%chk=000011595.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011595

0 1
 O   -1.830600      -1.298900      0.4853000    
 N   -1.038200      0.8370000      2.5300000E-02
 N   -3.105100      0.1937000     -0.7055000    
 C    1.302800      0.1823000     -0.2882000    
 C    2.671100      5.9000000E-02  0.3833000    
 C   0.2531000      0.7073000      0.6898000    
 C    3.713700     -0.4964000     -0.5738000    
 C   -1.966900     -0.1841000     -1.6200000E-02
 H    1.372100      0.8550000      -1.152300    
 H   0.9906000     -0.7955000     -0.6758000    
 H    2.599100     -0.6001000       1.256300    
 H    2.998300       1.041100      0.7438000    
 H   0.1484000      3.2400001E-02   1.546000    
 H   0.5272000       1.700800       1.059000    
 H    4.684000     -0.5750000     -7.3399998E-02
 H    3.431400      -1.493600     -0.9260000    
 H    3.832500      0.1552000      -1.445300    
 H   -1.255000       1.715400     -0.4355000    
 H   -3.200000       1.117900      -1.112800    
 H   -3.883100     -0.4463000     -0.8250000    


%chk=000011595-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000011595

0 1
O -2.000433 -1.121366 0.786291
N -1.063287 0.855246 -0.058715
N -3.249540 0.212827 -0.662105
C 1.355452 0.191913 -0.343292
C 2.703265 0.006041 0.390456
C 0.231350 0.660957 0.609890
C 3.837841 -0.451559 -0.551340
C -2.091512 -0.079492 0.065989
H 1.483749 0.928004 -1.164915
H 1.047544 -0.762801 -0.812197
H 2.574255 -0.735914 1.204030
H 2.990673 0.959530 0.880082
H 0.064117 -0.099247 1.393073
H 0.531040 1.604091 1.110032
H 4.789620 -0.581573 -0.004235
H 3.588624 -1.416806 -1.030566
H 4.008610 0.288313 -1.356257
H -1.158544 1.636987 -0.707606
H -3.381508 1.061858 -1.206993
H -4.015916 -0.449810 -0.582620


