%chk=000023113.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023113

0 1
 O  -8.5400000E-02  0.4095000     -0.6129000    
 O   -2.406200      -2.660500      0.7762000    
 O   0.2758000      0.6578000       1.676100    
 O  -0.7382000      -2.268800     -0.7173000    
 N    3.820400     -0.1081000      -1.417300    
 C   -1.420200      0.5815000     -0.3982000    
 C   -2.249100     -0.5083000     -0.1324000    
 C   -1.954800       1.868900     -0.4464000    
 C   -3.612700     -0.3108000      8.5100003E-02
 C    2.133600      0.2785000      0.2304000    
 C   -3.318300       2.066600     -0.2287000    
 C   -4.147200      0.9767000      3.7000000E-02
 C   0.6950000      0.4744000      0.5432000    
 C    3.062500      0.2994000       1.242200    
 C   -1.711600      -1.860700     -7.7500001E-02
 C    2.528600      7.7299997E-02  -1.064700    
 C    4.401900      0.1124000      0.9189000    
 C    4.725900     -8.5699998E-02 -0.4136000    
 H   -1.315400       2.722800     -0.6537000    
 H   -4.286500      -1.140600      0.2818000    
 H   -3.734800       3.068900     -0.2670000    
 H   -5.209500       1.130600      0.2033000    
 H    2.783300      0.4564000       2.279400    
 H    1.846500      4.9699999E-02  -1.907000    
 H    5.168200      0.1212000       1.685600    
 H    5.756300     -0.2365000     -0.7181000    
 H   -2.037100      -3.568900      0.8074000    


%chk=000023113-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023113

0 1
O -0.072758 0.701235 -0.446089
O -2.552405 -2.748358 0.552846
O 0.338132 0.401539 1.845668
O -0.385537 -2.029810 0.173830
N 3.872716 0.102401 -1.509979
C -1.481154 0.734883 -0.276471
C -2.244085 -0.424695 0.046124
C -2.108021 1.970072 -0.530087
C -3.657964 -0.293056 0.125125
C 2.175510 0.254055 0.248306
C -3.512594 2.074742 -0.454113
C -4.289643 0.940728 -0.119013
C 0.763298 0.426695 0.675371
C 3.164572 0.065686 1.246886
C -1.606518 -1.751687 0.254496
C 2.576943 0.260016 -1.113814
C 4.505715 -0.101769 0.850625
C 4.812063 -0.072978 -0.531106
H -1.483085 2.832396 -0.779681
H -4.243528 -1.181001 0.375436
H -3.995389 3.037919 -0.650203
H -5.379365 1.018944 -0.053418
H 2.863526 0.050749 2.299381
H 1.835780 0.389903 -1.906949
H 5.299987 -0.251242 1.588037
H 5.843705 -0.195700 -0.880386
H -2.068902 -3.607966 0.680977


