%chk=000021589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021589

0 1
 O   -2.159700      0.1183000      -1.276100    
 N    1.461300      -2.007800     -0.2463000    
 N   -3.737900      0.4084000      0.4039000    
 N   -4.726000      0.8005000     -0.4756000    
 C  -0.1992000     -0.7483000      0.5174000    
 C   0.9329000      8.7700002E-02  0.3071000    
 C    1.960800     -0.7271000     -0.1721000    
 C   -1.522500     -0.3263000       1.019500    
 C   0.1567000      -2.030700      0.1684000    
 C    1.182600       1.463800      0.4790000    
 C    3.231100     -0.2328000     -0.4892000    
 C    2.448500       1.972300      0.1660000    
 C    3.455400       1.135300     -0.3106000    
 C   -2.484300      8.6599998E-02 -9.1399997E-02
 H   -1.419900      0.5180000       1.712000    
 H   -1.987000      -1.144900       1.583900    
 H  -0.3996000      -2.957700      0.1767000    
 H    1.982900      -2.814000     -0.5616000    
 H   0.4087000       2.130800      0.8481000    
 H    4.015600     -0.8836000     -0.8603000    
 H    2.646700       3.033000      0.2963000    
 H    4.431300       1.551500     -0.5477000    
 H   -3.962000      0.3687000       1.393300    
 H   -5.513000      0.1681000     -0.3371000    
 H   -5.045900       1.718800     -0.1706000    


%chk=000021589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021589

0 1
O -3.769757 0.181937 1.573142
N 1.359879 -1.789473 -0.735185
N -2.634841 0.273392 -0.452010
N -3.631987 1.029458 -1.127714
C -0.334427 -1.035762 0.607352
C 0.664964 0.016265 0.479869
C 1.714795 -0.484682 -0.368851
C -1.600432 -0.979871 1.423238
C 0.130444 -2.116536 -0.145568
C 0.773772 1.331551 1.005832
C 2.852296 0.284000 -0.701366
C 1.906224 2.102181 0.680307
C 2.933461 1.584698 -0.164569
C -2.757102 -0.117607 0.870909
H -1.401456 -0.590290 2.439111
H -2.016852 -1.994778 1.567616
H -0.321666 -3.095939 -0.294705
H 1.908916 -2.405106 -1.330667
H -0.009864 1.740612 1.653501
H 3.644628 -0.108078 -1.348737
H 2.005548 3.117742 1.078988
H 3.801230 2.210883 -0.399799
H -1.804540 0.030217 -0.995617
H -3.718980 1.965068 -0.703879
H -4.536754 0.538716 -1.078199


