%chk=000080015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080015

0 1
 O    1.035500       1.551500      0.9066000    
 O   -1.098300       1.864700     -0.1348000    
 O    4.686300      -1.095600     -0.7046000    
 O    2.465100      -1.510800       1.849600    
 O   -4.586400      -1.386700      0.2764000    
 O   -2.787100     -0.2341000      -2.381500    
 O    3.643800      0.3248000      -2.013800    
 O    1.476100      -1.675000     -0.1031000    
 O   -3.299100     -0.8743000       1.978800    
 O   -1.529600      -1.400100      -1.011300    
 N    3.822800     -0.2327000     -0.9229000    
 N    2.225400      -1.106800      0.7023000    
 N   -3.662100     -0.7485000      0.8017000    
 N   -2.362900     -0.5163000      -1.251300    
 C    2.928200      0.1739000      0.2493000    
 C   -2.932500      0.2733000     -7.1699999E-02
 C    1.854600       1.175800     -0.1965000    
 C   -1.760600      0.9117000      0.6862000    
 C    3.831400      0.7308000       1.353300    
 C   -3.962400       1.304800     -0.5407000    
 C   1.1900000E-02   2.469600      0.5278000    
 H    1.220100      0.7603000     -0.9903000    
 H    2.333900       2.080200     -0.5939000    
 H   -1.043900      0.1494000       1.017300    
 H   -2.131900       1.427200       1.581800    
 H    4.595600      1.2900000E-02   1.675000    
 H    3.257000       1.012100       2.243400    
 H    4.359200       1.627300       1.006700    
 H   -4.797500      0.8488000      -1.086200    
 H   -3.513400       2.053400      -1.203700    
 H   -4.392000       1.839900      0.3146000    
 H  -0.3466000       2.965500       1.436700    
 H   0.4196000       3.252100     -0.1222000    


%chk=000080015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080015

0 1
O 1.097363 1.639956 1.001258
O -1.112472 1.934021 0.037435
O 4.237564 -1.612095 -0.519134
O 2.723367 -1.013838 2.466600
O -4.246865 -1.636434 -0.395931
O -2.680777 0.390337 -2.620747
O 3.128656 -0.313870 -2.038376
O 1.205602 -1.533315 0.845302
O -3.152151 -1.325187 1.586009
O -1.164449 -0.856425 -1.459879
N 3.443205 -0.663614 -0.846250
N 2.210711 -0.884333 1.307550
N -3.456588 -1.000386 0.384232
N -2.180734 -0.078467 -1.547088
C 2.847435 0.184578 0.327050
C -2.851007 0.332637 -0.171101
C 1.700820 1.053984 -0.208521
C -1.726676 0.806237 0.760415
C 3.979064 0.931996 1.020293
C -3.979520 1.327579 -0.407307
C -0.000347 2.551199 0.736242
H 0.970103 0.436657 -0.760120
H 2.102336 1.839174 -0.876949
H -0.995686 -0.003426 0.931314
H -2.150298 1.133158 1.729036
H 4.722938 0.229331 1.424599
H 3.558446 1.528782 1.844494
H 4.467231 1.609674 0.298421
H -4.700650 0.935748 -1.139949
H -3.549951 2.268085 -0.785821
H -4.496825 1.527794 0.547145
H -0.293356 2.910829 1.739941
H 0.303712 3.378734 0.068837


