%chk=000128504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128504

1 1
 O   0.6566000      -2.364500      0.2613000    
 O   -3.170000      0.4925000      0.4960000    
 O   -2.054900      -1.989700     -0.5387000    
 O    2.977800      -1.372400      0.2993000    
 N   0.4361000       1.402900     -5.3399999E-02
 C    1.032300      1.3200000E-02  0.3043000    
 C   -1.012200       1.480300      0.4541000    
 C   0.1502000      -1.122800     -0.2432000    
 C   -1.884200      0.3731000     -0.1167000    
 C   -1.311000      -1.005600      0.1849000    
 C    1.209600       2.514900      0.6770000    
 C   0.4875000       1.714900      -1.550500    
 C    2.482200     -0.1369000     -0.1744000    
 H    1.025600     -4.4000000E-02   1.402300    
 H   -1.411500       2.468100      0.1918000    
 H  -0.9801000       1.422500       1.550200    
 H   0.2222000      -1.189800      -1.334500    
 H   -2.040200      0.4949000      -1.194200    
 H   -1.427000      -1.252500       1.247400    
 H    1.251500       2.267200       1.741400    
 H    2.214100       2.590200      0.2546000    
 H   0.6788000       3.460100      0.5248000    
 H    1.532700       1.813400      -1.855000    
 H   5.2999998E-03  0.9114000      -2.109300    
 H  -3.5599999E-02   2.660900      -1.721500    
 H    3.138700      0.6487000      0.2062000    
 H    2.552700     -0.1483000      -1.265800    
 H   0.6181000      -2.332200       1.232500    
 H   -3.524700       1.368200      0.2655000    
 H   -2.987500      -1.897200     -0.2787000    
 H    2.959700      -1.346900       1.271200    


%chk=000128504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128504

1 1
O 0.574650 -2.412512 0.185886
O -3.261912 0.530003 0.446442
O -2.135367 -2.026064 -0.517100
O 3.358230 0.648088 0.265278
N 0.471930 1.382069 0.127667
C 1.002712 -0.081333 0.350659
C -1.026358 1.477144 0.507369
C 0.037796 -1.133447 -0.259365
C -1.935729 0.427367 -0.165073
C -1.420224 -0.971472 0.187173
C 1.211541 2.356543 1.064522
C 0.691152 1.843635 -1.312344
C 2.403059 -0.337854 -0.236815
H 1.030853 -0.207826 1.448349
H -1.348133 2.505611 0.270059
H -1.091029 1.335811 1.600337
H 0.055123 -1.081533 -1.371694
H -1.989119 0.550945 -1.265676
H -1.500540 -1.103588 1.288382
H 1.006835 2.064728 2.105946
H 2.288099 2.281626 0.863139
H 0.825702 3.370755 0.874603
H 1.771762 1.942268 -1.487716
H 0.256781 1.118753 -2.015362
H 0.206536 2.823843 -1.440491
H 2.367282 -0.315427 -1.345783
H 2.659893 -1.368072 0.070793
H -0.076990 -3.119568 -0.065241
H -3.848176 1.152821 -0.051713
H -3.074898 -2.058065 -0.204793
H 4.281339 0.299348 0.211461


