%chk=000038218.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038218

0 1
 O   0.6332000       2.006700     -0.3056000    
 N    1.345300     -0.1752000      2.0700000E-02
 C    2.766600      0.1106000      4.1999999E-03
 C    3.104200       1.086300       1.137200    
 C    3.139600      0.7316000      -1.345600    
 C   0.3916000      0.8141000     -0.1382000    
 C   -1.022100      0.3626000     -7.0400000E-02
 C   -1.988300       1.257200      0.3404000    
 C   -1.323600     -0.9372000     -0.4210000    
 C    3.512800      -1.149300      0.1984000    
 C   -3.647000     -0.4761000      5.4600000E-02
 C   -3.315500      0.8331000      0.4038000    
 C   -2.650900      -1.361300     -0.3578000    
 C   -5.066300     -0.9297000      0.1231000    
 C    4.120200      -2.173400      0.3561000    
 H    1.063900      -1.123400      0.2483000    
 H    2.661400       2.077300       1.000600    
 H    2.758400      0.7039000       2.105700    
 H    4.188600       1.233600       1.216900    
 H    4.226700      0.8522000      -1.433400    
 H    2.818500      9.3400002E-02  -2.178300    
 H    2.700700       1.721100      -1.503900    
 H   -1.746300       2.278100      0.6202000    
 H  -0.5860000      -1.646000     -0.7825000    
 H   -4.082700       1.532200      0.7261000    
 H   -2.898500      -2.380900     -0.6417000    
 H   -5.612800     -0.3999000      0.9107000    
 H   -5.565400     -0.7475000     -0.8338000    
 H   -5.128800      -1.998700      0.3538000    
 H    4.658700      -3.081400      0.4959000    


%chk=000038218-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038218

0 1
O 0.649033 2.073566 -0.212079
N 1.389357 -0.126602 0.052370
C 2.860642 0.162820 0.001774
C 3.268120 1.106433 1.173754
C 3.235940 0.800295 -1.369117
C 0.396111 0.831275 -0.078096
C -1.022095 0.316838 -0.036341
C -2.044620 1.242935 0.290073
C -1.386030 -1.023379 -0.329467
C 3.556481 -1.140778 0.149277
C -3.763524 -0.506995 0.065676
C -3.391107 0.834389 0.347096
C -2.737497 -1.425566 -0.276687
C -5.219206 -0.936549 0.093942
C 4.150357 -2.213605 0.274051
H 1.124079 -1.087152 0.274681
H 2.725098 2.059592 1.072249
H 3.020190 0.647186 2.145767
H 4.354704 1.297372 1.139988
H 4.322640 0.989278 -1.405993
H 2.965929 0.123691 -2.197359
H 2.695667 1.753094 -1.485844
H -1.754900 2.279531 0.491134
H -0.630443 -1.756919 -0.637387
H -4.167008 1.562971 0.611615
H -3.001781 -2.463415 -0.513008
H -5.799037 -0.353560 0.830855
H -5.696009 -0.782264 -0.893759
H -5.322996 -2.006897 0.344304
H 4.678103 -3.143583 0.381034


