%chk=000030321.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030321

0 1
 O  -0.5764000       3.634200      -1.223000    
 O  -2.6400000E-02   3.893100      0.9672000    
 O    4.300200      -1.962400      0.2586000    
 O   -3.405800      -1.552900      -1.416300    
 N    2.296500     -0.9936000     -0.5246000    
 N   -2.388300      -1.189800      0.6781000    
 C    1.090800     -0.3437000     -0.2355000    
 C  -4.6100002E-02  -1.089500      7.6600000E-02
 C    1.026100       1.049500     -0.2591000    
 C   -1.247400     -0.4418000      0.3650000    
 C   -1.311800      0.9514000      0.3413000    
 C  -0.1751000       1.697100      2.9400000E-02
 C   2.2900000E-02  -2.585900      0.1014000    
 C    2.246900       1.850800     -0.5938000    
 C   -2.601800       1.647400      0.6506000    
 C    2.537500      -1.446300      -1.927500    
 C  -0.2426000       3.155200      4.4000000E-03
 C    3.268300      -1.323400      0.4789000    
 C   -3.362600      -1.680500     -0.1970000    
 C    3.031900     -0.8270000       1.887000    
 C   -4.436800      -2.441900      0.5383000    
 H  -0.2534000      -2.987400     -0.8790000    
 H    1.014200      -2.964500      0.3658000    
 H  -0.6498000      -3.011700      0.8537000    
 H    3.121100       1.255100     -0.8672000    
 H    2.046900       2.506100      -1.448800    
 H    2.538100       2.465400      0.2651000    
 H   -3.253600       1.055300       1.301100    
 H   -2.442000       2.586500       1.190000    
 H   -3.141800       1.861400     -0.2775000    
 H   -2.504800      -1.387300       1.669700    
 H    2.123300     -0.7143000      -2.626700    
 H    2.053900      -2.417100      -2.064900    
 H    3.610800      -1.553500      -2.105000    
 H    2.083000      -1.209400       2.270800    
 H    3.029800      0.2654000       1.905200    
 H    3.833300      -1.182600       2.541600    
 H   -3.996400      -3.304900       1.045400    
 H   -5.193000      -2.792900     -0.1693000    
 H   -4.915700      -1.790000       1.274400    
 H  -0.6194000       4.614100      -1.233400    


%chk=000030321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030321

0 1
O -1.084129 3.865217 -0.746320
O 0.741092 3.971614 0.667252
O 4.380801 -1.903615 0.101674
O -2.658170 -2.407636 -1.278833
N 2.302391 -1.052222 -0.524535
N -2.504953 -1.077996 0.643724
C 1.084189 -0.335725 -0.216945
C -0.090579 -1.085850 0.083747
C 1.082549 1.084536 -0.245328
C -1.292980 -0.370569 0.328424
C -1.340817 1.054527 0.320203
C -0.141724 1.767562 0.039334
C -0.042309 -2.593077 0.182063
C 2.348472 1.849304 -0.590335
C -2.659647 1.734495 0.649882
C 2.462886 -1.544409 -1.908747
C -0.094971 3.264827 0.056665
C 3.315947 -1.289013 0.416317
C -3.130408 -2.032690 -0.168175
C 3.066888 -0.774884 1.831986
C -4.423861 -2.606928 0.407355
H -0.485328 -3.051045 -0.721446
H 0.991128 -2.954637 0.295892
H -0.644505 -2.948016 1.038190
H 3.135369 1.167980 -0.946128
H 2.161219 2.604930 -1.374416
H 2.729078 2.401506 0.286893
H -2.935568 1.581225 1.713434
H -2.626735 2.815292 0.465034
H -3.475275 1.313338 0.034636
H -3.036788 -0.744341 1.450923
H 2.466604 -0.701100 -2.624397
H 1.638192 -2.229310 -2.176905
H 3.424328 -2.079391 -1.964494
H 2.079558 -1.083667 2.217513
H 3.106185 0.328847 1.867615
H 3.859416 -1.176771 2.480042
H -4.240794 -3.640586 0.751963
H -5.177994 -2.657289 -0.394605
H -4.831234 -2.025416 1.253087
H -0.973022 4.854680 -0.691242


