%chk=000031596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031596

0 1
 O  -0.9309000      -2.762100      0.1844000    
 O   -3.123100      0.1226000      0.2002000    
 O    2.880800     -0.1863000     -0.3974000    
 O   0.8989000       1.341300      0.4462000    
 O  -0.9787000       1.407400     -0.8840000    
 O   -6.355100       1.431900     -2.9600000E-02
 O   -4.483200       2.282300      0.7520000    
 O    6.215100      0.8600000     -0.4077000    
 O    4.430700       1.646500      -1.425100    
 N   0.4511000      -2.831700      0.3111000    
 N   -5.118200       1.326200      0.2180000    
 N    4.975200      0.8021000     -0.6552000    
 C  -0.1858000     -0.6714000     -2.6699999E-02
 C   -1.298100      -1.470700     -1.6400000E-02
 C   0.8740000      -1.571000      0.1816000    
 C   -2.657400      -1.095500     -0.1815000    
 C    2.306100      -1.228500      0.2584000    
 C  -0.1557000      0.7502000     -0.2109000    
 C   -3.670200      -1.852600     -0.7222000    
 C    3.244300      -1.910900      0.9973000    
 C   -4.833200      -1.047900     -0.6693000    
 C   -4.448000      0.1436000     -0.1001000    
 C    4.474500      -1.245400      0.7812000    
 C    4.200400     -0.2035000     -7.4000001E-02
 C    1.036400       2.762300      0.3393000    
 C    2.250200       3.201200       1.130300    
 H   -3.591200      -2.858900      -1.109900    
 H    3.077300      -2.779100       1.619900    
 H   -5.826000      -1.310200      -1.006800    
 H    5.437800      -1.498900       1.200900    
 H    1.160500       3.035400     -0.7142000    
 H   0.1371000       3.244700      0.7371000    
 H    2.384800       4.284700       1.068500    
 H    2.144100       2.918800       2.183000    
 H    3.155900       2.713000      0.7635000    


%chk=000031596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031596

0 1
O -0.936800 -2.813358 0.338607
O -2.932336 0.252173 -0.084056
O 2.894887 -0.233608 -0.159673
O 0.599154 1.445877 0.578922
O -0.159263 1.116930 -1.607501
O -6.230429 1.624499 -0.317851
O -4.179921 2.659959 -0.170002
O 6.315239 0.788012 -0.349384
O 4.368961 1.993183 -0.576470
N 0.503914 -2.970018 0.405860
N -4.935959 1.616252 -0.222193
N 5.023393 0.898264 -0.362608
C -0.048263 -0.743008 -0.053990
C -1.230497 -1.466876 0.052332
C 0.995755 -1.715688 0.174487
C -2.622519 -1.120383 -0.035365
C 2.432792 -1.522903 0.158847
C 0.108146 0.692587 -0.461172
C -3.796911 -1.879992 -0.080678
C 3.519149 -2.371503 0.394431
C -4.889599 -0.957830 -0.167012
C -4.325095 0.314098 -0.165989
C 4.709660 -1.592674 0.223740
C 4.287071 -0.308368 -0.107573
C 0.949031 2.875966 0.252699
C 1.528350 3.483124 1.522948
H -3.849953 -2.966037 -0.059489
H 3.450364 -3.423796 0.659971
H -5.951783 -1.179380 -0.223955
H 5.742332 -1.913473 0.330873
H 1.679053 2.852849 -0.574860
H 0.025263 3.376616 -0.086327
H 1.790117 4.540364 1.336391
H 0.801107 3.445896 2.351740
H 2.445992 2.951846 1.826199


