%chk=000053593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053593

0 1
 O   -4.889200       3.479800      -1.639100    
 O   -5.940100      -2.299300      0.7756000    
 O  -0.2035000      -2.793600       1.513900    
 O  -0.9166000      -2.386400     -0.5220000    
 N   -3.581300      0.3996000     -9.0400003E-02
 N  -2.2299999E-02  0.1153000      0.8486000    
 N    3.941300      0.3411000     -0.4936000    
 N   5.4000001E-03  -2.486500      0.3186000    
 C   -2.430300      0.1719000      0.7744000    
 C   -1.136300      0.3141000     -1.6600000E-02
 C    1.321200      0.1601000      0.3873000    
 C   -3.805900       1.833400     -0.2836000    
 C   -4.778900     -0.2308000      0.4683000    
 C    1.978800     -0.9855000     -7.2200000E-02
 C    1.975000       1.396300      0.4058000    
 C    3.307000     -0.8472000     -0.5095000    
 C    3.303300       1.441500     -5.0200000E-02
 C    1.346200      -2.240500     -0.1018000    
 C   -4.683800       2.080000      -1.500100    
 C   -4.771300      -1.727700      0.2028000    
 C    1.338400       2.563700      0.8624000    
 C    3.967100      -1.984100     -0.9678000    
 C    3.959500       2.669400     -3.4200002E-02
 C    2.028200      -3.361800     -0.5649000    
 C    3.341400      -3.233000     -0.9987000    
 C    2.016700       3.778900      0.8682000    
 C    3.330000       3.831300      0.4188000    
 H   -2.439800     -0.8339000       1.207800    
 H   -2.440600      0.8557000       1.635100    
 H   -1.065200       1.341400     -0.3928000    
 H   -1.121800     -0.2795000     -0.9315000    
 H   -2.872000       2.381000     -0.4532000    
 H   -4.248600       2.297800      0.6084000    
 H   -5.705000      0.1575000      3.0999999E-02
 H   -4.875100     -3.2299999E-02   1.544800    
 H  -0.1291000      0.4437000       1.805200    
 H   -5.670300       1.617400      -1.422700    
 H   -4.197600       1.712300      -2.410400    
 H   -3.910100      -2.234700      0.6453000    
 H   -4.780600      -1.931900     -0.8734000    
 H   0.3151000       2.567300       1.227500    
 H    4.996700      -1.909100      -1.313100    
 H    4.989100       2.736500     -0.3812000    
 H    1.555500      -4.340500     -0.5952000    
 H    3.883000      -4.101400      -1.362100    
 H    1.523700       4.678900       1.222400    
 H    3.868500       4.774500      0.4193000    
 H   -5.435100       3.611300      -2.433000    
 H   -5.918800      -3.251300      0.5782000    


%chk=000053593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053593

0 1
O -5.520067 2.713362 -2.223557
O -5.478173 -2.877030 0.895608
O -0.189581 -1.457862 1.846206
O -1.130718 -2.919340 0.363508
N -3.752544 0.337964 0.058868
N -0.065328 1.075307 0.532902
N 3.928044 0.344407 -0.704417
N -0.205629 -2.068538 0.705615
C -2.492049 0.505317 0.804843
C -1.288758 0.622550 -0.162607
C 1.240652 0.688903 0.340028
C -4.349347 1.594565 -0.446794
C -4.718550 -0.608155 0.669792
C 1.653763 -0.581188 -0.212595
C 2.296888 1.635657 0.662581
C 2.983344 -0.634971 -0.825264
C 3.619769 1.411290 0.106792
C 0.899981 -1.812854 -0.242143
C -4.955568 1.406274 -1.844756
C -4.431500 -2.057843 0.254522
C 2.084480 2.803646 1.466294
C 3.346760 -1.780674 -1.621326
C 4.658003 2.370473 0.367426
C 1.288139 -2.922131 -1.000387
C 2.505088 -2.882838 -1.742082
C 3.118453 3.707807 1.718929
C 4.417863 3.492643 1.156784
H -2.331362 -0.360967 1.468892
H -2.514139 1.409284 1.466274
H -1.535362 1.363019 -0.953176
H -1.124337 -0.332460 -0.678815
H -3.565839 2.371621 -0.518649
H -5.136252 1.995054 0.232379
H -5.738799 -0.349365 0.332500
H -4.724067 -0.546722 1.781131
H -0.189717 1.970069 1.011069
H -5.742823 0.623128 -1.819425
H -4.161791 1.085115 -2.550626
H -3.420002 -2.369112 0.583104
H -4.483481 -2.139410 -0.851237
H 1.115383 2.988270 1.947405
H 4.330197 -1.745086 -2.099405
H 5.638601 2.169585 -0.074229
H 0.676740 -3.827450 -0.958878
H 2.800128 -3.748195 -2.343182
H 2.937885 4.580249 2.355638
H 5.220919 4.210349 1.355846
H -5.971677 2.637838 -3.100595
H -5.221721 -3.830858 0.845606


