%chk=000057584.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057584

0 1
 O   -2.383500     -0.2295000      -1.687200    
 O   0.5819000     -0.4757000       1.945400    
 O  -0.9442000       3.578100      0.4308000    
 N   -1.586100       1.676300     -0.6901000    
 N  -0.1042000       1.553500       1.124100    
 C  -0.4403000     -0.4488000     -0.2533000    
 C   0.7523000     -0.4375000      -1.226300    
 C  -0.8732000      -1.899900      1.8000000E-03
 C   -1.576700      0.3105000     -0.9308000    
 C   4.2199999E-02  0.1762000       1.051800    
 C    1.957600      -1.061700     -0.5973000    
 C   -2.118000      -1.944300      0.8240000    
 C  -0.8696000       2.356600      0.2872000    
 C    3.141400     -0.4778000     -0.3307000    
 C    4.318800      -1.161000      0.3053000    
 C    3.366900      0.9741000     -0.6589000    
 C   -3.265300      -2.489200      0.4043000    
 H   0.5045000      -1.011800      -2.129700    
 H   0.9451000      0.5760000      -1.591100    
 H  -0.1128000      -2.473000      0.5449000    
 H   -1.030000      -2.425300     -0.9500000    
 H    1.876400      -2.121900     -0.3645000    
 H   -2.244400       2.228500      -1.232700    
 H   0.3303000       2.015000       1.918300    
 H   -2.084700      -1.532000       1.829100    
 H    5.191100      -1.108800     -0.3540000    
 H    4.569200     -0.6847000       1.258500    
 H    4.112300      -2.217800      0.5040000    
 H    2.459100       1.580900     -0.6371000    
 H    3.837900       1.069800      -1.642400    
 H    4.038400       1.427600      7.9599999E-02
 H   -4.135500      -2.502200       1.051500    
 H   -3.359600      -2.928300     -0.5827000    


%chk=000057584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057584

0 1
O -2.231999 -0.345451 -1.984640
O 0.653875 -0.139661 1.880313
O -1.471142 3.656213 0.257778
N -1.803089 1.629788 -0.862602
N -0.309158 1.751985 0.962362
C -0.426805 -0.396539 -0.316562
C 0.813709 -0.380652 -1.343131
C -0.806375 -1.864351 0.049726
C -1.573125 0.260436 -1.101742
C 0.001125 0.373227 0.936561
C 2.046145 -1.109206 -0.866665
C -1.944288 -1.958433 1.047755
C -1.207634 2.435264 0.124209
C 3.189277 -0.553450 -0.366752
C 4.355075 -1.431999 0.051320
C 3.412181 0.933438 -0.160749
C -3.188811 -2.411717 0.755146
H 0.424062 -0.861775 -2.260824
H 1.040261 0.671350 -1.596912
H 0.096925 -2.335432 0.476613
H -1.073062 -2.384650 -0.886856
H 2.009680 -2.204146 -0.952193
H -2.506891 2.092097 -1.447581
H 0.064425 2.296702 1.746700
H -1.708157 -1.642625 2.074915
H 5.274460 -1.166624 -0.507089
H 4.583560 -1.290587 1.126066
H 4.146273 -2.502360 -0.116092
H 2.586922 1.560960 -0.535777
H 4.344539 1.260834 -0.660666
H 3.535408 1.149844 0.918440
H -3.972435 -2.468213 1.519455
H -3.457632 -2.732364 -0.258727


