%chk=000048585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048585

0 1
 O   -1.501700      0.2607000      6.8999999E-03
 O    3.439600       1.127600      -2.134000    
 O    2.179800      0.2523000       2.304100    
 O    4.068600      -3.027200     -0.2908000    
 N    3.662300     -0.9742000      -1.242100    
 N    3.032400      -1.411700      0.9747000    
 C    2.229900      0.6492000     -8.7600000E-02
 C   0.8084000      0.2965000     -0.5609000    
 C    2.301500       2.150100      0.2288000    
 C    3.177000      0.3251000      -1.238600    
 C    2.489200     -0.1528000       1.183800    
 C  -0.2206000      0.6274000      0.5000000    
 C    3.710400       2.559100      0.5952000    
 C    3.604400      -1.889700     -0.1981000    
 C   -2.527400      0.5605000      0.9441000    
 C   -3.851500      0.1521000      0.3684000    
 C   -4.584700       1.062100     -0.3850000    
 C   -4.333100      -1.132800      0.5931000    
 C   -5.815500      0.6825000     -0.9204000    
 C   -5.563900      -1.512300      5.7500001E-02
 C   -6.305000     -0.6046000     -0.6992000    
 H   0.7305000     -0.7693000     -0.8161000    
 H   0.5625000      0.8284000      -1.490200    
 H    1.664100       2.428000       1.075000    
 H    1.968900       2.747800     -0.6293000    
 H  -5.4699998E-02  6.7500003E-02   1.423600    
 H  -0.2454000       1.697500      0.7224000    
 H    4.096800       2.001300       1.453700    
 H    4.418200       2.445700     -0.2301000    
 H    3.721500       3.619400      0.8724000    
 H    4.184100      -1.261800      -2.065200    
 H    3.089900      -2.021700       1.785400    
 H   -2.530300       1.634500       1.169600    
 H   -2.345500      2.7200000E-02   1.885700    
 H   -4.211800       2.066500     -0.5654000    
 H   -3.763100      -1.848400       1.179200    
 H   -6.392400       1.388900      -1.510100    
 H   -5.945100      -2.514800      0.2291000    
 H   -7.263200     -0.9003000      -1.116500    


%chk=000048585-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048585

0 1
O -1.583319 0.392233 0.073849
O 3.126571 1.136718 -2.275956
O 2.208625 -0.033070 2.337460
O 4.320866 -3.003744 -0.537780
N 3.662844 -0.926123 -1.386645
N 3.183977 -1.505708 0.852399
C 2.253188 0.658443 -0.026820
C 0.741113 0.444090 -0.445308
C 2.515407 2.135692 0.396636
C 3.054737 0.341395 -1.305254
C 2.551195 -0.283627 1.152116
C -0.297217 0.872379 0.602206
C 3.994056 2.444366 0.709568
C 3.756435 -1.895128 -0.372321
C -2.711080 0.769465 0.957851
C -3.988157 0.217412 0.367070
C -4.732924 0.974216 -0.571705
C -4.451210 -1.071245 0.732181
C -5.917494 0.453074 -1.138257
C -5.635563 -1.596585 0.168864
C -6.372080 -0.834178 -0.767692
H 0.560469 -0.622526 -0.681095
H 0.574328 1.017733 -1.375028
H 1.902011 2.343921 1.290285
H 2.161557 2.783135 -0.425793
H -0.092421 0.422170 1.595607
H -0.324015 1.977371 0.718200
H 4.370674 1.822256 1.542385
H 4.639236 2.285952 -0.173343
H 4.104617 3.500488 1.012958
H 4.117245 -1.167458 -2.273789
H 3.296288 -2.171514 1.624333
H -2.754929 1.878057 1.037085
H -2.530449 0.356301 1.974277
H -4.379066 1.970822 -0.862570
H -3.878540 -1.664827 1.455186
H -6.485031 1.047189 -1.863229
H -5.984349 -2.594031 0.458907
H -7.292493 -1.238815 -1.203739


