%chk=000048469.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048469

0 1
 O  -0.5608000       1.012400       2.078200    
 O   0.7006000      -2.370700     -0.9242000    
 O    3.428200       1.243200     -0.1781000    
 N    1.386300       1.174200      0.8760000    
 N    2.016100     -0.5153000     -0.6243000    
 C  -0.3074000     -0.4506000      0.1610000    
 C   -1.063700      0.2705000     -0.9690000    
 C   -1.258800      -1.429500      0.8643000    
 C   0.1449000      0.6196000       1.149500    
 C   0.8333000      -1.226900     -0.4895000    
 C  -0.1282000       1.278800      -1.650400    
 C   -1.548300     -0.7585000      -1.999700    
 C  -0.5847000      -2.081200       2.050600    
 C   -2.229000      0.9854000     -0.4017000    
 C    2.345400      0.6824000     -1.2000001E-03
 C   -3.173900       1.566200      5.8499999E-02
 H   -1.581500      -2.243100      0.2064000    
 H   -2.168500     -0.9465000       1.237000    
 H   0.7210000      0.8323000      -2.171500    
 H  -0.6903000       1.780000      -2.453700    
 H   0.1911000       2.109300      -1.015600    
 H  -0.7378000      -1.270900      -2.525100    
 H   -2.240300      -1.502500      -1.595500    
 H   -2.118700     -0.2447000      -2.786700    
 H   0.3309000      -2.611300       1.771100    
 H  -0.3376000      -1.372400       2.845500    
 H   -1.259900      -2.823000       2.492400    
 H    1.655500       1.981100       1.432000    
 H    2.749600     -0.9538000      -1.174100    
 H   -4.011500       2.081000      0.4677000    


%chk=000048469-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048469

0 1
O -0.629310 1.104504 2.035131
O 0.798374 -2.242743 -1.137688
O 3.651517 1.135561 0.257199
N 1.441854 1.168843 1.027196
N 2.154114 -0.509714 -0.462924
C -0.295482 -0.433295 0.135051
C -1.165930 0.296305 -1.049400
C -1.165911 -1.492373 0.881778
C 0.131582 0.651845 1.145405
C 0.898904 -1.144302 -0.529333
C -0.270122 1.275963 -1.870158
C -1.777597 -0.758530 -2.023823
C -0.448277 -2.172700 2.066978
C -2.279571 1.063176 -0.446361
C 2.496041 0.643643 0.265598
C -3.238869 1.718620 -0.036365
H -1.459202 -2.263830 0.150901
H -2.076500 -0.979671 1.237625
H 0.529224 0.729434 -2.401629
H -0.891338 1.784817 -2.626139
H 0.186098 2.054663 -1.235721
H -1.001940 -1.427341 -2.430159
H -2.549514 -1.370653 -1.531298
H -2.259948 -0.220409 -2.858443
H 0.461218 -2.709464 1.739450
H -0.172741 -1.446035 2.851406
H -1.119224 -2.918026 2.529773
H 1.684193 1.949910 1.646014
H 2.926359 -0.964412 -0.961702
H -4.056001 2.291714 0.361539