%chk=000012553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012553

0 1
 O    3.336500       2.023400      -1.064600    
 O    2.899300      -2.105200       1.067400    
 N    2.829400     -6.3000000E-03  9.4999997E-03
 C  -0.7579000     -0.7124000     -0.2040000    
 C   -1.861200      -1.710600     -0.4870000    
 C   -1.304500      0.5431000      0.1451000    
 C   -3.101700     -0.8730000     -0.2574000    
 C   -2.747900      0.4441000      0.1121000    
 C   0.6098000     -0.9164000     -0.2557000    
 C  -0.4766000       1.611200      0.4473000    
 C    1.444100      0.1605000      4.9199998E-02
 C   -4.425200      -1.261400     -0.3702000    
 C   -3.726600       1.388600      0.3732000    
 C   0.9065000       1.411600      0.3975000    
 C   -5.411500     -0.3092000     -0.1070000    
 C   -5.065800       1.002600      0.2610000    
 C    3.681400       1.102900     -0.3200000    
 C    3.411100      -1.287900      0.2989000    
 C    5.055500       1.121300      0.3088000    
 C    4.705200      -1.626900     -0.4041000    
 H   -1.820100      -2.544100      0.2201000    
 H   -1.813700      -2.057000      -1.523400    
 H   0.9874000      -1.887100     -0.5586000    
 H  -0.8772000       2.580300      0.7253000    
 H   -4.693500      -2.273000     -0.6537000    
 H   -3.475400       2.404700      0.6584000    
 H    1.541800       2.249900      0.6727000    
 H   -6.460000     -0.5837000     -0.1869000    
 H   -5.851900       1.726100      0.4609000    
 H    5.280400       2.154500      0.5956000    
 H    5.099600      0.5279000       1.224600    
 H    5.812500      0.8027000     -0.4105000    
 H    4.838200      -1.054800      -1.324800    
 H    5.554300      -1.501500      0.2706000    
 H    4.662900      -2.682100     -0.6961000    


%chk=000012553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012553

0 1
O 2.934541 1.598680 -1.604675
O 2.780367 -1.700055 1.681813
N 2.919919 -0.037875 0.054692
C -0.766781 -0.631808 -0.426838
C -1.886316 -1.466542 -1.036453
C -1.317303 0.450521 0.325635
C -3.144094 -0.749007 -0.558334
C -2.788287 0.378618 0.244026
C 0.621888 -0.801235 -0.525225
C -0.467567 1.363792 0.987737
C 1.463380 0.117481 0.142054
C -4.494775 -1.052280 -0.802315
C -3.787291 1.205717 0.803823
C 0.929296 1.188582 0.893885
C -5.497367 -0.221931 -0.240250
C -5.144779 0.897051 0.555574
C 3.598293 0.916300 -0.781043
C 3.479284 -1.129704 0.803508
C 5.091455 1.162515 -0.590622
C 4.871996 -1.646735 0.458914
H -1.852792 -2.517344 -0.687160
H -1.823582 -1.498130 -2.141990
H 1.058501 -1.622736 -1.103300
H -0.876930 2.196166 1.570072
H -4.775505 -1.915609 -1.416753
H -3.521615 2.072392 1.419630
H 1.610059 1.879645 1.402022
H -6.554635 -0.445674 -0.421765
H -5.933391 1.527579 0.981369
H 5.302343 2.159721 -1.006349
H 5.394632 1.135161 0.468677
H 5.701664 0.432704 -1.149684
H 5.059374 -1.666681 -0.627151
H 5.663297 -1.047089 0.940143
H 4.937919 -2.669391 0.860535


