%chk=000005060.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005060

0 1
 O   -3.634300      -1.505900      -1.350600    
 O   -4.881200      0.4885000      0.1304000    
 N    4.903600       1.245500     -0.9126000    
 N   0.8188000      -1.343800       2.377700    
 C  -0.7583000      0.5211000     -0.3589000    
 C   -1.517700     -0.4944000     -0.9402000    
 C   -2.903200     -0.5087000     -0.7787000    
 C   -3.529100      0.4924000     -3.5799999E-02
 C   -1.384400       1.522200      0.3839000    
 C   0.6861000      0.5370000     -0.5278000    
 C   -2.769700       1.507900      0.5454000    
 C    1.608400     -4.3800000E-02  0.2815000    
 C    3.057800      2.8000001E-02  1.2600000E-02
 C    3.887700     -0.9979000      0.4098000    
 C    3.586700       1.117300     -0.6352000    
 C    5.248800     -0.9022000      0.1423000    
 C   -3.851300      -2.679700     -0.5701000    
 C   -5.442300       1.547400      0.9037000    
 C    5.702500      0.2297000     -0.5156000    
 C    1.171100     -0.7607000       1.438000    
 H   -1.037500      -1.278300      -1.522200    
 H  -0.8052000       2.320400      0.8423000    
 H   0.9950000       1.062300      -1.429400    
 H   -3.187200       2.316900       1.134900    
 H    3.522300      -1.888300      0.9127000    
 H    2.994400       1.968300     -0.9541000    
 H    5.932900      -1.690100      0.4362000    
 H   -4.453500      -3.376500      -1.159400    
 H   -4.395200      -2.437000      0.3483000    
 H   -2.898200      -3.159700     -0.3266000    
 H   -6.525100       1.387000      0.9317000    
 H   -5.277600       2.522400      0.4325000    
 H   -5.090200       1.520300       1.940500    
 H    6.755100      0.3520000     -0.7488000    


%chk=000005060-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005060

0 1
O -3.654223 -0.918166 -2.020810
O -4.912387 0.296595 0.229269
N 4.854290 -0.163770 -1.838141
N 1.671113 1.365202 2.914782
C -0.662753 0.080557 -0.032486
C -1.525480 -0.469366 -1.030125
C -2.925034 -0.417825 -0.931708
C -3.516757 0.222015 0.205907
C -1.274094 0.690865 1.102294
C 0.773931 -0.035205 -0.269744
C -2.673411 0.755697 1.213558
C 1.869922 0.336468 0.495355
C 3.272410 0.149252 0.025101
C 4.358285 0.086355 0.942257
C 3.596911 0.042328 -1.360341
C 5.667888 -0.115370 0.461675
C -4.756079 -1.865872 -1.745295
C -5.543705 1.017345 1.343117
C 5.872445 -0.252014 -0.929863
C 1.731108 0.900862 1.811558
H -1.108464 -0.951248 -1.921626
H -0.666953 1.121907 1.900428
H 1.020130 -0.518338 -1.225174
H -3.109326 1.241307 2.091506
H 4.174341 0.188251 2.017454
H 2.822136 0.156621 -2.127594
H 6.515701 -0.170714 1.151407
H -5.121451 -2.164715 -2.739222
H -5.558111 -1.383349 -1.164328
H -4.373624 -2.752239 -1.203339
H -6.621645 0.979571 1.130281
H -5.204110 2.069417 1.376535
H -5.334405 0.522587 2.310341
H 6.871402 -0.425411 -1.344629


