%chk=000227173.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227173

0 1
 O   -1.185700      -3.310300       2.521600    
 O   0.1362000       1.593600      0.1066000    
 O   0.3581000     -0.6574000      -2.200400    
 N   -1.922000     -0.7358000       1.548400    
 N    1.487200      -1.285400      0.9733000    
 C  -0.2411000      -2.243900       2.436100    
 C  -0.9558000     -0.9064000       2.620000    
 C   0.4865000      -2.350000       1.097700    
 C   -2.235600      0.4493000       1.142000    
 C    2.181600      -1.190700     -0.1034000    
 C   -1.648400       1.729300       1.723100    
 C    2.046700      -2.124800      -1.299400    
 C   -3.237900      0.5724000      3.7900001E-02
 C    3.191900     -8.9699998E-02 -0.1806000    
 C   -4.234000     -0.3928000     -0.1108000    
 C    3.807900      0.3746000      0.9818000    
 C   -3.175900       1.652000     -0.8432000    
 C    3.517300      0.4732000      -1.414800    
 C  -0.3640000       2.186200       1.061500    
 C    1.006600      -1.696400      -2.314800    
 C   -5.168100     -0.2781000      -1.140400    
 C    4.749300       1.401300      0.9097000    
 C   -4.110000       1.766800      -1.872700    
 C    4.458800       1.499800      -1.486800    
 C   -5.106000      0.8017000      -2.021300    
 C    5.074700       1.963800     -0.3246000    
 C   0.2830000       3.416800       1.640000    
 C   0.7989000      -2.619300      -3.486400    
 H   0.4733000      -2.370600       3.258400    
 H  -0.1987000     -0.1180000       2.660600    
 H   -1.494500     -0.9146000       3.574600    
 H   0.9747000      -3.331900       1.057500    
 H  -0.2351000      -2.318000      0.2726000    
 H   -1.479700       1.611900       2.797800    
 H   -2.381700       2.538000       1.622300    
 H    1.807900      -3.137100     -0.9622000    
 H    3.012100      -2.194700      -1.813600    
 H  -0.6933000      -4.145800       2.451400    
 H   -4.306700      -1.238800      0.5676000    
 H    3.576000     -5.2499998E-02   1.953800    
 H   -2.410300       2.417000     -0.7668000    
 H    3.052600      0.1466000      -2.339200    
 H   -5.944800      -1.028500      -1.255500    
 H    5.230000       1.762100       1.814300    
 H   -4.060700       2.606100      -2.560400    
 H    4.710700       1.939800      -2.447200    
 H   -5.833100      0.8909000      -2.823100    
 H    5.807500       2.763500     -0.3806000    
 H   0.5459000       3.235000       2.684900    
 H  -0.4050000       4.262300       1.564200    
 H    1.194100       3.650700       1.082100    
 H   0.4590000      -3.594200      -3.128600    
 H    1.735300      -2.725000      -4.039700    
 H   3.9500002E-02  -2.202800      -4.153900    


%chk=000227173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227173

0 1
O -0.802280 -1.299316 3.077285
O -4.700222 2.539777 2.973986
O 1.997588 -2.349905 -3.652261
N -0.961267 0.629538 0.834383
N 2.166800 -1.216098 0.780351
C 0.403347 -0.773468 2.410800
C 0.041668 0.641740 1.913956
C 0.870536 -1.712711 1.276181
C -2.243130 0.807730 1.053125
C 2.720342 -1.658560 -0.322385
C -2.894383 0.987410 2.435312
C 2.090850 -2.725153 -1.240165
C -3.158277 0.837643 -0.137819
C 4.056778 -1.101723 -0.712057
C -2.607661 0.922795 -1.447942
C 4.717430 -0.192356 0.162638
C -4.573822 0.799130 0.000476
C 4.691478 -1.454541 -1.935433
C -3.485101 2.385912 2.679531
C 1.473585 -2.131622 -2.528291
C -3.440208 0.950828 -2.582658
C 5.974251 0.344653 -0.172865
C -5.408140 0.823905 -1.139442
C 5.951979 -0.911362 -2.270186
C -4.848063 0.896013 -2.434290
C 6.599593 -0.013282 -1.393142
C -2.528442 3.564149 2.560322
C 0.213677 -1.301429 -2.365757
H 1.237073 -0.669296 3.137560
H 0.970932 1.072195 1.497758
H -0.248506 1.240903 2.803195
H 0.995146 -2.739127 1.691384
H 0.075222 -1.752792 0.506082
H -2.150911 0.761624 3.218742
H -3.704996 0.249493 2.558426
H 1.291465 -3.250508 -0.687022
H 2.850212 -3.466067 -1.539542
H -0.611492 -2.199042 3.444635
H -1.519706 0.980903 -1.543124
H 4.218482 0.071777 1.099712
H -5.038514 0.756537 0.990000
H 4.204765 -2.133105 -2.642839
H -2.997720 1.023292 -3.582641
H 6.470737 1.040794 0.512574
H -6.495851 0.792292 -1.013095
H 6.424206 -1.188734 -3.218929
H -5.497944 0.918622 -3.316302
H 7.578432 0.404163 -1.654900
H -2.176067 3.657803 1.515297
H -1.630986 3.407161 3.188361
H -3.033294 4.495940 2.857366
H 0.307805 -0.568464 -1.543750
H -0.638637 -1.958711 -2.101890
H -0.023559 -0.786149 -3.309312


