%chk=000174810.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174810

0 1
 O   -2.272600      -1.426700      0.8111000    
 O   -2.452100      -1.704100      -1.515300    
 O    5.241300      0.8547000     -0.2293000    
 O    4.602200      -1.216800      0.1420000    
 N  -0.8785000      -1.203700      0.9388000    
 N    1.931900     -0.4362000      0.1174000    
 N    1.048700       1.579400     -0.1821000    
 N    4.325300      1.8000000E-03 -5.0700001E-02
 C   -1.774700      0.4175000     -0.5079000    
 C   -2.674400     -0.8109000     -0.4200000    
 C   -2.248200       1.620900      0.3186000    
 C   -4.171900     -0.5117000     -0.3931000    
 C   -3.741100       1.883600      0.1812000    
 C   -4.541700      0.6381000      0.5334000    
 C  -0.5810000     -0.1929000      0.1780000    
 C   0.7809000      0.3069000      3.9600000E-02
 C    2.987800      0.4117000     -6.5399997E-02
 C    2.417700       1.649500     -0.2487000    
 C    2.000600      -1.861100      0.3524000    
 H   -1.545900      0.7021000      -1.539600    
 H   -1.691800       2.514100      9.2000002E-03
 H   -2.013400       1.480400       1.382400    
 H   -4.723300      -1.409000     -8.5100003E-02
 H   -4.515500     -0.2765000      -1.409200    
 H   -3.969700       2.198000     -0.8443000    
 H   -4.031100       2.708200      0.8420000    
 H   -4.356200      0.3553000       1.576500    
 H   -5.613000      0.8507000      0.4445000    
 H   -1.537100      -1.595600      -1.823900    
 H    2.917300       2.591500     -0.4252000    
 H    1.025300      -2.333000      0.2548000    
 H    2.624300      -2.322400     -0.4175000    
 H    2.396600      -2.033500       1.356000    


%chk=000174810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174810

0 1
O -2.342355 -1.763028 0.224583
O -2.873233 -1.307506 -2.091205
O 5.167800 1.183880 -0.201261
O 4.747113 -0.854734 0.764992
N -0.910225 -1.589228 0.349957
N 1.948072 -0.486772 0.199325
N 1.016021 1.330702 -0.844707
N 4.364908 0.234693 0.165326
C -1.784134 0.408280 -0.639718
C -2.858032 -0.701374 -0.780072
C -2.107427 1.483810 0.450577
C -4.310930 -0.385502 -0.436905
C -3.599025 1.877821 0.461422
C -4.472936 0.629224 0.712760
C -0.582756 -0.410223 -0.185232
C 0.770370 0.105697 -0.260589
C 2.973071 0.421690 -0.118307
C 2.373028 1.525427 -0.755883
C 2.077239 -1.797610 0.880035
H -1.614747 0.905804 -1.608036
H -1.453954 2.355124 0.270249
H -1.847810 1.081241 1.449668
H -4.818191 -1.340680 -0.211933
H -4.771649 0.013939 -1.359226
H -3.883062 2.348168 -0.501773
H -3.767680 2.632713 1.252215
H -4.179941 0.165059 1.674815
H -5.539473 0.907225 0.798288
H -1.960681 -1.603480 -2.345769
H 2.869723 2.413903 -1.135239
H 1.074243 -2.238961 0.962164
H 2.743446 -2.455896 0.301795
H 2.519907 -1.659105 1.878285


