%chk=000051563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051563

0 1
 O   -1.223600       1.190300      0.6664000    
 O   -1.890900       1.249600      -1.614200    
 O    2.015800       2.470100      -2.679200    
 N    4.249200      0.8678000       2.042700    
 N    3.727300      -3.209900     -0.2343000    
 N   0.8994000      0.4067000      -1.213500    
 N    4.010700      -1.182000      0.9185000    
 N    2.297900      -1.416100     -0.7456000    
 N    2.564700      0.6661000      0.4167000    
 C   0.4254000       1.772100      -1.039600    
 C  -4.1600000E-02   1.951300      0.4122000    
 C  -0.7477000       2.014200      -2.000600    
 C    4.585200       2.270100       1.764200    
 C    3.544700       1.932400       2.768700    
 C    2.730400      -4.274300     -0.4081000    
 C    3.565000      -3.832400      -1.554500    
 C    1.585800       2.717600      -1.354700    
 C   -2.260600       1.521500     -0.2603000    
 C    3.574800      7.8100003E-02   1.077800    
 C    3.325400      -1.869300     -9.3999999E-03
 C    1.948500     -0.1284000     -0.4954000    
 C   -3.471000      0.6837000      7.1500003E-02
 C   -3.396400     -0.7096000      1.3400000E-02
 C   -4.669500       1.299600      0.4379000    
 C   -4.515500      -1.483500      0.3205000    
 C   -5.711600     -0.8658000      0.6864000    
 C   -5.788500      0.5256000      0.7449000    
 C   -4.410300      -2.971600      0.2490000    
 C   -6.923000      -1.673700       1.018900    
 H   0.6770000       1.676000       1.180800    
 H  -0.2788000       3.007300      0.5999000    
 H   -1.032200       3.073600      -2.022800    
 H  -0.4969000       1.722300      -3.026600    
 H    5.571900       2.538400       2.112600    
 H    4.291600       2.639100      0.7939000    
 H    2.505300       2.080500       2.524100    
 H    3.808800       1.966600       3.815900    
 H    2.999000      -5.184700      0.1073000    
 H    1.698100      -3.962500     -0.3527000    
 H    4.415100      -4.436100      -1.837300    
 H    3.124400      -3.217100      -2.324400    
 H   0.4402000     -0.1996000      -1.883300    
 H    1.239800       3.757300      -1.315500    
 H    2.447600       2.668900     -0.6904000    
 H   -2.508400       2.587000     -0.1605000    
 H    2.353500       1.559300      -2.716200    
 H   -2.462300      -1.188000     -0.2724000    
 H   -4.745300       2.382500      0.4882000    
 H   -6.712400       1.022900       1.028000    
 H   -5.111700      -3.372800     -0.4897000    
 H   -4.614400      -3.420300       1.226600    
 H   -3.406900      -3.293900     -5.0400000E-02
 H   -7.229300      -2.280700      0.1609000    
 H   -7.774400      -1.037500       1.284600    
 H   -6.728000      -2.326300       1.876100    


%chk=000051563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051563

0 1
O -1.443904 1.470627 0.694329
O -2.032039 1.614822 -1.652967
O 1.827678 3.378344 -2.534855
N 4.182420 0.783404 1.950870
N 2.961817 -3.032687 -0.514642
N 0.719247 1.005080 -1.254063
N 3.614255 -1.153343 0.742541
N 1.753503 -1.040452 -0.837282
N 2.497263 0.978922 0.320367
C 0.218874 2.363488 -0.931299
C -0.334809 2.429877 0.518775
C -0.975657 2.618714 -1.887030
C 5.640273 0.659941 2.143168
C 4.982255 2.020932 1.841887
C 3.090358 -4.177855 0.408023
C 1.943501 -4.094588 -0.619452
C 1.316265 3.433994 -1.161415
C -2.528157 1.717277 -0.258090
C 3.419500 0.184524 0.956432
C 2.754815 -1.701941 -0.180745
C 1.684303 0.306400 -0.558408
C -3.598550 0.678340 -0.059690
C -3.249247 -0.689641 0.033793
C -4.957397 1.051066 0.005128
C -4.233218 -1.691957 0.186629
C -5.611683 -1.313800 0.247751
C -5.949713 0.058092 0.157372
C -3.826223 -3.151507 0.284441
C -6.698539 -2.361517 0.407787
H 0.431618 2.135553 1.250473
H -0.687695 3.462876 0.736073
H -1.370928 3.642728 -1.715984
H -0.680839 2.514835 -2.942236
H 5.971271 0.430322 3.160577
H 6.211687 0.175138 1.342990
H 5.120963 2.445492 0.840276
H 4.850361 2.750851 2.646568
H 3.936146 -4.847902 0.226065
H 2.850024 -4.001043 1.463048
H 1.980536 -4.706879 -1.525747
H 0.937290 -3.863470 -0.250146
H 0.061338 0.401157 -1.759548
H 0.886722 4.445405 -1.055439
H 2.126795 3.289491 -0.423907
H -2.906862 2.757936 -0.115241
H 2.143712 2.450074 -2.690828
H -2.190169 -0.967003 -0.002810
H -5.244164 2.107333 -0.066266
H -7.005180 0.351018 0.207001
H -4.282841 -3.757185 -0.522235
H -4.150592 -3.602350 1.242474
H -2.731241 -3.263942 0.212046
H -6.685079 -3.091176 -0.424847
H -7.699302 -1.897902 0.434478
H -6.569457 -2.943513 1.340809


