%chk=000020992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020992

0 1
 O   -4.767600       1.705700      -1.063000    
 O   -3.594600      -1.994100       1.412800    
 O    3.019700     -0.4965000      -2.259700    
 O    5.148000      0.1734000       1.767200    
 N   -3.827400      8.6599998E-02  0.3506000    
 N    3.957300      0.2784000     -0.2535000    
 C  -0.2458000       1.367700      0.7402000    
 C    1.030100       1.153500     -7.7900000E-02
 C   -1.429000      0.6114000      0.1266000    
 C    2.248000       1.894200      0.4866000    
 C   -2.721700      0.8137000      0.9110000    
 C    3.551800       1.656600     -0.2699000    
 C   -4.721500      0.5942000     -0.5638000    
 C   -4.144900      -1.217800      0.6505000    
 C    3.658500     -0.6427000      -1.231500    
 C    4.700700     -0.3122000      0.7421000    
 C   -5.677100     -0.4836000     -0.8627000    
 C   -5.336300      -1.554500     -0.1448000    
 C    4.267900      -1.914800     -0.8138000    
 C    4.883900      -1.719400      0.3528000    
 H  -8.4700003E-02   1.026700       1.769800    
 H  -0.4771000       2.438700      0.7847000    
 H    1.233800      7.7500001E-02 -0.1072000    
 H   0.8622000       1.477000      -1.112400    
 H   -1.193200     -0.4593000      8.0300003E-02
 H   -1.577700      0.9406000     -0.9097000    
 H    2.037400       2.970700      0.4889000    
 H    2.383800       1.599700       1.535000    
 H   -2.977200       1.879300      0.9306000    
 H   -2.577900      0.4775000       1.944300    
 H    3.438000       1.981000      -1.310400    
 H    4.345100       2.255700      0.1913000    
 H   -6.502600     -0.3946000      -1.548500    
 H   -5.829000      -2.512000     -0.1296000    
 H    4.209700      -2.832500      -1.374300    
 H    5.427600      -2.446500      0.9320000    


%chk=000020992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020992

0 1
O -4.790755 1.843483 -0.998015
O -3.690875 -1.998275 1.469211
O 3.381552 -0.430451 -2.454385
O 5.008551 0.262074 1.897794
N -3.934493 0.108308 0.388516
N 4.040052 0.277046 -0.276401
C -0.268821 1.319466 0.712386
C 1.033963 1.072635 -0.080347
C -1.475246 0.554213 0.125768
C 2.233122 1.859857 0.490741
C -2.762019 0.802857 0.943995
C 3.544674 1.665152 -0.304114
C -4.842377 0.672982 -0.545121
C -4.296786 -1.232446 0.678808
C 3.922035 -0.653782 -1.342803
C 4.729119 -0.311689 0.815621
C -5.853983 -0.405676 -0.851941
C -5.535311 -1.518813 -0.136908
C 4.581033 -1.925767 -0.864365
C 5.051433 -1.726560 0.396780
H -0.117206 1.019521 1.770308
H -0.491741 2.406930 0.722239
H 1.262302 -0.012239 -0.075923
H 0.880926 1.352069 -1.142477
H -1.258455 -0.531459 0.110285
H -1.643255 0.871242 -0.921831
H 2.000887 2.944015 0.482119
H 2.405554 1.582528 1.548696
H -2.999902 1.882053 0.962484
H -2.626561 0.451058 1.983020
H 3.394125 1.923149 -1.368325
H 4.337405 2.313372 0.110875
H -6.679227 -0.240020 -1.544596
H -6.036302 -2.486299 -0.101700
H 4.632558 -2.816541 -1.490608
H 5.582221 -2.414697 1.054815


