%chk=000152731.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152731

0 1
 O   -2.862900     -0.1230000     -0.2629000    
 O   0.7755000       2.749800       1.739900    
 O  -0.8624000       2.739900      0.1725000    
 O   -2.403500      -2.361200      4.0600002E-02
 O    3.615900      -1.891900      -1.163800    
 O    3.948600     -0.2187000      0.3370000    
 N  -0.1290000      0.1101000     -0.4458000    
 C   0.8746000       1.025900      9.2299998E-02
 C    1.938200       1.401700     -0.9531000    
 C  -0.7445000     -0.6656000      0.6201000    
 C    2.646700      0.2346000      -1.646200    
 C   0.1546000       2.245000      0.6409000    
 C   -2.079600      -1.182300      0.1070000    
 C   0.1288000      -1.812600       1.040200    
 C    3.470400     -0.6202000     -0.7161000    
 C   -4.160700     -0.4598000     -0.7637000    
 C   0.5847000      -1.985200       2.286500    
 C   -4.895300      0.8134000      -1.125500    
 H    1.403300      0.5553000      0.9303000    
 H    2.686300       2.048000     -0.4749000    
 H    1.468600       2.020900      -1.729600    
 H  -0.8259000      0.6373000     -0.9714000    
 H  -0.9948000     -4.2599998E-02   1.490300    
 H    1.909200     -0.3996000      -2.150600    
 H    3.325900      0.6254000      -2.412200    
 H   0.4174000      -2.538100      0.2824000    
 H   -4.056000      -1.092100      -1.652500    
 H   -4.719300      -1.003500      6.3000000E-03
 H   0.3097000       3.537800       2.092600    
 H    1.219200      -2.831300       2.526500    
 H   0.3378000      -1.291500       3.082400    
 H   -4.991800       1.464400     -0.2503000    
 H   -4.338700       1.377600      -1.881200    
 H   -5.893600      0.5925000      -1.513400    
 H    4.146500      -2.439000     -0.5462000    


%chk=000152731-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152731

0 1
O -2.835749 -0.233728 -0.453404
O 1.735787 2.806584 1.754821
O -0.562225 2.552210 1.560878
O -2.759267 -2.241906 0.721541
O 3.789446 -1.438362 -2.167009
O 3.725921 -0.518362 -0.039371
N -0.235962 0.219911 -0.072287
C 0.946495 0.975789 0.352476
C 1.753311 1.476156 -0.883621
C -0.916026 -0.590144 0.973794
C 2.189811 0.320334 -1.801834
C 0.591450 2.167165 1.262959
C -2.238585 -1.148346 0.416469
C -0.024581 -1.719841 1.458061
C 3.286105 -0.541324 -1.211123
C -4.168256 -0.623189 -1.014568
C 0.399221 -1.850475 2.736941
C -4.622682 0.524762 -1.909305
H 1.613075 0.312050 0.933608
H 2.629402 2.041410 -0.522748
H 1.122162 2.171457 -1.471563
H -0.923160 0.800348 -0.573275
H -1.212317 0.032087 1.854373
H 1.318708 -0.335152 -1.999895
H 2.539028 0.693987 -2.781615
H 0.288966 -2.435885 0.686206
H -4.044454 -1.572401 -1.566301
H -4.855569 -0.802100 -0.168412
H 1.466912 3.560077 2.348535
H 1.053687 -2.673707 3.042522
H 0.093882 -1.143543 3.519144
H -4.710321 1.461754 -1.333467
H -3.910873 0.687436 -2.736662
H -5.611503 0.289727 -2.343622
H 4.492063 -2.003378 -1.743846


