%chk=000044963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044963

0 1
 O  -0.9980000      0.3841000     -0.7582000    
 O   -1.397300      0.7810000       1.487300    
 N   0.4069000      -1.946100     -4.1400000E-02
 N   -3.184000      0.4965000      2.5699999E-02
 C    1.050200     -0.6917000     -0.1227000    
 C   0.3694000      0.4529000     -0.4721000    
 C    2.413500     -0.6015000      0.1580000    
 C    3.061200      0.6315000      8.1699997E-02
 C   0.9821000       1.684100     -0.5556000    
 C    2.345600       1.774400     -0.2750000    
 C   0.3871000      -2.679300       1.207600    
 C  -0.2527000      -2.507400      -1.202600    
 C    4.519000      0.7282000      0.3807000    
 C   -1.825500      0.5725000      0.3527000    
 C   -4.195800      0.6684000       1.058300    
 C   -3.681600      0.2523000      -1.324300    
 H    2.977800      -1.491000      0.4289000    
 H   0.4257000       2.573400     -0.8346000    
 H    2.838800       2.740600     -0.3401000    
 H  -0.3870000      -3.454400       1.199800    
 H    1.350300      -3.168900       1.383800    
 H   0.1726000      -2.013000       2.050500    
 H   -1.321500      -2.271500      -1.189800    
 H   0.1785000      -2.129500      -2.136600    
 H  -0.1483000      -3.597900      -1.216600    
 H    4.811500      6.3000000E-03   1.150800    
 H    5.101900      0.5324000     -0.5248000    
 H    4.781900       1.722400      0.7578000    
 H   -4.808000     -0.2369000       1.105500    
 H   -4.825200       1.523500      0.7956000    
 H   -3.746800      0.8452000       2.038800    
 H   -4.305500       1.099200      -1.624600    
 H   -4.286000     -0.6594000      -1.313200    
 H   -2.877400      0.1318000      -2.052400    


%chk=000044963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044963

0 1
O -1.075392 0.458773 -0.773414
O -1.590483 0.848934 1.506976
N 0.284165 -1.908618 0.230828
N -3.282109 0.561742 -0.099653
C 0.981056 -0.696095 0.017868
C 0.325391 0.477737 -0.469156
C 2.366784 -0.563145 0.330198
C 3.077702 0.646854 0.150478
C 1.018031 1.679787 -0.671432
C 2.393427 1.773985 -0.367551
C 0.888952 -2.923820 1.101502
C -0.569262 -2.468736 -0.835163
C 4.562732 0.720483 0.469072
C -1.971787 0.638979 0.331867
C -4.356550 0.724486 0.891322
C -3.692096 0.358747 -1.496726
H 2.910441 -1.435637 0.707941
H 0.457388 2.546756 -1.036462
H 2.924171 2.720941 -0.515801
H 0.108693 -3.650151 1.392203
H 1.716422 -3.493215 0.615408
H 1.277996 -2.455319 2.021146
H -1.374863 -3.080901 -0.387824
H -1.029389 -1.660148 -1.419193
H 0.013925 -3.118016 -1.528123
H 4.843865 0.008402 1.264999
H 5.175749 0.479313 -0.421431
H 4.852042 1.733408 0.800695
H -5.008328 -0.170428 0.907008
H -4.978259 1.608813 0.650406
H -3.905271 0.861382 1.885189
H -4.344146 1.191387 -1.826585
H -4.260183 -0.586798 -1.602821
H -2.807413 0.322320 -2.144871


