%chk=000027472.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027472

0 1
 O   -2.790300     -0.2677000     -0.4653000    
 O  -0.6407000     -0.1627000      -1.051300    
 O   -1.202200     -0.6657000       1.157300    
 O    1.419600       3.092800      0.2864000    
 O  -0.4558000       2.225400     -0.4552000    
 O    5.268200      -1.777300      0.3005000    
 O    5.338800      0.3582000      0.8042000    
 N   0.7500000       2.117600     -0.1291000    
 N    4.718900     -0.6533000      0.3956000    
 C   -5.170200     -0.2936000     -0.2038000    
 C   -6.331700     -0.4848000      0.7672000    
 C   -3.825400     -0.4726000      0.4862000    
 C   -7.671500     -0.2627000      8.3899997E-02
 C   0.7033000     -0.2665000     -0.6829000    
 C    1.379500      0.8468000     -0.2345000    
 C    3.353300     -0.5216000      2.8700000E-02
 C    2.720900      0.7180000      0.1259000    
 C    1.303100      -1.503500     -0.7892000    
 C    2.644300      -1.632200     -0.4288000    
 C   -1.512000     -0.3947000      4.1000000E-03
 H   -5.250100      -1.003100      -1.036900    
 H   -5.214100      0.7052000     -0.6562000    
 H   -6.236900      0.2162000       1.604700    
 H   -6.303600      -1.497100       1.186600    
 H   -3.721200      0.2551000       1.299700    
 H   -3.747400      -1.485400      0.8987000    
 H   -7.744400      0.7535000     -0.3163000    
 H   -7.812500     -0.9681000     -0.7413000    
 H   -8.489200     -0.4063000      0.7971000    
 H    3.276100       1.582300      0.4831000    
 H   0.7521000      -2.368000      -1.146400    
 H    3.104100      -2.613300     -0.5177000    


%chk=000027472-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027472

0 1
O -2.792418 -0.648555 -0.242886
O -0.632904 -0.924367 -0.704686
O -1.263791 -0.500805 1.536599
O 1.049778 2.680400 1.001427
O -0.731150 1.792462 -0.103853
O 5.710845 -1.279749 -0.396027
O 5.432108 0.821488 0.453393
N 0.480849 1.736102 0.338255
N 4.977810 -0.280861 -0.035377
C -5.209134 -0.388159 -0.172836
C -6.473371 -0.107914 0.675862
C -3.949123 -0.383793 0.686977
C -7.756920 -0.095670 -0.181682
C 0.724861 -0.681712 -0.484116
C 1.287878 0.529652 0.021079
C 3.507443 -0.416259 -0.198101
C 2.682812 0.653543 0.180813
C 1.590419 -1.733896 -0.866619
C 2.980968 -1.613149 -0.735059
C -1.569118 -0.637819 0.340845
H -5.306110 -1.367468 -0.678833
H -5.110931 0.378458 -0.964334
H -6.364956 0.867234 1.192038
H -6.566786 -0.875752 1.470421
H -3.770157 0.591672 1.173846
H -3.955474 -1.176485 1.457384
H -7.706093 0.688121 -0.960010
H -7.904589 -1.066573 -0.690272
H -8.649966 0.100737 0.438404
H 3.107469 1.577280 0.582542
H 1.133773 -2.647051 -1.257271
H 3.658981 -2.420213 -1.022922


