%chk=000043793.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043793

0 1
 O   -3.538300       2.629600     -0.5031000    
 O    6.700800       1.192500       1.296200    
 O   -1.278600       2.436500     -0.5907000    
 O   -6.830300      -1.756700      0.6035000    
 O   -6.930200      0.3910000      0.1602000    
 N  -0.4609000     -0.4944000     -2.0700000E-02
 N    2.412200     -0.4744000     -0.1888000    
 N   -2.360200       1.835700     -0.4030000    
 N   -4.628100       1.807300     -0.2681000    
 N   -6.265500     -0.6623000      0.3429000    
 C   0.3637000     -0.8789000       1.124600    
 C   0.2191000     -9.9299997E-02  -1.254200    
 C    1.729000     -0.1878000       1.072600    
 C    1.590800     -0.7712000      -1.362200    
 C   -1.850900     -0.5052000      6.0199998E-02
 C    3.802200     -0.4656000     -0.2699000    
 C   -2.718700      0.5862000     -0.1199000    
 C   -2.597900      -1.680600      0.3496000    
 C   -4.160600      0.5725000     -3.5000000E-02
 C    4.583400      0.3695000      0.5631000    
 C    4.491100      -1.291700      -1.188900    
 C   -4.020700      -1.735000      0.4418000    
 C   -4.857300     -0.6151000      0.2543000    
 C    5.976000      0.3781000      0.4814000    
 C    5.883500      -1.283100      -1.270500    
 C    6.625900     -0.4484000     -0.4352000    
 C    8.120400       1.150900       1.159700    
 H   0.4928000      -1.968200       1.124300    
 H  -0.1334000     -0.6043000       2.063000    
 H   0.3772000      0.9810000      -1.276300    
 H  -0.3814000     -0.3718000      -2.130400    
 H    1.602900      0.8970000       1.177200    
 H    2.317800     -0.5435000       1.927100    
 H    1.468100      -1.857600      -1.452500    
 H    2.071600     -0.4089000      -2.279300    
 H   -2.054400      -2.613100      0.5111000    
 H    4.103600       1.034200       1.278800    
 H    3.945300      -1.964700      -1.846300    
 H   -4.459600      -2.706400      0.6698000    
 H    6.389200      -1.929000      -1.982500    
 H    7.703400     -0.4925000     -0.5508000    
 H    8.439100       1.484100      0.1662000    
 H    8.520400      0.1636000       1.414700    
 H    8.535600       1.860300       1.883100    


%chk=000043793-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043793

0 1
O -4.142919 1.974011 -1.825453
O 6.848426 0.414953 1.598360
O -1.770840 2.533477 -1.444162
O -6.389012 -2.387005 1.061170
O -6.896584 -0.868334 -0.579805
N -0.504582 0.079762 0.201207
N 2.390492 -0.191381 -0.154100
N -2.694168 1.693006 -1.227550
N -5.007175 0.981704 -1.345053
N -6.068240 -1.426188 0.244865
C 0.383283 -0.461292 1.262108
C 0.192301 0.535540 -1.037377
C 1.798988 0.130286 1.152489
C 1.459587 -0.308660 -1.287683
C -1.860890 -0.191056 0.261688
C 3.781405 -0.318114 -0.326547
C -2.848817 0.526821 -0.528354
C -2.392670 -1.189342 1.123320
C -4.255258 0.143796 -0.568967
C 4.682353 0.102913 0.689227
C 4.320588 -0.878027 -1.528746
C -3.758572 -1.557614 1.104084
C -4.692629 -0.951986 0.254194
C 6.077569 -0.041817 0.514837
C 5.713022 -0.999001 -1.682761
C 6.616548 -0.591900 -0.674278
C 8.305117 0.325434 1.476561
H 0.450407 -1.567724 1.188364
H -0.044054 -0.209398 2.249986
H 0.462052 1.602528 -0.960074
H -0.484209 0.422085 -1.899213
H 1.766472 1.225297 1.345708
H 2.410170 -0.324677 1.953515
H 1.175771 -1.364784 -1.492768
H 1.938729 0.087057 -2.202920
H -1.721042 -1.750809 1.774693
H 4.340388 0.581329 1.610509
H 3.661263 -1.245901 -2.319783
H -4.116999 -2.371574 1.741473
H 6.108375 -1.435679 -2.607095
H 7.693426 -0.704963 -0.821163
H 8.676004 0.925424 0.622844
H 8.636388 -0.725066 1.361828
H 8.697637 0.737170 2.417920


