%chk=000049804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049804

0 1
 O   -4.558300       1.963100     -0.2543000    
 O   -2.955900       1.601700      -1.849800    
 O   -2.444200     -0.5444000       1.827900    
 O   0.3523000     -0.3910000       1.691700    
 N   -1.142600     -9.5100001E-02 -6.1000001E-02
 N    1.112200      9.2399999E-02 -0.4780000    
 N    6.673100      0.2103000      0.1320000    
 C   -3.533500     -0.1627000     -0.2674000    
 C   -4.828100     -0.2161000      0.5314000    
 C   -5.060400       1.240600      0.8771000    
 C   -3.472100      -1.265800      -1.318000    
 C   -3.624400       1.204400     -0.9073000    
 C   -2.336500     -0.2918000      0.6311000    
 C   -6.523600       1.578500       1.094500    
 C   -3.455900      -2.622000     -0.6824000    
 C   0.1471000     -0.1542000      0.5039000    
 C   -2.482300      -3.520800     -0.8653000    
 C    2.517900      0.1234000     -0.3235000    
 C    5.271400      0.1805000     -2.1600001E-02
 C    3.315500      0.3873000      -1.425000    
 C    3.068300     -0.1126000      0.9258000    
 C    4.701800      0.4160000      -1.272900    
 C    4.454600     -8.3800003E-02   1.077700    
 C    7.317500     -0.5992000       1.147100    
 C    7.486200       1.061100     -0.7138000    
 H   -4.813200     -0.8481000       1.425100    
 H   -5.650400     -0.5762000     -0.1020000    
 H   -4.477600       1.542400       1.755500    
 H   -4.350800      -1.206800      -1.974700    
 H   -2.613000      -1.144300      -1.989700    
 H   -7.115800       1.369000      0.1970000    
 H   -6.940500       1.013000       1.933000    
 H   -6.639100       2.648000       1.300600    
 H   -4.302600      -2.905400     -6.2600002E-02
 H   -1.187800      0.1335000      -1.049600    
 H   -2.536500      -4.494000     -0.3896000    
 H   -1.619200      -3.304400      -1.485000    
 H   0.7716000      0.2718000      -1.419200    
 H    2.881900      0.5693000      -2.404400    
 H    2.504800     -0.3211000       1.823000    
 H    5.309600      0.6129000      -2.151500    
 H    4.866300     -0.2591000       2.067800    
 H    6.882300      -1.603800       1.195800    
 H    8.383800     -0.7290000      0.9304000    
 H    7.237000     -0.1248000       2.130800    
 H    7.638700      0.6006000      -1.695600    
 H    7.029600       2.048400     -0.8470000    
 H    8.475000       1.229000     -0.2722000    


%chk=000049804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049804

0 1
O -4.393390 1.939409 -0.594704
O -2.662615 1.218854 -1.958720
O -2.455193 -0.717825 1.942124
O 0.449671 -1.256723 1.483595
N -1.145814 -0.245952 0.033817
N 1.109725 0.282995 -0.180736
N 6.810249 0.287810 0.041540
C -3.599687 -0.310842 -0.219048
C -4.891932 -0.112365 0.603462
C -5.106642 1.418574 0.648080
C -3.648951 -1.542834 -1.189175
C -3.480600 0.992910 -1.035473
C -2.341319 -0.447635 0.722987
C -6.551573 1.898238 0.599696
C -3.714390 -2.866961 -0.457318
C 0.185964 -0.468347 0.542541
C -2.839700 -3.886139 -0.636318
C 2.535029 0.245307 -0.077996
C 5.409717 0.276786 0.001118
C 3.279549 1.082490 -0.947406
C 3.237191 -0.577191 0.839886
C 4.684174 1.104671 -0.913244
C 4.643150 -0.560040 0.872101
C 7.521925 -0.571871 0.993118
C 7.561852 1.164180 -0.861840
H -4.782143 -0.534041 1.615683
H -5.745318 -0.596900 0.095384
H -4.561035 1.871371 1.496416
H -4.548813 -1.418079 -1.826659
H -2.773557 -1.520603 -1.863238
H -7.068181 1.496725 -0.289523
H -7.086946 1.551530 1.502376
H -6.602737 2.999526 0.568664
H -4.539639 -2.987478 0.260409
H -1.248980 0.102217 -0.931753
H -2.934378 -4.826260 -0.082448
H -1.993423 -3.804898 -1.329769
H 0.740556 0.979200 -0.833495
H 2.757070 1.728371 -1.666151
H 2.677677 -1.217992 1.524078
H 5.212454 1.768388 -1.603075
H 5.145410 -1.208848 1.595052
H 7.302704 -1.646404 0.823658
H 8.607785 -0.427025 0.877285
H 7.257593 -0.333880 2.044258
H 7.358042 0.932419 -1.928012
H 7.322075 2.235319 -0.695869
H 8.641596 1.030546 -0.689555


