%chk=000104318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104318

0 1
 O   0.7999000      -1.675300     -0.5768000    
 O   -1.651800      -2.187300      0.3465000    
 N    1.627800      0.3366000      0.2262000    
 N  -0.8460000       1.323100     -0.2701000    
 C    3.023800     -2.5400000E-02  0.1814000    
 C    3.789000      0.6776000       1.295100    
 C    3.616300      0.2975000      -1.184600    
 C   0.6197000     -0.5332000     -0.1628000    
 C  -0.7648000     -3.0000001E-04 -8.2400002E-02
 C   -1.809800     -0.8511000      0.1646000    
 C   -3.078200     -0.2846000      0.2261000    
 C   -3.231800       1.084700      3.9900001E-02
 C   -2.094300       1.837800     -0.2032000    
 H    3.101900      -1.107600      0.3414000    
 H    1.382100       1.282700      0.5045000    
 H    4.843400      0.3824000       1.292900    
 H    3.739400       1.766900       1.186800    
 H    3.368400      0.4247000       2.274600    
 H    3.083800     -0.2365000      -1.979200    
 H    4.671200      8.0000004E-03  -1.232300    
 H    3.545600       1.368700      -1.404400    
 H   -3.949700     -0.9039000      0.4189000    
 H   -4.210700       1.547900      8.3600000E-02
 H   -2.160100       2.910100     -0.3552000    
 H  -0.7099000      -2.420900      0.3483000    


%chk=000104318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104318

0 1
O 0.825470 -1.816676 -0.052007
O -1.693014 -2.223141 -0.184507
N 1.645140 0.361219 0.228801
N -0.886459 1.377324 0.226367
C 3.078656 -0.002233 0.234615
C 3.843531 0.949840 1.175483
C 3.653369 0.006161 -1.202708
C 0.636968 -0.537661 0.082503
C -0.746668 0.022603 0.089069
C -1.859158 -0.868282 -0.047792
C -3.163975 -0.303979 -0.038269
C -3.298919 1.087654 0.104076
C -2.137760 1.899190 0.233921
H 3.130784 -1.036349 0.622790
H 1.342802 1.341704 0.308332
H 4.910077 0.667734 1.214881
H 3.786376 1.995480 0.815893
H 3.436223 0.910101 2.201118
H 3.084162 -0.682837 -1.849783
H 4.709264 -0.320498 -1.193823
H 3.608525 1.020481 -1.640837
H -4.028375 -0.965906 -0.142154
H -4.290051 1.552252 0.114715
H -2.216118 2.985265 0.345640
H -0.665648 -2.396847 -0.166526


