%chk=000096771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096771

0 1
 O   0.3345000      0.8245000      -1.165800    
 O    3.537100      0.9401000       1.336000    
 O   -1.658300     -0.1816000       1.669400    
 O    3.235100      -2.122600     -0.5341000    
 O    5.038900      -3.201800      0.3200000    
 N    1.641600       2.401000     -6.6600002E-02
 N   -1.890500       1.556100      0.1495000    
 N    4.403100      0.2088000     -0.6930000    
 C  -0.6861000       2.251400      0.4953000    
 C    2.902400       2.080800     -0.6968000    
 C   0.4563000       1.740900     -0.3566000    
 C   -3.548300     -0.2358000      0.2827000    
 C    3.619400       1.021800      0.1131000    
 C   -2.287000      0.3764000      0.7739000    
 C    5.234700     -0.8547000     -0.1769000    
 C   -3.746900      -1.611700      0.3983000    
 C   -4.534200      0.5651000     -0.2939000    
 C   -4.931300      -2.186700     -6.2700003E-02
 C   -5.718500     -9.8999999E-03 -0.7548000    
 C   -5.917000      -1.385800     -0.6391000    
 C    4.515000      -2.176400     -9.7800002E-02
 H  -0.4508000       2.098900       1.553300    
 H  -0.8405000       3.317100      0.3016000    
 H    3.515500       2.986300     -0.7189000    
 H    2.717300       1.741100      -1.720600    
 H    1.640400       3.131500      0.6396000    
 H   -2.416600       1.921600     -0.6371000    
 H    4.402200      0.3540000      -1.698300    
 H    5.580100     -0.5857000      0.8257000    
 H    6.085700     -0.9596000     -0.8555000    
 H   -2.989100      -2.253200      0.8403000    
 H   -4.432500       1.643200     -0.3751000    
 H   -5.085800      -3.258000      2.6500000E-02
 H   -6.489600      0.6140000      -1.197500    
 H   -6.839900      -1.833300     -0.9966000    
 H    2.789100      -2.994100     -0.4729000    


%chk=000096771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096771

0 1
O 0.788900 1.820805 -1.500599
O 4.904149 0.761072 0.363452
O -0.849065 -0.174433 1.692578
O 1.623198 -0.570608 1.127194
O 1.091518 -2.568541 0.051745
N 2.163393 2.657483 0.181090
N -1.379141 1.563459 0.237824
N 3.161210 0.080910 -1.051240
C -0.253487 2.398567 0.656755
C 3.408629 2.473807 -0.598980
C 0.944037 2.257526 -0.313618
C -2.720087 -0.491071 0.184068
C 3.928344 1.027794 -0.396878
C -1.592568 0.302070 0.761512
C 3.124704 -1.314809 -0.601681
C -2.581462 -1.903332 0.148737
C -3.901060 0.119253 -0.315076
C -3.613072 -2.694585 -0.397171
C -4.934121 -0.679458 -0.850433
C -4.789451 -2.086277 -0.896546
C 1.847625 -1.579924 0.218618
H 0.036246 2.090367 1.676480
H -0.570417 3.457873 0.688538
H 4.173728 3.177275 -0.238131
H 3.180183 2.678099 -1.658677
H 2.263446 2.811898 1.187156
H -1.820561 1.792591 -0.655268
H 2.359702 0.430062 -1.595700
H 4.017312 -1.484189 0.027450
H 3.140314 -2.020124 -1.447953
H -1.660093 -2.356964 0.530217
H -4.035488 1.205618 -0.248148
H -3.498801 -3.782874 -0.436151
H -5.851441 -0.209756 -1.221303
H -5.591406 -2.704597 -1.314753
H 0.670582 -0.561286 1.519491


