%chk=000017298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017298

0 1
 O   -2.512900     -0.5696000     -0.2844000    
 O   -1.150900      -1.640900       1.212500    
 N  -0.6232000      0.4993000      0.4674000    
 C  -0.9880000       1.625000     -0.3679000    
 C   -2.331900       2.250200     -0.2418000    
 C   -1.108500       2.986600      0.2193000    
 C   0.6005000      0.6286000       1.245100    
 C   -1.408600     -0.6558000      0.5240000    
 C    1.802100      0.1302000      0.4872000    
 C    2.175700      -1.202000      0.5979000    
 C    2.519600       1.009800     -0.3113000    
 C   -3.377900      -1.711000     -0.2914000    
 C    3.289300      -1.663700     -0.1040000    
 C    3.633100      0.5481000      -1.013300    
 C    4.017900     -0.7886000     -0.9096000    
 C   -4.536100      -1.446200      -1.229600    
 H  -0.5720000       1.550300      -1.367200    
 H   -3.015600       1.913300      0.5280000    
 H   -2.816800       2.595000      -1.147000    
 H  -0.7703000       3.825500     -0.3769000    
 H   -1.001000       3.129700       1.287300    
 H   0.4905000      5.3199999E-02   2.173300    
 H   0.7525000       1.667100       1.558300    
 H    1.620200      -1.893100       1.224800    
 H    2.228600       2.052700     -0.3992000    
 H   -2.819100      -2.589800     -0.6319000    
 H   -3.755300      -1.888300      0.7217000    
 H    3.589600      -2.704200     -2.2500001E-02
 H    4.200400       1.229300      -1.640700    
 H    4.885000      -1.148100      -1.455900    
 H   -5.219100      -2.299700      -1.258800    
 H   -5.092700     -0.5580000     -0.9129000    
 H   -4.173000      -1.248500      -2.243500    


%chk=000017298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017298

0 1
O -2.562660 -0.595786 -0.204349
O -1.254503 -1.570296 1.482169
N -0.730968 0.555630 0.622176
C -0.942909 1.569819 -0.397767
C -2.241481 2.373944 -0.422114
C -0.938655 3.048438 0.027182
C 0.547941 0.581837 1.388250
C -1.486417 -0.606506 0.697627
C 1.751570 0.148511 0.554385
C 2.006571 -1.230623 0.332238
C 2.619584 1.108732 -0.022410
C -3.427018 -1.810348 -0.149028
C 3.106396 -1.636650 -0.455167
C 3.722198 0.704314 -0.809922
C 3.967604 -0.670723 -1.028819
C -4.521751 -1.610563 -1.192991
H -0.489252 1.340445 -1.370195
H -2.983013 2.141549 0.345428
H -2.659403 2.621254 -1.401618
H -0.454286 3.769054 -0.637804
H -0.839966 3.270554 1.094058
H 0.412466 -0.091236 2.250881
H 0.692589 1.611521 1.759191
H 1.337654 -1.974822 0.780443
H 2.431664 2.176575 0.148569
H -2.802239 -2.697733 -0.357349
H -3.832427 -1.910791 0.874168
H 3.296779 -2.703810 -0.616892
H 4.388185 1.456762 -1.247631
H 4.823214 -0.987202 -1.636240
H -5.196315 -2.486351 -1.199052
H -5.120985 -0.711220 -0.968990
H -4.088066 -1.497877 -2.201427


