%chk=000107978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107978

0 1
 O   -2.680600       1.630700     -0.5476000    
 O   -1.554900       1.452900       1.414900    
 O    1.187900      0.8715000      -1.449300    
 O    3.508300      0.4862000     -0.3836000    
 O    2.569200     -0.7684000       1.280600    
 N   0.1022000     -0.3891000      0.1916000    
 N   -1.624300      -2.690700     -0.4599000    
 C   -1.251200     -0.2605000     -0.2911000    
 C   -2.126500      -1.445400      0.1125000    
 C   -1.808800       1.021000      0.2979000    
 C    1.185600      0.1899000     -0.4362000    
 C    2.493100     -9.8399997E-02  0.2702000    
 H   -1.214100     -0.1516000      -1.382300    
 H   -2.156500      -1.546200       1.203900    
 H   -3.157400      -1.283300     -0.2230000    
 H   0.2530000     -0.8936000       1.060800    
 H   -1.622000      -2.623500      -1.476900    
 H   -2.260800      -3.451100     -0.2247000    
 H   -3.057500       2.447800     -0.1567000    
 H    4.373200      0.3187000      4.8099998E-02


%chk=000107978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107978

0 1
O -2.574445 1.791237 -0.714027
O -1.594825 1.444782 1.369643
O 0.921611 1.580801 -0.665915
O 3.469563 0.729072 0.038306
O 2.627026 -1.392476 0.477958
N 0.082636 -0.522188 -0.089739
N -1.542485 -2.698997 -0.175313
C -1.301666 -0.230862 -0.441080
C -2.185550 -1.405391 0.101278
C -1.781292 1.081776 0.191913
C 1.085484 0.397107 -0.251492
C 2.452491 -0.199730 0.130750
H -1.417267 -0.132997 -1.537595
H -2.263468 -1.290197 1.197100
H -3.202721 -1.294607 -0.328028
H 0.275092 -1.508276 0.148823
H -1.639085 -3.045885 -1.133116
H -1.700626 -3.424943 0.525803
H -2.885563 2.636162 -0.289805
H 4.332991 0.302512 0.293738


