%chk=000090615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090615

0 1
 O    1.971600       3.636600      0.5516000    
 O    2.554500      -1.543100      -2.096600    
 O   -4.208400      0.1317000     -0.4042000    
 O   -2.786000       1.434100      -1.453000    
 N    1.744300     -4.8000002E-03  0.1201000    
 N   -3.035200      0.5026000     -0.6501000    
 C    2.042900       1.368300     -0.2352000    
 C    2.829500     -0.9608000      0.2175000    
 C   0.4167000     -0.4024000      0.3811000    
 C    1.641200       2.297500      0.8976000    
 C    2.623200      -2.084800     -0.7835000    
 C  -0.6429000      0.2417000     -0.2576000    
 C   0.1633000      -1.440400       1.278000    
 C   -1.956000     -0.1520000      6.0000003E-04
 C   -1.149500      -1.834100       1.536200    
 C   -2.209200      -1.190000      0.8974000    
 H    1.568600       1.659700      -1.179800    
 H    3.114900       1.505800     -0.4279000    
 H    2.934600      -1.351900       1.235100    
 H    3.785300     -0.4715000     -7.7000000E-03
 H    2.181700       2.045300       1.816300    
 H   0.5724000       2.270500       1.125900    
 H    1.712700      -2.663000     -0.6086000    
 H    3.465400      -2.783800     -0.7470000    
 H  -0.4516000       1.035900     -0.9726000    
 H   0.9552000      -1.956600       1.811200    
 H   -1.347100      -2.639500       2.237700    
 H   -3.218900      -1.523100       1.123700    
 H    1.470500       3.863400     -0.2503000    
 H    3.381700      -1.058300      -2.258700    


%chk=000090615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090615

0 1
O 2.331325 3.624568 -0.239814
O 3.598720 -1.313588 -1.822303
O -4.500240 0.420020 0.208271
O -3.003175 1.999407 -0.465499
N 1.555216 -0.078996 0.136232
N -3.293427 0.827779 -0.000132
C 1.840464 1.205518 -0.533646
C 2.706401 -0.924311 0.490349
C 0.241984 -0.506618 0.361881
C 1.881848 2.406101 0.445475
C 3.099905 -1.953072 -0.596415
C -0.865891 0.348178 0.075073
C -0.055816 -1.807602 0.890770
C -2.175942 -0.102559 0.311730
C -1.383627 -2.217498 1.122970
C -2.478784 -1.376523 0.837437
H 1.099013 1.387883 -1.335746
H 2.817615 1.130778 -1.038757
H 2.505211 -1.457908 1.439521
H 3.572017 -0.262793 0.689024
H 2.637565 2.229833 1.229498
H 0.899925 2.553086 0.939831
H 2.217105 -2.525586 -0.923116
H 3.849197 -2.660926 -0.178644
H -0.741882 1.357477 -0.319916
H 0.748707 -2.513037 1.114640
H -1.564338 -3.219172 1.527398
H -3.515221 -1.675003 1.004154
H 1.607994 3.962433 -0.825542
H 4.493531 -0.924870 -1.647524


