%chk=000045913.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045913

0 1
 O  -0.8700000      0.6699000      -1.136600    
 O   0.1013000      0.3178000      0.9297000    
 N   -4.204500      0.1351000      0.3452000    
 C    1.361100     -4.0100001E-02  -1.094100    
 C    1.291600      -1.522200      -1.482200    
 C    1.766200      -2.426600     -0.3491000    
 C    2.622800      0.3348000     -0.3489000    
 C    3.213600      -2.114200      1.7100001E-02
 C    3.474600     -0.6410000      0.2020000    
 C   0.1457000      0.3295000     -0.2931000    
 C    2.942900       1.693400     -0.1844000    
 C    4.632600     -0.2400000      0.8872000    
 C   -2.950700     -0.1976000     -0.3144000    
 C   -2.096400       1.046000     -0.5020000    
 C    4.090600       2.078600      0.5080000    
 C    4.935500       1.111900       1.043300    
 C   -5.010200      -1.068600      0.5642000    
 C   -4.960500       1.112900     -0.4413000    
 C   -4.247200      -2.099300       1.378700    
 C   -6.239300       1.519700      0.2711000    
 H    1.347200      0.5511000      -2.020700    
 H   0.2723000      -1.802800      -1.773900    
 H    1.928900      -1.695000      -2.359600    
 H    1.121100      -2.294400      0.5281000    
 H    1.682700      -3.477500     -0.6487000    
 H    3.467600      -2.657100      0.9354000    
 H    3.876700      -2.479800     -0.7770000    
 H    2.294400       2.462300     -0.5982000    
 H    5.308100     -0.9844000       1.302000    
 H   -3.112800     -0.6863000      -1.284800    
 H   -2.352800     -0.8945000      0.2820000    
 H   -2.544000       1.760000      -1.197400    
 H   -1.914900       1.576800      0.4408000    
 H    4.325000       3.132300      0.6268000    
 H    5.832500       1.409200       1.578500    
 H   -5.904500     -0.8322000       1.149900    
 H   -5.340500      -1.517900     -0.3809000    
 H   -4.403200       2.046800     -0.5536000    
 H   -5.194200      0.7408000      -1.446600    
 H   -3.484100      -2.618000      0.7901000    
 H   -3.777500      -1.654600       2.262800    
 H   -4.940600      -2.870600       1.733200    
 H   -7.010100      0.7445000      0.2230000    
 H   -6.056400       1.776400       1.320200    
 H   -6.662100       2.408000     -0.2123000    


%chk=000045913-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045913

0 1
O -0.656910 0.734932 -0.679125
O -0.365551 -1.382057 0.252772
N -4.364642 0.359370 0.081287
C 1.369257 -0.425725 -1.266188
C 1.714460 -1.824864 -1.837214
C 2.322451 -2.753336 -0.764359
C 2.481932 0.140232 -0.360685
C 3.643109 -2.158988 -0.235091
C 3.529981 -0.683400 0.136393
C 0.052100 -0.454155 -0.479819
C 2.448696 1.516405 -0.016200
C 4.516104 -0.097770 0.972651
C -3.098243 0.170554 -0.668902
C -1.945653 0.873600 0.075712
C 3.437038 2.085314 0.811903
C 4.479310 1.269760 1.312745
C -4.845364 -0.874924 0.756078
C -5.419682 1.079422 -0.679708
C -3.880080 -1.395410 1.838003
C -6.465652 1.763404 0.222620
H 1.210841 0.286554 -2.096486
H 0.808054 -2.282048 -2.275647
H 2.444959 -1.691359 -2.660251
H 1.596339 -2.874266 0.058812
H 2.510422 -3.754524 -1.195894
H 4.000786 -2.733546 0.640698
H 4.426889 -2.266815 -1.015043
H 1.631186 2.138057 -0.400620
H 5.323782 -0.731855 1.360565
H -3.178679 0.595414 -1.688490
H -2.852388 -0.904532 -0.784194
H -2.113654 1.959815 0.133016
H -1.819100 0.449967 1.085190
H 3.395798 3.150311 1.066069
H 5.252138 1.696432 1.962145
H -5.815758 -0.643126 1.230885
H -5.037295 -1.689470 0.009841
H -4.916979 1.860340 -1.280690
H -5.940392 0.402433 -1.405139
H -2.894991 -1.673087 1.421491
H -3.724267 -0.626309 2.615673
H -4.305387 -2.295858 2.319032
H -7.065894 1.033897 0.795023
H -5.964328 2.434616 0.941804
H -7.166242 2.359695 -0.391163


