%chk=000049622.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049622

0 1
 O   0.6012000      -1.914000      -1.258900    
 N    2.977700       1.029300      0.2514000    
 C   0.1661000      9.2100002E-02  2.3399999E-02
 C   0.9009000      0.9242000      -1.049700    
 C    2.413500      0.6856000      -1.049300    
 C   -1.330600      0.3339000      4.4900000E-02
 C   0.4645000      -1.402100     -0.1475000    
 C   0.5534000      -2.221000       1.132900    
 C   -1.829500       1.398200      0.7731000    
 C   -2.159700     -0.5153000     -0.6645000    
 C    4.407900      0.7203000      0.2901000    
 C    2.755300       2.444600      0.5511000    
 C   0.8818000      -3.680100      0.8709000    
 C   -3.206300       1.621000      0.7928000    
 C   -3.536500     -0.2924000     -0.6448000    
 C   -4.059800      0.7757000      8.3899997E-02
 H   0.5568000      0.3687000       1.011800    
 H   0.5231000      0.6412000      -2.042400    
 H   0.6535000       1.987800     -0.9548000    
 H    2.868300       1.285900      -1.848600    
 H    2.631100     -0.3604000      -1.291500    
 H  -0.4049000      -2.148900       1.656900    
 H    1.333400      -1.782700       1.764300    
 H   -1.171800       2.062300       1.326100    
 H   -1.797800      -1.343600      -1.262300    
 H    4.576200     -0.3460000      0.1015000    
 H    4.821200      0.9298000       1.283100    
 H    4.975600       1.296300     -0.4497000    
 H    3.289900       2.726700       1.466500    
 H    1.704300       2.663600      0.7611000    
 H    3.105400       3.102700     -0.2527000    
 H    1.840200      -3.780000      0.3508000    
 H   0.1124000      -4.150600      0.2500000    
 H   0.9449000      -4.231800       1.813900    
 H   -3.613800       2.453200       1.359400    
 H   -4.201200     -0.9471000      -1.200900    
 H   -5.131600      0.9501000      9.7999997E-02


%chk=000049622-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049622

0 1
O 0.640575 -2.044237 -1.189032
N 3.021187 1.143462 0.147682
C 0.224302 0.064273 -0.008031
C 0.885875 0.829585 -1.183488
C 2.428850 0.754878 -1.158543
C -1.295136 0.279057 0.027458
C 0.517850 -1.451018 -0.082910
C 0.640053 -2.179876 1.252086
C -1.892971 1.017957 1.079797
C -2.125713 -0.237036 -1.002400
C 4.447130 0.765685 0.240102
C 2.815555 2.570522 0.471076
C 0.693073 -3.711923 1.133992
C -3.287977 1.247033 1.100989
C -3.519457 -0.011580 -0.981058
C -4.106513 0.732800 0.069410
H 0.658956 0.437286 0.938230
H 0.541629 0.394702 -2.140084
H 0.539754 1.880170 -1.162251
H 2.829296 1.388478 -1.992774
H 2.736728 -0.285928 -1.369426
H -0.197200 -1.851161 1.901283
H 1.557795 -1.786136 1.740278
H -1.261693 1.419960 1.882196
H -1.676334 -0.823434 -1.812743
H 4.556834 -0.319248 0.064060
H 4.827099 0.990266 1.253363
H 5.097155 1.302156 -0.497342
H 3.249307 2.791078 1.462992
H 1.737714 2.804213 0.513189
H 3.287329 3.259842 -0.275339
H 1.528917 -4.026991 0.486307
H -0.234249 -4.103625 0.680719
H 0.820174 -4.177485 2.127568
H -3.734093 1.823585 1.919502
H -4.148543 -0.417844 -1.781334
H -5.188158 0.907736 0.084775


