%chk=000039368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039368

0 1
 O    2.878800      -1.494500      0.1323000    
 O   -1.304400      -2.040100      -1.076200    
 O    1.417300      -3.370300      0.1833000    
 O   -3.579600       1.003400     -0.3458000    
 O   -3.504100     -0.9158000      0.7322000    
 O    2.398300       2.538700     -6.1799999E-02
 O   0.4418000       3.573200      1.3800000E-02
 N    1.560300      -2.113500      0.1044000    
 N    2.605200     -0.1245000      6.2000002E-03
 N   -2.976400      4.7300000E-02  0.1598000    
 N    1.161300       2.565900     -1.6400000E-02
 C  -0.8850000      -1.289600      5.9200000E-02
 C   0.5737000      -1.078600      3.0000001E-04
 C    1.256100      6.5399997E-02 -2.6600000E-02
 C   -1.555800      5.6400001E-02  7.6499999E-02
 C   0.4961000       1.306700      2.4999999E-03
 C  -0.9835000       1.269900      5.6400001E-02
 H   -1.135000      -1.855900      0.9642000    
 H   -1.536000       2.200900      9.7499996E-02
 H    3.256500      0.5593000      0.3659000    
 H  -0.8532000      -2.901300      -1.044500    


%chk=000039368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039368

0 1
O 3.052737 -1.374086 0.233113
O -1.066055 -2.148753 -1.121895
O 1.577890 -3.380440 0.357653
O -3.676339 0.991487 0.153410
O -3.488909 -1.291426 0.045851
O 2.527984 2.549809 -0.049686
O 0.522832 3.672701 -0.131725
N 1.558637 -2.143509 0.266777
N 2.643375 -0.021155 0.131782
N -2.970396 -0.085364 0.099951
N 1.201428 2.580433 -0.059209
C -0.831975 -1.371744 0.107428
C 0.658086 -1.148661 0.188220
C 1.297830 0.132395 0.100956
C -1.521507 -0.012412 0.094474
C 0.530903 1.319925 0.017389
C -0.894940 1.215324 0.021599
H -1.189758 -1.957609 0.980190
H -1.493628 2.131457 -0.024064
H 3.321618 0.757913 0.063608
H -2.027412 -2.413288 -1.092621


