%chk=000021738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021738

0 1
 O    2.092100       1.920200      0.2247000    
 O    5.520000     -0.2962000     -0.3717000    
 O    3.739500      -1.410700      -1.237600    
 N  -0.5405000     -0.4174000      0.3282000    
 N    2.126800     -0.3477000      0.7067000    
 N   -2.013700       1.828300     -0.3829000    
 C   -1.870700     -0.4981000      0.1498000    
 C   -2.616700      0.6391000     -0.2102000    
 C   4.3800000E-02  0.7812000      0.1506000    
 C   -2.528600      -1.714000      0.3200000    
 C    1.479100      0.8428000      0.3495000    
 C   -3.993200      0.5184000     -0.3865000    
 C  -0.6823000       1.888100     -0.1998000    
 C    3.546300     -0.4431000      0.9616000    
 C   -3.906500      -1.824000      0.1412000    
 C   -4.641900     -0.7029000     -0.2135000    
 C    4.246500     -0.7639000     -0.3298000    
 H   -1.963800      -2.601500      0.5984000    
 H   -4.582500       1.389900     -0.6650000    
 H  -0.2401000       2.865700     -0.3498000    
 H    1.575200      -1.197300      0.7876000    
 H    3.723200      -1.244400       1.683100    
 H    3.907100      0.5109000       1.356600    
 H   -4.399600      -2.781400      0.2789000    
 H   -5.715900     -0.7750000     -0.3559000    
 H    5.968000     -0.5296000      -1.212700    


%chk=000021738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021738

0 1
O 1.952082 2.361290 0.518992
O 5.610545 -1.275188 0.127802
O 3.549775 -2.332690 -0.101054
N -0.473626 -0.288092 0.053134
N 2.205808 0.062042 0.199116
N -2.268725 1.950044 0.302246
C -1.845393 -0.471980 -0.024393
C -2.749681 0.657668 0.101053
C -0.034161 0.973642 0.248229
C -2.375134 -1.783253 -0.229757
C 1.455478 1.202884 0.335425
C -4.158333 0.440389 0.016499
C -0.932147 2.090827 0.372887
C 3.658968 0.105701 0.256850
C -3.758034 -1.966105 -0.308506
C -4.651772 -0.851872 -0.185196
C 4.219229 -1.291630 0.074550
H -1.672595 -2.617423 -0.320869
H -4.818259 1.307738 0.114032
H -0.520916 3.091873 0.530158
H 1.723476 -0.834696 0.052474
H 4.014810 0.520741 1.220364
H 4.076158 0.772795 -0.523056
H -4.168679 -2.969144 -0.465867
H -5.731970 -1.020722 -0.250216
H 5.964697 -2.197439 0.006601


