%chk=000039393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039393

0 1
 O   -2.941600       1.713200      0.3184000    
 O   -4.184500     -0.1264000      0.8733000    
 O  -0.6061000       1.866800       1.474000    
 N   0.5039000       2.408500     -0.4991000    
 C   -2.533000     -0.2659000     -0.9005000    
 C   -1.832800      0.8996000      -1.583700    
 C   -1.854000       2.005000     -0.5538000    
 C   -3.327000      0.4088000      0.1860000    
 C   -1.586200      -1.339400     -0.4150000    
 C  -0.6019000       2.073100      0.2634000    
 C   -1.275800      -2.425900      -1.236900    
 C   -1.016300      -1.250000      0.8576000    
 C    1.829500       2.561300      5.5500001E-02
 C  -0.4018000      -3.416400     -0.7892000    
 C  -0.1422000      -2.240600       1.305300    
 C    2.596500       1.265800      4.0700000E-02
 C   0.1650000      -3.323800      0.4818000    
 C    2.515700      0.4114000       1.131500    
 C    3.373100      0.9438000      -1.063700    
 C    3.226100     -0.7889000       1.117900    
 C    4.083400     -0.2567000      -1.077300    
 C    4.009800      -1.123000      1.3600000E-02
 H   -3.255300     -0.7089000      -1.598400    
 H   -2.443800       1.215100      -2.440000    
 H  -0.8416000      0.6524000      -1.977000    
 H   -2.025200       2.981800      -1.019600    
 H   -1.709000      -2.508600      -2.230300    
 H   -1.260900     -0.4474000       1.541900    
 H   0.3928000       2.563500      -1.497000    
 H    2.349500       3.323700     -0.5358000    
 H    1.754200       2.948300       1.078600    
 H  -0.1621000      -4.259600      -1.430400    
 H   0.2914000      -2.174100       2.298900    
 H   0.8445000      -4.095600      0.8312000    
 H    1.911100      0.6614000       1.998400    
 H    3.435400       1.610500      -1.919100    
 H    3.169700      -1.463200       1.967400    
 H    4.693000     -0.5174000      -1.937500    
 H    4.562300      -2.058000      2.7999999E-03


%chk=000039393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039393

0 1
O -0.631608 0.578430 -0.972038
O -2.710509 1.247687 -0.183761
O 2.210565 -1.748287 -1.157944
N 1.929889 0.405139 -0.268050
C -2.262427 -1.183099 -0.708700
C -0.839236 -1.810386 -0.701231
C 0.029119 -0.710635 -1.360052
C -1.976380 0.328599 -0.561871
C -3.226675 -1.756645 0.316733
C 1.496798 -0.725413 -0.915901
C -4.244905 -2.652134 -0.092465
C -3.098621 -1.447816 1.695010
C 3.310656 0.554800 0.225036
C -5.115284 -3.236796 0.854729
C -3.968117 -2.028471 2.642929
C 4.044836 1.733309 -0.406961
C -4.977928 -2.927424 2.226765
C 4.146020 1.844366 -1.817666
C 4.654568 2.720101 0.405005
C 4.845475 2.921463 -2.402913
C 5.357852 3.799499 -0.178768
C 5.454547 3.903080 -1.584623
H -2.699964 -1.305597 -1.721785
H -0.779500 -2.761580 -1.249920
H -0.512156 -1.991899 0.337516
H -0.005208 -0.781639 -2.463121
H -4.359377 -2.892918 -1.156896
H -2.330901 -0.739220 2.028862
H 1.265134 1.179461 -0.171693
H 3.299171 0.665820 1.326286
H 3.817443 -0.399765 -0.011006
H -5.899132 -3.926536 0.522880
H -3.863729 -1.776211 3.703990
H -5.653530 -3.376145 2.963291
H 3.678335 1.082619 -2.452858
H 4.579749 2.645585 1.497343
H 4.919358 2.996126 -3.493686
H 5.824558 4.557143 0.460646
H 5.996917 4.739589 -2.039215


