%chk=000004387.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004387

0 1
 O   -4.019400     -0.2362000       1.889900    
 O   -4.740700       1.129700      0.2303000    
 N   0.9637000       1.027800     -0.3067000    
 N   -3.973500     -0.5927000      -1.722300    
 N    3.067300      9.7800002E-02  0.1820000    
 N    2.778800       2.401000     -0.4153000    
 C   -2.143000      -1.189600     -0.1597000    
 C   -1.291500      7.3700003E-02 -0.3650000    
 C   -3.652900     -0.9783000     -0.3484000    
 C   0.1939000     -0.1773000     -0.1093000    
 C   -4.198300      9.0200000E-02  0.5823000    
 C    2.337700       1.119400     -0.1580000    
 C    4.502500      0.3142000      0.3085000    
 C    5.188400     -0.9862000      0.7082000    
 C    4.987100      -2.093500     -0.3165000    
 H   -1.961400      -1.571700      0.8531000    
 H   -1.797400      -1.971700     -0.8480000    
 H   -1.414000      0.4473000      -1.388600    
 H   -1.635600      0.8719000      0.3037000    
 H   -4.187500      -1.909400     -0.1291000    
 H   0.3340000     -0.5362000      0.9169000    
 H   0.5555000     -0.9582000     -0.7883000    
 H   0.4527000       1.865200     -0.5725000    
 H   -3.532800      0.2963000      -1.953200    
 H   -3.583300      -1.277100      -2.369100    
 H    4.709700       1.065700       1.079800    
 H    4.926400      0.6649000     -0.6405000    
 H    6.261800     -0.8026000      0.8323000    
 H    4.803900      -1.325700       1.677400    
 H    5.540500      -2.988900     -1.5400000E-02
 H    3.932100      -2.369300     -0.4089000    
 H    5.351200      -1.786300      -1.302100    
 H    3.757300       2.658800     -0.3550000    
 H    2.129900       3.136000     -0.6752000    
 H   -4.371800      0.4550000       2.490200    


%chk=000004387-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004387

0 1
O -4.537239 -0.156505 1.600872
O -4.610720 0.993846 -0.414186
N 0.976655 1.295840 -0.022360
N -3.560366 -1.196446 -1.753384
N 3.062393 0.276623 0.406548
N 2.908657 2.577350 -0.373795
C -1.993709 -1.133102 0.277493
C -1.214924 0.138673 -0.116723
C -3.457591 -1.197393 -0.294356
C 0.257557 0.062016 0.331185
C -4.257310 -0.014139 0.237794
C 2.380042 1.332511 0.026489
C 4.535029 0.284320 0.303340
C 5.071366 -1.163123 0.367659
C 4.616203 -2.011298 -0.836858
H -2.040102 -1.231913 1.379171
H -1.461004 -2.027680 -0.104121
H -1.255722 0.282867 -1.213778
H -1.700478 1.027302 0.339870
H -3.921572 -2.111706 0.126917
H 0.320161 -0.141159 1.423171
H 0.777622 -0.777872 -0.162006
H 0.493271 2.175044 0.176452
H -3.727681 -0.280829 -2.176527
H -2.897568 -1.794180 -2.247205
H 4.982654 0.863359 1.144204
H 4.899430 0.755716 -0.644775
H 6.178790 -1.137449 0.421343
H 4.704775 -1.621732 1.305714
H 4.957082 -3.059314 -0.747632
H 3.513522 -2.005309 -0.899305
H 5.015473 -1.602867 -1.785673
H 3.906919 2.740305 -0.279254
H 2.385545 3.178000 -1.007888
H -5.035859 0.644243 1.919104


