%chk=000091629.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091629

0 1
 O    3.075300       1.051100      0.6476000    
 O  -0.4769000      -2.499300     -0.6389000    
 N  -0.2244000     -0.5610000      0.1549000    
 N  -0.1172000      -1.862600      0.3587000    
 C   0.8168000      0.2385000      0.7858000    
 C    2.100900      0.2728000     -4.6700001E-02
 C   -1.549300     -6.3100003E-02  0.5534000    
 C   -2.084400      0.9939000     -0.4051000    
 C    1.905500      0.8989000      -1.421600    
 C   -3.446300       1.530800      1.2000000E-02
 H   0.4956000       1.283000      0.9102000    
 H    1.033400     -0.1047000       1.808200    
 H    2.515800     -0.7347000     -0.1650000    
 H   -1.543300      0.3142000       1.586000    
 H   -2.290100     -0.8780000      0.5540000    
 H   -1.385200       1.836200     -0.4685000    
 H   -2.164100      0.5715000      -1.414400    
 H    2.864500      0.9695000      -1.946700    
 H    1.520900       1.921300      -1.335300    
 H    1.217300      0.3165000      -2.041300    
 H   -3.396200       1.996600       1.001300    
 H   -3.792200       2.284300     -0.7023000    
 H   -4.189600      0.7280000      4.6700001E-02
 H    3.230400      0.6266000       1.508600    


%chk=000091629-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091629

0 1
O 3.261491 0.960491 0.527504
O -1.026682 -2.464237 -0.330018
N -0.216006 -0.552307 0.547106
N 0.024062 -1.824394 0.058256
C 0.992566 0.164097 1.008585
C 2.097247 0.284234 -0.079723
C -1.582605 0.002839 0.690507
C -2.012321 0.914893 -0.483924
C 1.687018 1.143123 -1.276313
C -3.446657 1.445694 -0.276755
H 0.691466 1.178782 1.319741
H 1.410489 -0.354853 1.894631
H 2.367614 -0.736873 -0.416149
H -1.628833 0.559139 1.645391
H -2.266669 -0.864404 0.749251
H -1.306077 1.762462 -0.578197
H -1.954463 0.335318 -1.424178
H 2.517267 1.194421 -2.000067
H 1.452848 2.171784 -0.947237
H 0.804645 0.714985 -1.781685
H -3.526156 2.038500 0.654136
H -3.751743 2.095394 -1.116300
H -4.172732 0.614396 -0.212449
H 3.701432 0.346816 1.169486


