%chk=000025654.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025654

0 1
 O   -3.396100      0.9089000      -1.546900    
 O    3.168300      -2.082800      0.1949000    
 O    7.724100     -0.9821000     -2.0199999E-02
 O   -7.027200      -2.738600     -0.9445000    
 O   -8.576100       1.427100      0.7969000    
 N    2.668500      0.8420000     -0.1860000    
 N   -1.511100      0.5406000      0.5981000    
 N    6.169400      0.7371000     -0.2244000    
 N    5.455800      -1.556100      9.0000004E-02
 N    4.307800       2.336400     -0.4081000    
 C    1.324700      0.3227000     -9.6199997E-02
 C   0.8111000      0.3008000       1.343100    
 C    3.837500      0.1406000     -0.1112000    
 C  -0.6063000     -0.2634000       1.411000    
 C    4.824100       1.078300     -0.2497000    
 C   -2.865200      7.0000002E-03  0.6460000    
 C    3.003400       2.159400     -0.3649000    
 C    4.067800      -1.256100      7.0699997E-02
 C   -3.821500      0.8709000     -0.1853000    
 C    6.542600     -0.6192000     -5.0799999E-02
 C   -5.233600      0.3292000     -0.1460000    
 C    7.190700       1.766000     -0.3752000    
 C    5.819600      -2.957700      0.2712000    
 C   -6.256300       1.141700      0.3122000    
 C   -5.472500     -0.9670000     -0.5686000    
 C   -6.774300      -1.466300     -0.5320000    
 C   -7.558200      0.6422000      0.3489000    
 C   -7.817100     -0.6617000     -7.3100001E-02
 H   0.7020000      0.9668000     -0.7288000    
 H    1.301900     -0.6730000     -0.5494000    
 H    1.471400     -0.3133000       1.967800    
 H   0.8343000       1.313000       1.767200    
 H  -0.9338000     -0.2690000       2.457400    
 H  -0.5963000      -1.301700       1.057800    
 H   -2.836700      -1.015500      0.2519000    
 H   -3.222900     -4.0500000E-02   1.682400    
 H   -1.507100       1.504700      0.9297000    
 H    2.259800       2.939700     -0.4550000    
 H   -3.804500       1.903000      0.1867000    
 H    7.054800       2.262000      -1.341200    
 H    8.198100       1.344100     -0.3343000    
 H    7.080900       2.496200      0.4326000    
 H    4.950900      -3.612200      0.3704000    
 H    6.441000      -3.043700       1.168300    
 H    6.416400      -3.277300     -0.5891000    
 H   -6.061200       2.158200      0.6426000    
 H   -4.667900      -1.594100     -0.9419000    
 H   -2.474600       1.219800      -1.554300    
 H   -8.829600      -1.057300     -4.7200002E-02
 H   -6.192900      -3.150500      -1.227600    
 H   -9.406200      0.9220000      0.7538000    


%chk=000025654-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025654

0 1
O -3.084529 0.928373 -1.245946
O 3.180638 -2.068538 0.778446
O 7.726584 -0.947731 0.209495
O -7.172373 -1.778364 -2.460923
O -8.380479 0.299499 1.763999
N 2.575760 0.733856 -0.480304
N -1.573843 0.703166 0.982141
N 6.138935 0.638641 -0.477570
N 5.457581 -1.475597 0.476698
N 4.273294 2.129166 -1.131065
C 1.210304 0.241384 -0.199018
C 0.872772 0.267742 1.307895
C 3.782122 0.075401 -0.184699
C -0.565515 -0.211260 1.583215
C 4.795630 0.957145 -0.600838
C -2.989093 0.258693 1.095300
C 2.927479 1.951651 -1.038006
C 4.045372 -1.221214 0.385046
C -3.822710 1.010284 0.012238
C 6.517308 -0.607600 0.074514
C -5.212606 0.410101 -0.141386
C 7.177375 1.588911 -0.923016
C 5.889452 -2.774605 1.043508
C -6.184136 0.636978 0.859696
C -5.514663 -0.394499 -1.263090
C -6.798766 -0.975107 -1.368299
C -7.458132 0.038800 0.733842
C -7.781677 -0.773084 -0.375636
H 0.503320 0.873550 -0.762926
H 1.130732 -0.794371 -0.572183
H 1.572215 -0.402033 1.839289
H 1.016761 1.292636 1.705971
H -0.703220 -0.321889 2.683210
H -0.714890 -1.215085 1.141227
H -3.020778 -0.823868 0.873453
H -3.431496 0.412230 2.102902
H -1.456930 1.661650 1.347455
H 2.188267 2.677309 -1.369300
H -3.921569 2.077235 0.319540
H 7.056675 1.802795 -1.998027
H 8.155955 1.124869 -0.733536
H 7.088032 2.535184 -0.363860
H 4.980878 -3.338040 1.300569
H 6.509870 -2.608575 1.939266
H 6.492225 -3.326926 0.304442
H -5.984836 1.274655 1.726846
H -4.748218 -0.526190 -2.034509
H -2.124969 0.885690 -0.942084
H -8.766998 -1.237925 -0.493437
H -6.429243 -1.841392 -3.110912
H -9.246171 -0.142399 1.580067


