%chk=000018984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018984

0 1
 O   -1.270200      -2.054500     -4.3000001E-02
 N  -0.6310000      0.1887000     -0.3613000    
 C   -1.176200       1.489800     -5.4499999E-02
 C   -2.656700       1.211800      0.1119000    
 C   0.7072000      3.2900002E-02 -0.8889000    
 C   -2.704100     -0.2199000      0.6318000    
 C   -1.471800     -0.8514000      2.7799999E-02
 C    1.774000      0.1114000      0.1981000    
 C    3.192600     -2.5500000E-02 -0.3594000    
 C    4.236200      0.1167000      0.7375000    
 H  -0.9782000       2.196700     -0.8651000    
 H  -0.7234000       1.848100      0.8755000    
 H   -3.155200       1.260800     -0.8644000    
 H   -3.151500       1.924600      0.7773000    
 H   0.7670000     -0.9459000      -1.378900    
 H   0.8665000      0.7998000      -1.654800    
 H   -3.609700     -0.7400000      0.3104000    
 H   -2.617400     -0.2527000       1.722300    
 H    1.594600     -0.6721000      0.9452000    
 H    1.684900       1.068600      0.7270000    
 H    3.367200      0.7416000      -1.122600    
 H    3.307100      -1.000900     -0.8461000    
 H    4.106300     -0.6536000       1.504500    
 H    5.242200      1.3200000E-02  0.3189000    
 H    4.168100       1.097100       1.219700    


%chk=000018984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018984

0 1
O -1.257283 -2.094512 -0.208154
N -0.654672 0.183247 -0.355884
C -1.187405 1.511297 0.004711
C -2.713151 1.250474 0.176550
C 0.709243 -0.028683 -0.853795
C -2.801581 -0.254787 0.535635
C -1.515567 -0.866764 -0.047094
C 1.804535 0.188450 0.218333
C 3.222213 -0.059443 -0.345091
C 4.327619 0.145418 0.713083
H -0.969558 2.247920 -0.791499
H -0.729424 1.883817 0.944776
H -3.231526 1.440493 -0.779690
H -3.158257 1.907121 0.942148
H 0.749238 -1.071833 -1.218656
H 0.889327 0.646062 -1.715981
H -3.686058 -0.763506 0.120010
H -2.804549 -0.425877 1.628966
H 1.614906 -0.498289 1.066267
H 1.746721 1.221501 0.618526
H 3.401476 0.619344 -1.204246
H 3.278827 -1.091822 -0.745309
H 4.187857 -0.541830 1.568356
H 5.331406 -0.041711 0.289686
H 4.314164 1.179213 1.107249


