%chk=000040175.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040175

0 1
 O   -1.136400       1.575100       1.482000    
 O    2.934300       1.731500     -0.8681000    
 O   -2.534200       2.133300     -0.2139000    
 O    4.223400     -0.2763000      0.5568000    
 N   -3.572200     -0.4241000     -0.1147000    
 C   -1.238500     -0.7983000     -0.7624000    
 C   -2.182400     -0.2241000      0.3041000    
 C   0.2166000     -0.6562000     -0.4125000    
 C   0.9081000      0.4822000     -0.8061000    
 C   0.8521000      -1.665300      0.2997000    
 C   -1.985300       1.274000      0.4645000    
 C    2.258500      0.6138000     -0.4818000    
 C    2.202200      -1.533700      0.6238000    
 C   -3.851700      -1.837800     -0.3045000    
 C    2.905300     -0.3942000      0.2332000    
 H   -1.413000      -1.866900     -0.9334000    
 H   -1.418300     -0.3129000      -1.732400    
 H   -2.020300     -0.6994000       1.280300    
 H   -4.188600     -6.1799999E-02  0.6134000    
 H   0.4044000       1.265400      -1.366900    
 H   0.3133000      -2.555700      0.6115000    
 H    2.700100      -2.322000       1.181800    
 H   -3.467700      -2.213300      -1.257400    
 H   -4.937800      -1.977200     -0.3470000    
 H   -3.482000      -2.456200      0.5204000    
 H   -1.020000       2.543500       1.586200    
 H    2.327100       2.318600      -1.350400    
 H    4.549100      0.5720000      0.2086000    


%chk=000040175-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040175

0 1
O -2.269044 0.891297 1.872551
O 3.098361 1.968951 -0.421244
O -1.922170 1.827040 -0.224863
O 4.465676 -0.182050 0.475761
N -3.400673 -1.024627 -0.423152
C -1.028225 -0.867147 -1.150365
C -2.034655 -0.658745 0.010529
C 0.425541 -0.683751 -0.738095
C 1.043263 0.593678 -0.805038
C 1.185978 -1.781810 -0.261579
C -2.021770 0.802897 0.494216
C 2.379031 0.748749 -0.398359
C 2.530322 -1.623226 0.146203
C -4.420958 -1.230697 0.623261
C 3.134262 -0.354141 0.080316
H -1.199923 -1.892499 -1.523119
H -1.289469 -0.164454 -1.965135
H -1.763113 -1.305356 0.863204
H -3.724117 -0.445606 -1.208973
H 0.465776 1.454578 -1.165943
H 0.726474 -2.776132 -0.216036
H 3.122606 -2.468210 0.509401
H -4.078091 -2.022915 1.312905
H -5.354681 -1.579330 0.147846
H -4.652779 -0.331447 1.237088
H -2.324161 1.850811 2.138273
H 2.541535 2.715285 -0.748049
H 4.711105 0.772856 0.353197


