%chk=000048457.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048457

0 1
 O    1.478000       2.224800      0.6469000    
 O  -0.5794000      -1.754600       1.814800    
 O    2.825800      -1.799500      -1.242500    
 N    2.087100      0.2786000     -0.4758000    
 N    1.082500      -1.740800      0.2336000    
 C  -4.8500001E-02  0.3578000      0.7526000    
 C   -1.047600      0.5064000     -0.4091000    
 C   -2.419800     -0.1021000     -7.8100003E-02
 C    1.243900       1.056100      0.3342000    
 C  -0.6282000       1.039200       2.002400    
 C   0.1209000      -1.128800       1.020200    
 C   -1.202700       1.985700     -0.7602000    
 C   -3.416100     -3.3799998E-02  -1.237900    
 C    2.046500      -1.126500     -0.5627000    
 C   -4.727800     -0.7179000     -0.8828000    
 C    3.185300      0.9554000      -1.155500    
 H  -0.6578000     -4.9999999E-03  -1.300200    
 H   -2.881700      0.4053000      0.7756000    
 H   -2.315300      -1.157500      0.1917000    
 H   -1.537500      0.5642000       2.382500    
 H   0.1008000      0.9679000       2.821300    
 H  -0.8223000       2.107900       1.875100    
 H   -1.794600       2.094700      -1.676100    
 H  -0.2618000       2.486200     -0.9983000    
 H   -1.724500       2.559900      1.0700000E-02
 H   -2.988700     -0.5114000      -2.126900    
 H   -3.642400       1.005000      -1.497600    
 H    1.127200      -2.754800      0.2858000    
 H   -4.569200      -1.776200     -0.6521000    
 H   -5.196400     -0.2429000     -1.4900000E-02
 H   -5.427000     -0.6556000      -1.722600    
 H    2.948900       2.008700      -1.331200    
 H    3.399200      0.4694000      -2.111900    
 H    4.073200      0.8878000     -0.5193000    


%chk=000048457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048457

0 1
O 1.556265 2.188686 0.763532
O -0.580001 -1.930064 1.677614
O 2.794758 -1.701695 -1.487066
N 2.102857 0.315470 -0.486931
N 1.041969 -1.751191 0.040822
C -0.059528 0.333711 0.820151
C -1.109420 0.581725 -0.385211
C -2.531308 0.069873 -0.017920
C 1.256282 1.018870 0.410509
C -0.560144 0.915624 2.158093
C 0.104585 -1.187541 0.927381
C -1.146147 2.064930 -0.824742
C -3.393743 -0.251483 -1.263462
C 2.023335 -1.078064 -0.713432
C -4.817305 -0.713668 -0.884099
C 3.236210 1.056613 -1.091695
H -0.743816 -0.020313 -1.244734
H -3.048181 0.835738 0.594554
H -2.468477 -0.842721 0.604955
H -1.469358 0.388609 2.483244
H 0.204415 0.792822 2.944318
H -0.764537 1.992663 2.059094
H -1.942135 2.204299 -1.577617
H -0.197072 2.399288 -1.277547
H -1.364948 2.734164 0.025654
H -2.893070 -1.044350 -1.856012
H -3.461079 0.636505 -1.922777
H 1.074765 -2.774149 -0.018308
H -4.784071 -1.615896 -0.245277
H -5.354494 0.074308 -0.323465
H -5.414184 -0.956033 -1.782237
H 2.860549 1.976391 -1.566674
H 3.711702 0.400931 -1.834604
H 3.965326 1.339548 -0.314414


