%chk=000107544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107544

0 1
 O   -1.171000       2.936700     -0.7948000    
 O   -1.965000      -4.220000     -0.4073000    
 N  -0.5214000       1.163400      0.6057000    
 N   -3.318400       3.389000      0.8058000    
 C   -2.796300       2.022300      0.7357000    
 C   -3.743700       1.123900     -7.5400002E-02
 C   -3.267100     -0.3069000     -0.1640000    
 C   -1.418300       2.103900      7.3700003E-02
 C   0.8111000      0.9451000      0.2537000    
 C    2.892800     -0.2760000      0.5596000    
 C    3.493700      0.5077000     -0.4543000    
 C    1.550500     -4.4799998E-02  0.9015000    
 C   -2.443300     -0.6835000      -1.212000    
 C   -3.664100      -1.214600      0.8041000    
 C    1.402000       1.715800     -0.7431000    
 C    2.734400       1.499600      -1.095900    
 C    3.651900      -1.268300       1.201100    
 C    4.836200      0.2764000     -0.7961000    
 C   -2.004100      -2.005000      -1.294000    
 C   -3.224800      -2.535900      0.7221000    
 C   -2.394900      -2.931100     -0.3270000    
 C    4.984400      -1.484300      0.8488000    
 C    5.575500     -0.7134000     -0.1478000    
 H   -2.696700       1.642200       1.758900    
 H   -4.748200       1.142300      0.3690000    
 H   -3.867000       1.518500      -1.094000    
 H  -0.8771000      0.5533000       1.338500    
 H    1.080300     -0.6442000       1.679800    
 H   -3.409100       3.777700     -0.1319000    
 H   -2.662300       3.985500       1.308100    
 H   -2.136800      2.7100001E-02  -1.974100    
 H   -4.308100     -0.9152000       1.625900    
 H   0.8959000       2.497500      -1.291800    
 H    3.176800       2.112900      -1.878400    
 H    3.210600      -1.883100       1.982900    
 H    5.318600      0.8669000      -1.572200    
 H   -1.358000      -2.300000      -2.116400    
 H   -3.531800      -3.252600       1.478900    
 H    5.560500      -2.254900       1.352900    
 H    6.612900     -0.8821000     -0.4215000    
 H   -1.400100      -4.315400      -1.193300    


%chk=000107544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107544

0 1
O -1.143095 3.185806 -0.696386
O -1.723896 -4.275403 0.040351
N -0.567528 1.269646 0.546492
N -3.594601 3.407043 0.708214
C -2.905641 2.108438 0.644444
C -3.728446 1.129458 -0.260631
C -3.225602 -0.304667 -0.229666
C -1.450843 2.246292 0.100491
C 0.801578 1.065226 0.210034
C 2.802547 -0.364555 0.400422
C 3.557091 0.590470 -0.387140
C 1.426933 -0.099944 0.681636
C -2.480591 -0.854094 -1.302606
C -3.454583 -1.124616 0.909745
C 1.545037 2.013699 -0.575177
C 2.887516 1.767706 -0.856946
C 3.463625 -1.548677 0.872539
C 4.937504 0.327448 -0.669044
C -1.970648 -2.169978 -1.246643
C -2.951158 -2.439021 0.986342
C -2.203621 -2.960463 -0.095796
C 4.810125 -1.777947 0.581126
C 5.555345 -0.832879 -0.195701
H -2.879880 1.683511 1.667499
H -4.767883 1.197193 0.108728
H -3.720189 1.526396 -1.293799
H -0.984845 0.533290 1.124113
H 0.857519 -0.829976 1.273010
H -3.506018 3.908257 -0.187290
H -3.241427 4.002576 1.468014
H -2.286664 -0.243026 -2.191945
H -4.049440 -0.732736 1.744681
H 1.036700 2.907016 -0.941613
H 3.452641 2.492566 -1.455070
H 2.895453 -2.272628 1.469288
H 5.504005 1.053931 -1.264079
H -1.392976 -2.570907 -2.089604
H -3.134172 -3.073817 1.858455
H 5.305039 -2.684177 0.947696
H 6.611150 -1.025560 -0.415263
H -1.225562 -4.554497 -0.767519


