%chk=000058470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058470

0 1
 O    1.713800       1.069600     -0.1210000    
 O   -2.646400       1.215600     -0.6054000    
 O   0.2970000       1.111900       1.671800    
 N  -0.1432000       2.434200     -0.1900000    
 N    4.578900      -1.206200      0.3489000    
 C   -1.366500       3.028800      0.3290000    
 C   -2.416100       1.950800      0.5911000    
 C   0.2630000       2.865300      -1.524000    
 C    3.710300     -0.2486000     -0.3191000    
 C   -1.063800       3.819800       1.595100    
 C    2.529900      0.1147000      0.5675000    
 C   0.5991000       1.504700      0.5462000    
 C    3.843800      -2.429100      0.6809000    
 C    5.738600      -1.525200     -0.4875000    
 C    1.170300       4.081900      -1.455300    
 C   -3.024200     -9.3199998E-02 -0.4616000    
 C    4.722500      -3.408900       1.440100    
 C    6.518500     -0.2716000     -0.8458000    
 C   -3.750000     -0.4814000      0.6594000    
 C   -2.678400      -1.021200      -1.437800    
 C   -4.134400      -1.814300      0.8060000    
 C   -3.063200      -2.353900      -1.291100    
 C   -3.791100      -2.750400     -0.1693000    
 C   -4.912700      -2.238000       2.005500    
 C   -2.695500      -3.355100      -2.333600    
 H   -1.762400       3.722000     -0.4235000    
 H   -2.087500       1.304700       1.413000    
 H   -3.356800       2.429000      0.8917000    
 H  -0.6251000       3.074900      -2.130700    
 H   0.7944000       2.051700      -2.029400    
 H    3.346900     -0.6255000      -1.284800    
 H    4.224700      0.6949000     -0.5322000    
 H   -1.952900       4.374300       1.915400    
 H  -0.7608000       3.187600       2.434800    
 H  -0.2637000       4.547700       1.422100    
 H    2.874900      0.5491000       1.513600    
 H    1.881300     -0.7415000      0.7689000    
 H    3.425200      -2.913500     -0.2100000    
 H    3.018400      -2.223400       1.367200    
 H    5.448900      -2.052900      -1.404900    
 H    6.441200      -2.165200      5.5900000E-02
 H    1.484000       4.379000      -2.460700    
 H    2.068100       3.874100     -0.8640000    
 H   0.6559000       4.931400     -0.9946000    
 H    5.448700      -3.909000      0.7919000    
 H    5.255600      -2.922900       2.264500    
 H    4.100200      -4.198900       1.875800    
 H    6.020600      0.3263000      -1.615500    
 H    6.705700      0.3571000      3.1500001E-02
 H    7.494600     -0.5537000      -1.257000    
 H   -4.061900      0.2302000       1.418400    
 H   -2.111700     -0.7035000      -2.309300    
 H   -4.093700      -3.789000     -5.7599999E-02
 H   -4.760400      -3.300200       2.224800    
 H   -4.598600      -1.679800       2.894100    
 H   -5.980900      -2.066100       1.840100    
 H   -1.763200      -3.078100      -2.837400    
 H   -2.538500      -4.345000      -1.891900    
 H   -3.490400      -3.426500      -3.082600    


%chk=000058470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058470

0 1
O 2.405736 1.852415 -0.353297
O -2.178374 0.894733 -0.499344
O 1.219010 1.337169 1.612890
N 0.215282 2.547103 -0.137259
N 4.434018 -1.209202 0.563997
C -1.064916 2.729011 0.606859
C -1.783567 1.387000 0.831502
C 0.292433 3.063978 -1.526339
C 3.395585 -0.431171 -0.154444
C -0.889514 3.501310 1.933855
C 3.542949 1.062564 0.193544
C 1.253779 1.873329 0.464250
C 4.005075 -1.584322 1.941428
C 4.979356 -2.350238 -0.216215
C 0.611433 4.572655 -1.587218
C -2.815841 -0.356664 -0.574453
C 5.187548 -1.751528 2.914107
C 5.925306 -1.904330 -1.347361
C -3.115069 -1.164594 0.544886
C -3.160456 -0.779689 -1.882996
C -3.766632 -2.413489 0.356933
C -3.808170 -2.015537 -2.081608
C -4.106141 -2.826104 -0.950210
C -4.087925 -3.283883 1.561361
C -4.186713 -2.479364 -3.478570
H -1.706790 3.328525 -0.065649
H -1.109051 0.668489 1.332914
H -2.687646 1.544802 1.455271
H -0.677594 2.849451 -2.011356
H 1.068954 2.495333 -2.060062
H 2.364175 -0.765442 0.104260
H 3.516959 -0.563394 -1.243957
H -1.877529 3.725275 2.376495
H -0.296227 2.916745 2.654939
H -0.369930 4.457505 1.748534
H 4.436541 1.496813 -0.280005
H 3.584629 1.203922 1.286712
H 3.388803 -2.518620 1.928509
H 3.340687 -0.784184 2.316976
H 4.160587 -2.988294 -0.636128
H 5.546966 -2.991134 0.482902
H 0.633988 4.915373 -2.638339
H 1.596976 4.777845 -1.134380
H -0.150051 5.169641 -1.052072
H 5.872799 -2.559756 2.598925
H 5.769908 -0.815104 2.967763
H 4.820716 -2.000303 3.927629
H 5.409448 -1.263301 -2.085389
H 6.770778 -1.330132 -0.930082
H 6.323757 -2.782869 -1.888766
H -2.849876 -0.847589 1.558701
H -2.911904 -0.127991 -2.727211
H -4.608517 -3.790494 -1.097086
H -4.565175 -4.231397 1.257858
H -3.173678 -3.533398 2.132177
H -4.775840 -2.768130 2.258054
H -3.844542 -1.767643 -4.249197
H -3.742086 -3.466190 -3.706900
H -5.283425 -2.586006 -3.580737


