%chk=000153916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153916

0 1
 O    4.019300      -3.018800     -0.1153000    
 O    6.478300      0.4932000      0.4471000    
 N   -2.281600      -1.870700      0.2207000    
 N    3.059700     -0.3950000     -0.6264000    
 C    4.478400     -0.6244000     -0.3979000    
 C   -1.897100      0.3314000      6.6399999E-02
 C   -1.295100     -0.9169000      0.2550000    
 C   0.8890000      4.0500000E-02  0.4360000    
 C   -1.045700       1.490600      6.5399997E-02
 C    2.357400     -0.1884000      0.6377000    
 C   0.3544000       1.318000      0.2534000    
 C   -3.315100      7.9899997E-02 -8.5199997E-02
 C   7.8100003E-02  -1.091900      0.4402000    
 C   -3.510300      -1.299700      1.7100001E-02
 C    4.633200      -1.882100      0.4808000    
 C    5.075000      0.6340000      0.2615000    
 C    5.146900     -0.8370000      -1.764700    
 C   -1.540000       2.801200     -0.1149000    
 C    1.198000       2.440100      0.2551000    
 C   -4.461500      0.8803000     -0.2999000    
 C   -2.054900      -3.294400      0.3795000    
 C   -4.767000      -1.910300     -8.2000002E-02
 C  -0.6815000       3.902500     -0.1092000    
 C   0.6837000       3.722700      7.5300001E-02
 C   -5.726400      0.2862000     -0.4016000    
 C   -5.875300      -1.090900     -0.2939000    
 H    2.750700      0.6100000       1.267900    
 H    2.421500      -1.076400       1.275900    
 H   0.5013000      -2.081400      0.5839000    
 H    2.933900      0.4233000      -1.222600    
 H    4.279900      -1.770100       1.510000    
 H    5.696900      -2.132100      0.5707000    
 H    4.914500       1.523700     -0.3582000    
 H    4.680100      0.8460000       1.257100    
 H    4.683000      -1.662800      -2.317400    
 H    6.210600      -1.077200      -1.656300    
 H    5.071500      5.8600001E-02  -2.393000    
 H   -2.594900       2.995900     -0.2628000    
 H    2.274900       2.373500      0.3731000    
 H   -4.395400       1.958700     -0.3905000    
 H   -1.102700      -3.566200     -8.2099997E-02
 H   -2.042600      -3.517200       1.449300    
 H   -2.843200      -3.860500     -0.1203000    
 H   -4.896400      -2.983500      6.6999998E-03
 H   -1.082900       4.901900     -0.2507000    
 H    1.349800       4.580600      7.4500002E-02
 H   -6.599700      0.9119000     -0.5663000    
 H   -6.864000      -1.534700     -0.3738000    
 H    3.079200      -2.808400     -0.2452000    
 H    6.621700     -0.1812000       1.132100    


%chk=000153916-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153916

0 1
O 3.308069 -2.709298 -0.584143
O 6.813265 -0.334468 0.714499
N -2.235125 -1.919548 0.411270
N 3.130734 -0.117494 -0.370610
C 4.550748 -0.583702 -0.361857
C -1.914902 0.347993 0.069483
C -1.286156 -0.885834 0.416306
C 0.895640 0.161301 0.647311
C -1.113356 1.541204 -0.003917
C 2.388928 0.032303 0.915717
C 0.310255 1.441842 0.287418
C -3.327114 0.047321 -0.143524
C 0.099954 -0.985102 0.708828
C -3.486581 -1.370439 0.085197
C 4.492906 -2.110924 0.015677
C 5.439435 0.194925 0.647286
C 5.104564 -0.419218 -1.793609
C -1.650940 2.822001 -0.354974
C 1.108918 2.630774 0.202553
C -4.476071 0.802414 -0.498348
C -1.971204 -3.323118 0.725798
C -4.735054 -2.019689 -0.024594
C -0.841345 3.959680 -0.426818
C 0.553381 3.865383 -0.145978
C -5.724526 0.158700 -0.614627
C -5.853787 -1.238530 -0.379493
H 2.749060 0.885880 1.529145
H 2.571490 -0.881960 1.508007
H 0.554461 -1.945864 0.974362
H 2.952011 0.648981 -1.029674
H 4.468713 -2.232807 1.124625
H 5.383648 -2.634882 -0.375442
H 5.565680 1.239807 0.314137
H 4.977300 0.193948 1.656412
H 4.599258 -1.114884 -2.486605
H 6.187387 -0.629481 -1.798911
H 4.957729 0.615252 -2.160640
H -2.716740 2.913183 -0.574749
H 2.180105 2.578339 0.426348
H -4.414394 1.878065 -0.683652
H -0.966566 -3.608263 0.371478
H -2.034706 -3.521672 1.812892
H -2.703327 -3.963389 0.207156
H -4.844487 -3.092626 0.164566
H -1.278944 4.926437 -0.699142
H 1.184713 4.758877 -0.201051
H -6.610337 0.742167 -0.887941
H -6.836449 -1.714142 -0.472241
H 2.736746 -1.892991 -0.789946
H 6.804614 -1.203950 1.188213


