%chk=000147199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147199

0 1
 O    2.614500      9.7000003E-03  2.7300000E-02
 O  -0.2936000      -4.618200     -0.1891000    
 O    1.959400      -4.678800      0.6618000    
 O  -0.9329000      0.4555000       1.797700    
 O   -2.314900      0.6194000      -2.791300    
 O   -5.514900       1.162200      0.6975000    
 N    2.942500       2.334100     -0.1656000    
 C    2.216200       1.187400     -0.6906000    
 C   0.7223000       1.475100     -0.4832000    
 C  -0.1566000      0.3014000     -0.9471000    
 C    2.683500       2.555500       1.256900    
 C    4.392300       2.170700     -0.2665000    
 C    3.800600       3.505300       1.663400    
 C    4.922300       3.255000      0.6601000    
 C    2.605400       1.037600      -2.170100    
 C   0.4451000      -1.018400     -0.5014000    
 C    1.780700      -1.076800     -4.1800000E-02
 C   -1.595800      0.5327000     -0.5054000    
 C  -0.2974000      -2.210900     -0.5954000    
 C    2.346100      -2.285500      0.3856000    
 C   -1.903500      0.5968000      0.8520000    
 C   -2.599800      0.6793000      -1.460200    
 C   0.2896000      -3.388500     -0.1782000    
 C    1.573800      -3.423600      0.3054000    
 C   -3.221700      0.8086000       1.256400    
 C   -3.917900      0.8909000      -1.055500    
 C   -4.228700      0.9556000      0.3027000    
 C   0.7690000      -5.430800      0.3496000    
 C   -1.341100      0.5353000       3.161800    
 C   -1.982500       1.845900      -3.438400    
 C   -5.762200       1.217400       2.101500    
 H   0.4244000       2.388300      -1.016900    
 H   0.5250000       1.664400      0.5707000    
 H  -0.1086000      0.2712000      -2.041300    
 H    2.751600       1.641400       1.859500    
 H    1.725200       3.044100       1.458300    
 H    4.774300       2.334700      -1.279100    
 H    4.744600       1.194500      8.8799998E-02
 H    3.471500       4.549100       1.597400    
 H    4.129400       3.321600       2.691400    
 H    5.847100       2.943400       1.156200    
 H    5.133300       4.175800      0.1035000    
 H    2.442900       1.965500      -2.730300    
 H    3.646300      0.7196000      -2.298300    
 H    2.022500      0.2535000      -2.664500    
 H   -1.311900      -2.217400     -0.9806000    
 H    3.366000      -2.328600      0.7535000    
 H   -3.467600      0.8594000       2.306000    
 H   -4.704000       1.005000      -1.797700    
 H   0.4105000      -5.916500       1.264500    
 H    1.024900      -6.204800     -0.3830000    
 H   -2.024200     -0.2780000       3.429700    
 H   -1.741500       1.524500       3.408800    
 H  -0.4411000      0.4014000       3.771400    
 H   -1.156100       2.353000      -2.931700    
 H   -2.857100       2.503000      -3.472400    
 H   -1.676300       1.619500      -4.463400    
 H   -6.836200       1.387600       2.231400    
 H   -5.249800       2.064900       2.569800    
 H   -5.532600      0.2646000       2.590700    


%chk=000147199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147199

0 1
O 2.758284 0.019018 0.156364
O -0.452631 -4.561396 0.015183
O 1.795488 -4.750278 0.820487
O -0.906480 0.408841 1.843254
O -1.997236 0.995722 -2.769466
O -5.573839 1.368695 0.477759
N 3.202748 2.379860 -0.024308
C 2.389760 1.354387 -0.602154
C 0.887117 1.604843 -0.353156
C -0.017725 0.446145 -0.854451
C 2.987043 2.742131 1.414632
C 4.654456 2.459610 -0.351468
C 4.389023 3.146447 1.943656
C 5.182128 3.497125 0.659481
C 2.731456 1.095981 -2.079324
C 0.521933 -0.917733 -0.404985
C 1.861060 -1.053679 0.063046
C -1.473252 0.687430 -0.455419
C -0.310232 -2.071914 -0.478000
C 2.383424 -2.312205 0.488662
C -1.911986 0.657941 0.894952
C -2.464133 0.965342 -1.440772
C 0.211918 -3.295817 -0.068705
C 1.532732 -3.410501 0.411643
C -3.264881 0.871416 1.264881
C -3.818511 1.188606 -1.110075
C -4.206517 1.135833 0.246054
C 0.642180 -5.521420 0.285164
C -1.298225 0.182551 3.234138
C -2.973849 1.239800 -3.831789
C -6.043399 1.327355 1.862773
H 0.599677 2.540543 -0.866226
H 0.722671 1.741915 0.727245
H -0.009314 0.465189 -1.960509
H 2.582453 1.882175 1.981873
H 2.269399 3.581814 1.495557
H 4.807576 2.783220 -1.396261
H 5.167318 1.482320 -0.209441
H 4.342276 3.982433 2.662541
H 4.864308 2.286280 2.449941
H 6.275710 3.433978 0.793990
H 4.929765 4.517817 0.317362
H 2.535398 2.000591 -2.682390
H 3.789902 0.810663 -2.190508
H 2.123618 0.267861 -2.476807
H -1.343970 -1.982579 -0.824470
H 3.411216 -2.383137 0.850411
H -3.565749 0.838410 2.313494
H -4.584560 1.398556 -1.858720
H 0.309937 -6.242155 1.047067
H 0.947648 -6.004267 -0.665288
H -2.015336 -0.656553 3.317860
H -1.734327 1.094895 3.687563
H -0.363665 -0.077372 3.752743
H -3.447786 2.234394 -3.722066
H -3.755941 0.456410 -3.847244
H -2.394573 1.205353 -4.766420
H -7.122986 1.530631 1.806598
H -5.550425 2.104261 2.479823
H -5.875792 0.330818 2.316525


