%chk=000170424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170424

0 1
 O   0.7556000       1.742900     -0.6757000    
 O   -3.077700      -2.130700      -1.441500    
 N   -4.362900      0.1430000      0.8055000    
 N    5.015000      -1.561800      0.6892000    
 N   -2.316700      -2.678800      0.6511000    
 C  -0.4952000       1.345900     -0.3142000    
 C   -2.176300     -0.3814000     -0.1475000    
 C   -3.059900      0.5338000      0.4247000    
 C  -0.8939000      2.4599999E-02 -0.5170000    
 C   -1.379000       2.261000      0.2581000    
 C    1.815600      0.9192000     -0.3359000    
 C   -2.661200       1.855000      0.6276000    
 C    1.871600      0.3839000      0.9383000    
 C    2.791900      0.6543000      -1.279300    
 C    3.934700     -0.7234000      0.3434000    
 C    2.940400     -0.4444000       1.280800    
 C    3.860500     -0.1742000     -0.9366000    
 C   -2.562700      -1.769000     -0.3710000    
 H  -0.2251000     -0.6952000     -0.9838000    
 H   -1.073800       3.291500      0.4186000    
 H   -3.339600       2.578500       1.072500    
 H    1.122900      0.6050000       1.693300    
 H    2.735100       1.081100      -2.276000    
 H    2.989700     -0.8625000       2.283000    
 H    4.629000     -0.3843000      -1.676100    
 H   -4.989300      0.8206000       1.219800    
 H   -4.676200     -0.8086000      0.6715000    
 H    5.736700      -1.763400      1.0100000E-02
 H    5.070100      -1.959500       1.617400    
 H   -2.559300      -3.658400      0.5474000    
 H   -1.889400      -2.400900       1.528900    


%chk=000170424-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170424

0 1
O 0.741933 1.683640 -0.416752
O -4.072319 -2.148982 0.277131
N -4.683935 0.400108 0.513958
N 5.280525 -1.530200 0.656379
N -1.883549 -2.820141 0.082469
C -0.589354 1.279042 -0.128212
C -2.382760 -0.395928 0.115033
C -3.344333 0.664576 0.306472
C -1.016849 -0.056331 -0.115343
C -1.526253 2.324285 0.073008
C 1.824144 0.801542 -0.133440
C -2.875144 2.018516 0.278876
C 1.965307 0.148299 1.112993
C 2.835315 0.686232 -1.110111
C 4.142533 -0.759597 0.396523
C 3.110568 -0.629875 1.372513
C 3.986694 -0.083377 -0.848275
C -2.834287 -1.814334 0.160693
H -0.271527 -0.833448 -0.312321
H -1.174856 3.360432 0.052327
H -3.598911 2.829079 0.425381
H 1.190182 0.256479 1.879115
H 2.713091 1.209196 -2.063613
H 3.214985 -1.129148 2.343661
H 4.769657 -0.162624 -1.612124
H -5.342606 1.160839 0.656919
H -4.970837 -0.589916 0.490547
H 6.025705 -1.605024 -0.029042
H 5.405486 -1.988771 1.553480
H -2.225534 -3.779342 0.106303
H -0.882472 -2.651427 0.042054


