%chk=000052395.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052395

0 1
 O    1.918700     -0.7748000      -1.455500    
 O   -2.586700      0.8061000      -1.062000    
 O   -2.865100      6.0400002E-02   1.123700    
 N    3.634000     -0.6481000      9.3999997E-02
 N   -4.265900     -0.6251000     -0.5925000    
 N    2.121100       1.165000     -0.1788000    
 C    3.954800     -0.2655000       1.467500    
 C    4.545600      -1.600000     -0.5278000    
 C   -5.130000      -1.491000      0.1889000    
 C    5.314300      0.4192000       1.522500    
 C    3.911400      -1.481000       2.385100    
 C    5.208500     -0.9776000      -1.749700    
 C    3.811100      -2.884100     -0.8922000    
 C    2.509900     -0.1275000     -0.5886000    
 C   -5.812900     -0.6679000       1.287300    
 C   -4.285700      -2.601800      0.8222000    
 C   -6.193600      -2.106300     -0.7279000    
 C   0.8431000       1.724800     -0.1794000    
 C   -3.210700      7.4400000E-02 -5.4099999E-02
 C  -0.2460000      0.9767000     -0.6264000    
 C   -1.494900       1.556000     -0.6142000    
 C   0.6546000       3.032500      0.2680000    
 C   -1.712300       2.843800     -0.1787000    
 C  -0.6232000       3.591900      0.2683000    
 H    3.201100      0.4333000       1.843800    
 H    5.344700      -1.877100      0.1649000    
 H    5.495000      0.8177000       2.527200    
 H    6.148100     -0.2502000       1.291000    
 H    5.356200       1.260200      0.8215000    
 H    2.949600      -1.998800       2.299600    
 H    4.028700      -1.170700       3.429500    
 H    4.701100      -2.209400       2.178200    
 H    5.936100      -1.669200      -2.188000    
 H    4.481400     -0.7241000      -2.528700    
 H    5.739500     -5.7500001E-02  -1.483000    
 H    3.211500      -3.254700     -5.4099999E-02
 H    4.534200      -3.665800      -1.152000    
 H    3.153800      -2.772100      -1.759100    
 H   -5.110000     -0.2805000       2.031100    
 H   -6.544900      -1.276700       1.830900    
 H   -6.346100      0.1907000      0.8624000    
 H   -4.924500      -3.330800       1.334600    
 H   -3.711000      -3.142900      6.1299998E-02
 H   -3.574400      -2.229300       1.565500    
 H   -6.803400      -1.329000      -1.203100    
 H   -6.866300      -2.768800     -0.1722000    
 H   -5.731500      -2.692700      -1.530700    
 H   -4.442200     -0.5234000      -1.587800    
 H    2.852500       1.747700      0.2209000    
 H  -0.1665000     -4.8900001E-02 -0.9631000    
 H    1.494200       3.626800      0.6194000    
 H   -2.706600       3.279100     -0.1790000    
 H  -0.7703000       4.610100      0.6166000    


%chk=000052395-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052395

0 1
O 2.045051 -1.174082 -0.650791
O -2.463629 -0.148892 0.189675
O -4.445081 0.879687 1.053529
N 4.175030 -0.570262 0.123181
N -4.459075 -1.067971 -0.272486
N 2.280244 0.769441 0.650081
C 5.029267 0.135332 1.126614
C 4.839454 -1.540562 -0.811362
C -5.931122 -1.328553 -0.319645
C 5.878607 1.255974 0.473248
C 5.910351 -0.842862 1.943493
C 4.575320 -1.193667 -2.295663
C 4.481871 -3.011922 -0.488950
C 2.790900 -0.380300 0.007687
C -6.657836 -0.126540 -0.977650
C -6.468639 -1.567730 1.115800
C -6.114554 -2.601914 -1.179211
C 0.918385 1.118266 0.860474
C -3.872345 -0.021504 0.391588
C -0.169129 0.322398 0.427832
C -1.486183 0.750803 0.701303
C 0.661871 2.336683 1.552514
C -1.766343 1.954966 1.387671
C -0.663462 2.736110 1.803447
H 4.344836 0.592604 1.865479
H 5.923448 -1.405603 -0.635212
H 6.456601 1.805548 1.238893
H 6.597747 0.831199 -0.250738
H 5.242513 1.978279 -0.070542
H 5.292952 -1.631173 2.407235
H 6.426278 -0.286419 2.747003
H 6.686502 -1.324998 1.323519
H 5.177983 -1.857500 -2.942676
H 3.511360 -1.331855 -2.545291
H 4.859107 -0.147733 -2.512907
H 4.728203 -3.261927 0.558339
H 5.051632 -3.691869 -1.149857
H 3.404587 -3.177460 -0.646866
H -6.493804 0.790993 -0.388717
H -7.744027 -0.323619 -1.027689
H -6.284206 0.040224 -2.004082
H -7.554402 -1.770819 1.083465
H -5.963951 -2.433273 1.581750
H -6.295865 -0.678110 1.743804
H -5.729864 -2.450841 -2.205368
H -7.186381 -2.852825 -1.252476
H -5.593541 -3.467186 -0.727743
H -3.827714 -1.706929 -0.759148
H 2.947698 1.476761 0.957935
H 0.008493 -0.601525 -0.122837
H 1.497512 2.961289 1.893816
H -2.792600 2.260409 1.588679
H -0.849947 3.674561 2.337153


