%chk=000147798.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147798

0 1
 O    2.831400      -2.092700      0.6673000    
 O   -2.265700      -1.746600      0.2896000    
 O    1.621300      0.4094000      0.6786000    
 O   -1.690400      0.9522000     -4.2800002E-02
 N    7.233900       2.425600     -0.6263000    
 N   -7.760500       1.599700      1.0500000E-02
 N    5.290900       3.694900     -0.3528000    
 N   -6.150000       3.276600     -0.2255000    
 C   0.2698000      -2.902700     -0.5258000    
 C    1.471200      -3.827700     -0.3103000    
 C   -1.046100      -3.673800     -0.4400000    
 C    2.794600      -3.073900     -0.3588000    
 C   -2.244300      -2.770500     -0.6952000    
 C    3.566000     -0.9623000      0.4171000    
 C   -3.276200     -0.8245000      0.2016000    
 C    2.953900      0.2859000      0.4237000    
 C   -2.981200      0.5241000      3.6200002E-02
 C    4.926600      -1.082900      0.1569000    
 C   -4.595800      -1.256400      0.2810000    
 C    3.711900       1.428400      0.1669000    
 C   -4.018600       1.452600     -5.1199999E-02
 C    5.077200       1.315200     -9.5299996E-02
 C   -5.344400       1.026800      2.8000001E-02
 C    5.684600      5.9599999E-02 -0.1003000    
 C   -5.633100     -0.3278000      0.1942000    
 C    5.867800       2.506200     -0.3623000    
 C   -6.426000       1.994500     -6.3900001E-02
 C    1.235300      0.5831000       2.040500    
 C   -1.103900       1.007200      -1.341600    
 H   0.2778000      -2.107100      0.2274000    
 H   0.3533000      -2.419700      -1.506800    
 H    1.371900      -4.310200      0.6698000    
 H    1.475400      -4.618000      -1.069800    
 H   -1.048900      -4.492600      -1.168500    
 H   -1.133000      -4.117400      0.5594000    
 H    3.619500      -3.778200     -0.2025000    
 H    2.915000      -2.616000      -1.349400    
 H   -3.153300      -3.379600     -0.6424000    
 H   -2.179500      -2.325000      -1.695300    
 H    5.413100      -2.054300      0.1586000    
 H   -4.839000      -2.304600      0.4288000    
 H    3.213500       2.394600      0.1758000    
 H   -3.766000       2.502200     -0.1797000    
 H    6.741400     -8.4899999E-02 -0.2957000    
 H   -6.644600     -0.7119000      0.2657000    
 H    1.633700       1.524100       2.432700    
 H    1.583400     -0.2561000       2.651000    
 H   0.1438000      0.6181000       2.088100    
 H   -1.731900       1.582300      -2.029700    
 H  -0.9480000     -2.9000000E-03  -1.731400    
 H  -0.1340000       1.504900      -1.260400    
 H    7.753700       1.557300     -0.6527000    
 H    7.768900       3.268400     -0.8087000    
 H   -8.059700      0.6403000      0.1321000    
 H   -8.501300       2.290000     -5.7200000E-02
 H    6.005600       4.401400     -0.5590000    
 H   -7.035300       3.793600     -0.2692000    


%chk=000147798-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147798

0 1
O 2.602370 -1.621578 0.382041
O -2.424709 -1.571399 0.095870
O 2.283325 0.936437 1.497826
O -2.448620 1.050132 1.181357
N 7.171147 2.474417 -1.799299
N -8.140362 1.367233 -0.950417
N 6.443503 3.552819 0.245045
N -6.676439 3.248055 -0.517356
C 0.117223 -3.001564 -0.482558
C 1.397600 -3.684013 0.046293
C -1.172971 -3.643313 0.069766
C 2.672854 -2.919102 -0.320829
C -2.452017 -2.955691 -0.416024
C 3.590840 -0.665567 0.113047
C -3.531430 -0.751021 -0.169620
C 3.414339 0.619956 0.719264
C -3.499929 0.571874 0.381776
C 4.717421 -0.892468 -0.711330
C -4.658740 -1.159855 -0.920973
C 4.339679 1.643133 0.459822
C -4.606555 1.419640 0.201932
C 5.455743 1.430051 -0.389244
C -5.752178 1.002929 -0.521546
C 5.639634 0.147809 -0.961366
C -5.759483 -0.292381 -1.093945
C 6.399145 2.568213 -0.632435
C -6.899618 1.955391 -0.663034
C 2.092925 0.150510 2.736421
C -1.088441 1.042679 0.597099
H 0.139532 -1.935252 -0.199157
H 0.107041 -3.039415 -1.592129
H 1.347722 -3.772697 1.149421
H 1.482852 -4.714270 -0.355665
H -1.228544 -4.711017 -0.227845
H -1.157352 -3.616383 1.176701
H 3.580836 -3.465769 0.006482
H 2.733534 -2.740507 -1.414724
H -3.353102 -3.472267 -0.026204
H -2.499514 -2.938599 -1.525583
H 4.885857 -1.875634 -1.160412
H -4.688651 -2.154515 -1.375042
H 4.204081 2.625134 0.921171
H -4.583261 2.428069 0.623713
H 6.525573 -0.071737 -1.567899
H -6.596228 -0.624347 -1.718943
H 2.949364 0.305722 3.420449
H 1.972077 -0.922397 2.510488
H 1.174334 0.550166 3.192394
H -1.076694 1.603950 -0.356736
H -0.729525 0.013809 0.435721
H -0.449309 1.552982 1.331389
H 6.946384 1.800620 -2.527811
H 7.866733 3.187480 -2.008084
H -8.283496 0.364499 -0.854279
H -8.957610 1.953353 -1.106463
H 7.096126 4.318221 -0.024318
H -7.539314 3.826373 -0.593218


