%chk=000011059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011059

0 1
 O   -1.268200      0.2475000      0.4573000    
 O  -3.6899999E-02   1.041900      -1.328700    
 N   -4.915700      0.3211000     -8.2400002E-02
 C    1.057800      0.2688000      0.6669000    
 C    2.254300       1.148200      0.3478000    
 C    1.619400      -1.119600      0.4152000    
 C    3.357800      0.3557000     -4.2500000E-02
 C    2.967800      -1.037500     -7.9999998E-04
 C  -0.1197000      0.5726000     -0.2017000    
 C    2.339100       2.530300      0.3894000    
 C   0.9753000      -2.340200      0.5343000    
 C    4.562400      0.9462000     -0.3873000    
 C    3.686000      -2.185300     -0.2932000    
 C   -3.657000      7.5999998E-02  0.6058000    
 C   -2.480500      0.4895000     -0.2639000    
 C    3.553500       3.124700      4.1900001E-02
 C    1.699900      -3.496500      0.2399000    
 C    4.654400       2.340400     -0.3419000    
 C    3.042000      -3.419900     -0.1688000    
 C   -6.051200     -3.7799999E-02  0.7708000    
 C   -4.972900     -0.4268000      -1.340700    
 C   -6.014400      0.7258000       2.083700    
 C   -6.253000     -0.1251000      -2.101100    
 H   0.8122000      0.3938000       1.728100    
 H    1.491300       3.138400      0.6851000    
 H  -5.9999999E-02  -2.404600      0.8504000    
 H    5.420500      0.3545000     -0.6882000    
 H    4.721800      -2.142400     -0.6128000    
 H   -3.547600     -0.9760000      0.9024000    
 H   -3.569600      0.6646000       1.525600    
 H   -2.543100       1.553900     -0.5205000    
 H   -2.408200     -0.1058000      -1.177700    
 H    3.650100       4.206900      6.7500003E-02
 H    1.221600      -4.468400      0.3270000    
 H   -6.086600      -1.115700      0.9732000    
 H   -6.995700      0.2415000      0.2928000    
 H   -4.876900      -1.508300      -1.182300    
 H   -4.177400     -0.1182000      -2.023700    
 H    5.589500       2.826000     -0.6085000    
 H    3.585500      -4.334200     -0.3929000    
 H   -5.261800      0.3348000       2.775300    
 H   -5.837600       1.795700       1.928500    
 H   -6.981100      0.6271000       2.590800    
 H   -7.126800     -0.6151000      -1.660900    
 H   -6.443200      0.9518000      -2.166500    
 H   -6.169200     -0.5036000      -3.126400    


%chk=000011059-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011059

0 1
O -1.238268 0.387610 0.600735
O -0.193620 1.707748 -1.013300
N -4.902407 -0.109462 -0.030717
C 1.147700 0.511797 0.719550
C 2.408599 1.287788 0.352436
C 1.539240 -0.941145 0.395799
C 3.428043 0.390995 -0.083358
C 2.890445 -0.983017 -0.061256
C -0.119393 0.959892 -0.017429
C 2.644717 2.670245 0.412400
C 0.778426 -2.114974 0.516964
C 4.700565 0.879460 -0.451609
C 3.487357 -2.217520 -0.398279
C -3.563399 -0.318784 0.571106
C -2.566471 0.685462 -0.020098
C 3.921620 3.160885 0.041204
C 1.380848 -3.352903 0.176138
C 4.940148 2.271632 -0.384127
C 2.722699 -3.401599 -0.276596
C -6.021413 -0.305665 0.928937
C -5.081222 -0.851803 -1.309517
C -6.162706 0.857628 1.928911
C -6.109667 -0.195648 -2.250081
H 0.927702 0.596489 1.802824
H 1.856785 3.363882 0.724834
H -0.258389 -2.071109 0.865900
H 5.490352 0.197908 -0.786811
H 4.524607 -2.263031 -0.748548
H -3.181401 -1.355963 0.415738
H -3.620462 -0.160256 1.662205
H -2.851345 1.722130 0.228760
H -2.476760 0.600468 -1.117363
H 4.122678 4.237254 0.077814
H 0.804372 -4.280603 0.264058
H -5.918767 -1.272682 1.483734
H -6.955086 -0.379606 0.342938
H -5.364481 -1.918540 -1.121648
H -4.102396 -0.877286 -1.824172
H 5.921005 2.669656 -0.667628
H 3.171452 -4.367300 -0.535281
H -5.258795 0.976542 2.554014
H -6.328715 1.805000 1.387351
H -7.017306 0.681596 2.608604
H -7.118974 -0.162325 -1.801352
H -5.806257 0.839997 -2.481610
H -6.183762 -0.764144 -3.195873


