.554931
H -1.552207 5.359402 0.296467
H 3.033607 1.266808 0.041838
H 5.465365 1.887131 -0.033000
H 6.926323 -0.481331 -0.144495


