%chk=000018868.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018868

0 1
 O   0.2526000       2.086100      0.2242000    
 N    1.142300     -5.0600000E-02  0.2972000    
 N    2.408000      0.4153000      0.3939000    
 C   -1.254500      0.2922000      8.9000002E-02
 C   -2.232400       1.033600     -0.5406000    
 C   -1.499300     -0.9634000      0.6046000    
 C   0.1103000      0.8660000      0.2157000    
 C    3.358000     -0.3136000     -0.1082000    
 C   -3.513500      0.4951000     -0.6598000    
 C   -2.780600      -1.502000      0.4852000    
 C   -3.787600     -0.7727000     -0.1471000    
 C    4.827200      3.4200002E-02 -9.8899998E-02
 C    2.969500      -1.620200     -0.7552000    
 H   -2.034000       2.019700     -0.9498000    
 H  -0.7531000      -1.548300       1.132000    
 H   -4.297500       1.062400      -1.152900    
 H   -2.996700      -2.486000      0.8911000    
 H   -4.785500      -1.191500     -0.2387000    
 H   0.9966000      -1.047000      0.2005000    
 H    5.382100     -0.7470000      0.4268000    
 H    4.980300      0.9901000      0.4088000    
 H    5.189100      0.1098000      -1.127500    
 H    2.218100      -1.470400      -1.535900    
 H    2.616300      -2.329900     -1.3000000E-03
 H    3.847900      -2.064500      -1.234900    


%chk=000018868-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018868

0 1
O 0.238333 2.195172 0.241551
N 1.145679 0.047349 -0.073069
N 2.465006 0.486846 0.027859
C -1.284217 0.311016 0.039901
C -2.372632 1.129922 -0.356520
C -1.530670 -1.039442 0.406123
C 0.081921 0.953864 0.091532
C 3.420195 -0.390652 -0.205606
C -3.679102 0.602621 -0.415206
C -2.840927 -1.565099 0.352625
C -3.916706 -0.748385 -0.065807
C 4.839925 0.109849 -0.079597
C 3.193306 -1.849082 -0.586872
H -2.168486 2.176868 -0.603804
H -0.719158 -1.675829 0.780749
H -4.511748 1.241838 -0.728511
H -3.024255 -2.603816 0.648998
H -4.932430 -1.157126 -0.107369
H 0.925450 -0.920827 -0.339052
H 5.396924 -0.466051 0.685219
H 4.840379 1.173949 0.203014
H 5.387091 -0.008240 -1.035382
H 2.610398 -1.943672 -1.525732
H 2.645095 -2.399689 0.205038
H 4.154229 -2.363982 -0.741883


