%chk=000045990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045990

1 1
 O    2.133400     -0.3093000     -0.7880000    
 O    2.469000      6.5499999E-02   1.470500    
 N   -3.372500     -0.5541000      0.1999000    
 N    4.315000     -2.8400000E-02  5.8699999E-02
 C   -1.868700     -0.4703000     -7.3399998E-02
 C   -1.345000      0.7440000     -0.3664000    
 C   -3.735600      -2.004500      0.5052000    
 C   -4.123800     -5.3700000E-02  -1.030700    
 C   -3.791100      0.3026000       1.393000    
 C   -1.182300      -1.638000      3.8000001E-03
 C   -2.144400       2.003800     -0.4385000    
 C   2.7000001E-02  0.7996000     -0.6118000    
 C   0.1897000      -1.582300     -0.2416000    
 C   0.7944000     -0.3635000     -0.5493000    
 C   -1.460400       3.164600      0.2770000    
 C    2.946200     -7.7200003E-02  0.3453000    
 C    5.278100      0.2037000       1.125600    
 C    4.871000     -0.2026000      -1.279300    
 H   -3.232900      -2.341900       1.418600    
 H   -4.815800      -2.032400      0.6963000    
 H   -3.551100      -2.630000     -0.3752000    
 H   -3.618200     -0.4211000      -1.930400    
 H   -5.124700     -0.5006000     -0.9985000    
 H   -4.274900       1.022100      -1.071800    
 H   -4.594900      0.9911000       1.113900    
 H   -4.188300     -0.3553000       2.174900    
 H   -2.931100      0.8204000       1.827400    
 H   -1.554400      -2.625800      0.2314000    
 H   -2.287600       2.269800      -1.493300    
 H   -3.119100       2.008800      2.2600001E-02
 H   0.5203000       1.729700     -0.8781000    
 H   0.7836000      -2.491300     -0.1925000    
 H   -1.203100       2.905100       1.309900    
 H   -2.132100       4.030200      0.3076000    
 H  -0.5511000       3.496100     -0.2334000    
 H    4.786900      0.3252000       2.094200    
 H    5.844400       1.111300      0.8975000    
 H    5.959400     -0.6506000       1.176700    
 H    5.431500      0.6984000      -1.544900    
 H    4.097000     -0.3714000      -2.030200    
 H    5.546600      -1.062900      -1.267700    


%chk=000045990-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045990

1 1
O 2.251258 -0.575544 -0.224893
O 2.773037 1.713732 0.187264
N -3.509440 -0.558296 -0.054916
N 4.450393 0.121608 -0.223440
C -1.969717 -0.466190 -0.066813
C -1.288704 0.789265 -0.059937
C -4.020895 -2.002785 -0.001717
C -4.082762 0.047438 -1.346724
C -4.086633 0.134419 1.189430
C -1.237050 -1.678886 -0.115492
C -1.869778 2.207901 0.032517
C 0.130936 0.763959 -0.109857
C 0.164414 -1.677396 -0.152992
C 0.858611 -0.445578 -0.151509
C -1.629916 2.859507 1.423384
C 3.162213 0.546112 -0.064826
C 5.535406 1.115761 -0.082563
C 4.867515 -1.263502 -0.514282
H -3.651550 -2.494375 0.909258
H -5.120593 -1.963767 0.021104
H -3.695597 -2.549379 -0.897502
H -3.696296 -0.534201 -2.196453
H -5.182163 -0.010017 -1.310187
H -3.763242 1.090250 -1.446289
H -5.183085 0.031049 1.173625
H -3.667772 -0.359470 2.078472
H -3.812199 1.193257 1.194367
H -1.729156 -2.652017 -0.122630
H -1.358373 2.827735 -0.727053
H -2.942679 2.274622 -0.213911
H 0.678264 1.708412 -0.103050
H 0.725928 -2.614351 -0.186914
H -2.123329 2.300875 2.239768
H -2.016131 3.893617 1.431665
H -0.552754 2.898599 1.657173
H 5.102178 2.101434 0.138430
H 6.118239 1.174666 -1.019744
H 6.212266 0.822043 0.740284
H 5.456859 -1.286255 -1.449426
H 3.991870 -1.913315 -0.626188
H 5.500826 -1.646136 0.307569


