%chk=000051776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051776

1 1
 O    2.216900     -0.5214000      6.6600002E-02
 O   -1.312000     -0.3232000     -0.5663000    
 O   0.9458000       1.067000      -1.019800    
 O   -2.467300      -1.342400       1.150300    
 N    5.796400      0.4177000      0.2731000    
 C    4.591100     -0.4292000      0.4585000    
 C    6.078100      0.6449000      -1.218400    
 C    7.030900     -0.2480000      0.8961000    
 C    5.606200       1.788000      0.9374000    
 C    3.388900      0.2733000     -0.1410000    
 C   -4.897600     -7.1500003E-02  0.3781000    
 C   -6.085500      0.6757000     -0.2360000    
 C   -3.609900      0.1189000     -0.4234000    
 C  -9.7800002E-02 -0.9281000     -0.1099000    
 C   -7.348700      0.4936000      0.6057000    
 C    1.056300      6.9999998E-04 -0.4285000    
 C   -2.427700     -0.6198000      0.1640000    
 C   5.6699999E-02  -2.265400     -0.8129000    
 C   -8.521100       1.269200      2.6300000E-02
 H    4.445800     -0.6097000       1.530700    
 H    4.760500      -1.401600     -1.9800000E-02
 H    6.077600     -0.3261000      -1.721900    
 H    5.327400       1.315300      -1.643300    
 H    7.062300       1.115800      -1.309500    
 H    6.841200     -0.3817000       1.965100    
 H    7.177800      -1.215400      0.4070000    
 H    7.898900      0.3987000      0.7375000    
 H    5.243200       1.631500       1.957400    
 H    6.578100       2.291700      0.9583000    
 H    4.912700       2.396200      0.3519000    
 H    3.197600       1.239800      0.3327000    
 H    3.494500      0.4091000      -1.221200    
 H   -5.132800      -1.141300      0.4430000    
 H   -4.737700      0.2747000       1.407200    
 H   -5.844700       1.743000     -0.3120000    
 H   -6.263200      0.3103000      -1.254600    
 H   -3.360000       1.185500     -0.4583000    
 H   -3.758100     -0.2432000      -1.447100    
 H  -0.1118000      -1.049900      0.9803000    
 H   -7.166000      0.8352000       1.631200    
 H   -7.610000     -0.5697000      0.6594000    
 H   0.1019000      -2.130900      -1.899700    
 H   0.9679000      -2.784000     -0.4989000    
 H  -0.7985000      -2.918100     -0.6090000    
 H   -8.303600       2.341500     -8.2000000E-03
 H   -8.750600      0.9319000     -0.9895000    
 H   -9.413700       1.123400      0.6426000    


%chk=000051776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051776

1 1
O 2.510931 -2.103514 -1.189553
O -0.952966 -1.923343 -1.845564
O 1.571373 -0.420599 -2.511528
O -0.050536 -0.920454 0.044723
N 3.139599 0.976026 0.741010
C 3.096914 -0.568363 0.622292
C 4.541235 1.505421 0.453054
C 2.759021 1.329216 2.180796
C 2.125363 1.633030 -0.201576
C 3.557494 -1.158495 -0.734126
C -2.593048 0.448004 0.570800
C -4.066081 0.821289 0.850153
C -2.473375 -0.708144 -0.443522
C 0.363793 -2.569863 -2.164585
C -4.210743 1.978764 1.864577
C 1.498069 -1.554345 -1.994007
C -1.052000 -1.166309 -0.682650
C 0.245893 -3.070176 -3.605517
C -5.683777 2.345170 2.145148
H 2.045616 -0.860204 0.790047
H 3.716953 -0.946518 1.451942
H 5.265306 0.984069 1.098403
H 4.789498 1.337139 -0.604579
H 4.565988 2.585546 0.663841
H 1.773465 0.892665 2.401997
H 3.515706 0.921861 2.868824
H 2.714624 2.424452 2.280420
H 1.117964 1.298567 0.088319
H 2.220627 2.725415 -0.102364
H 2.311888 1.316417 -1.237993
H 3.724922 -0.397041 -1.516975
H 4.459765 -1.775973 -0.623449
H -2.095356 0.159814 1.516905
H -2.055127 1.337517 0.184741
H -4.566608 1.104426 -0.098648
H -4.606271 -0.068690 1.234463
H -2.923790 -0.444398 -1.418134
H -3.045954 -1.588383 -0.083806
H 0.516619 -3.391836 -1.445021
H -3.674211 2.870866 1.480900
H -3.712391 1.696357 2.814589
H 0.109773 -2.224420 -4.298830
H 1.155481 -3.626178 -3.891915
H -0.617907 -3.748725 -3.692244
H -6.198541 2.663118 1.219390
H -6.237344 1.480830 2.556842
H -5.761450 3.171994 2.873609


