%chk=000052752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052752

0 1
 O   -1.132000       1.803000      0.3089000    
 O    1.089900       1.671800     -0.5758000    
 O   -3.015000     -0.3085000       2.073400    
 O    2.714500     -0.8937000      -1.951700    
 O   -1.764300      -1.482000      0.6902000    
 O    1.716500      -1.603500     -0.1201000    
 N   -2.543900     -0.5570000      0.9554000    
 N    2.427600     -0.8091000     -0.7500000    
 C   -2.965200      0.3143000     -0.1693000    
 C    3.001800      0.3301000      7.7999998E-03
 C   -3.645300     -0.5652000      -1.218000    
 C    3.853200     -0.2393000       1.142100    
 C   -1.709100      0.9892000     -0.7070000    
 C    1.831900       1.159600      0.5232000    
 C   1.4800000E-02   2.512200     -0.1568000    
 C   -4.904600      -1.249200     -0.6980000    
 C    5.029200      -1.072700      0.6457000    
 H   -3.658100       1.059000      0.2400000    
 H    3.608500      0.9136000     -0.6950000    
 H   -3.926600      6.2600002E-02  -2.072800    
 H   -2.960800      -1.328200      -1.609800    
 H    4.252100      0.5944000       1.733600    
 H    3.252500     -0.8453000       1.832200    
 H   -1.980300       1.624500      -1.559100    
 H  -0.9746000      0.2531000      -1.056400    
 H    2.223700       1.998600       1.111300    
 H    1.168100      0.5743000       1.172100    
 H   0.3463000       3.193700      0.6347000    
 H  -0.2756000       3.134900      -1.010500    
 H   -4.678000      -1.983800      8.0399998E-02
 H   -5.405500      -1.778900      -1.514900    
 H   -5.608700     -0.5169000     -0.2900000    
 H    4.698500      -1.989200      0.1479000    
 H    5.661000      -1.366400       1.490300    
 H    5.647400     -0.5013000     -5.4099999E-02


%chk=000052752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052752

0 1
O -1.132632 2.132372 0.122876
O 1.196691 2.084097 -0.576022
O -3.125535 -0.007126 2.182411
O 3.211499 -0.372733 -2.213148
O -1.165499 -0.770996 1.310362
O 1.257786 -0.987122 -1.217744
N -2.297841 -0.166632 1.213862
N 2.384085 -0.364179 -1.231327
C -2.724535 0.355726 -0.174147
C 2.802462 0.403940 0.039878
C -3.217368 -0.840434 -1.024486
C 3.300549 -0.615651 1.093438
C -1.546249 1.080252 -0.824123
C 1.617219 1.224987 0.546256
C 0.025861 2.897214 -0.300749
C -4.450320 -1.560251 -0.441202
C 4.544241 -1.414548 0.653833
H -3.546089 1.055545 0.053440
H 3.619990 1.057432 -0.308204
H -3.459197 -0.439911 -2.028351
H -2.378045 -1.549620 -1.154953
H 3.531510 -0.039722 2.010804
H 2.466799 -1.298670 1.343807
H -1.880911 1.529054 -1.782944
H -0.712857 0.380200 -1.019145
H 1.947041 1.842697 1.407976
H 0.788554 0.566109 0.864276
H 0.197607 3.600348 0.536658
H -0.154959 3.429478 -1.254214
H -4.232157 -2.016792 0.540125
H -4.777351 -2.366091 -1.121599
H -5.297207 -0.863085 -0.305645
H 4.337588 -2.040106 -0.232137
H 4.873538 -2.083386 1.468319
H 5.385632 -0.743696 0.401718


