%chk=000036533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036533

0 1
 O  -0.2204000       1.194300      0.3488000    
 O   0.9310000      0.6179000      -1.541100    
 N   -4.087900     -0.3784000      4.9600001E-02
 N    1.891500      0.4725000      0.5888000    
 C   -1.480200      0.9074000     -0.2448000    
 C   -2.585300       1.498600      0.6248000    
 C   -1.663100     -0.6019000     -0.3773000    
 C   -3.968500       1.084900      0.1237000    
 C   -3.074400     -0.9510000     -0.8481000    
 C   -5.431100     -0.7608000     -0.3852000    
 C   -6.472600     -0.2679000      0.6163000    
 C   -7.877900     -0.6718000      0.1979000    
 C   0.8897000      0.7424000     -0.3232000    
 C    3.195200     -9.8000001E-03  0.3324000    
 C    3.425400      -1.378200      0.3116000    
 C    4.225100      0.8923000      0.1059000    
 C    4.712100      -1.854300      5.9200000E-02
 C    5.511700      0.4163000     -0.1466000    
 C    2.328900      -2.364400      0.5532000    
 C    3.995800       2.369000      0.1240000    
 C    5.755100     -0.9571000     -0.1699000    
 H   -1.525000       1.381600      -1.234200    
 H   -2.499400       2.592000      0.6383000    
 H   -2.449700       1.177600       1.666500    
 H   -1.458800      -1.086600      0.5871000    
 H  -0.9423000      -1.031000      -1.081800    
 H   -4.666400       1.520600      0.8427000    
 H   -4.163300       1.547000     -0.8529000    
 H   -3.217900     -0.5962000      -1.877200    
 H   -3.167600      -2.043800     -0.8641000    
 H   -5.652200     -0.3658000      -1.385400    
 H   -5.500000      -1.854300     -0.4457000    
 H   -6.262700     -0.6703000       1.614600    
 H   -6.494300      0.8221000      0.6955000    
 H   -8.134700     -0.2482000     -0.7785000    
 H   -7.970500      -1.760800      0.1353000    
 H   -8.610200     -0.3116000      0.9276000    
 H    1.676500      0.6334000       1.569600    
 H    4.919500      -2.920800      3.6300000E-02
 H    6.336000       1.101000     -0.3282000    
 H    1.837200      -2.167500       1.511800    
 H    1.587100      -2.314600     -0.2506000    
 H    2.705700      -3.392400      0.5902000    
 H    4.931600       2.928300      1.5900001E-02
 H    3.339500       2.663300     -0.7016000    
 H    3.544700       2.677600       1.073000    
 H    6.756900      -1.327700     -0.3669000    


%chk=000036533-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036533

0 1
O -0.201006 0.146087 0.798340
O 0.974165 0.590740 -1.204411
N -4.342390 -0.198229 -0.144966
N 2.044987 -0.115695 0.788886
C -1.493325 0.426163 0.102041
C -2.496715 0.833853 1.185900
C -1.979478 -0.819535 -0.656813
C -3.894377 1.029773 0.558388
C -3.390830 -0.562174 -1.226323
C -5.739630 -0.105049 -0.640715
C -6.798349 -0.151172 0.481435
C -8.234569 -0.179570 -0.085639
C 0.961131 0.240452 0.001708
C 3.411358 -0.210706 0.354112
C 4.089958 -1.445923 0.581017
C 4.074739 0.907892 -0.229441
C 5.445230 -1.555718 0.193068
C 5.427607 0.745544 -0.621639
C 3.370097 -2.623149 1.215978
C 3.388241 2.246303 -0.407492
C 6.111568 -0.470560 -0.416949
H -1.316473 1.253594 -0.613101
H -2.168612 1.766825 1.679910
H -2.548558 0.036999 1.950104
H -2.021969 -1.673841 0.043929
H -1.279500 -1.062460 -1.476159
H -4.617224 1.273135 1.355698
H -3.867450 1.907152 -0.143609
H -3.332321 0.241024 -2.008898
H -3.759939 -1.477041 -1.724896
H -5.897534 0.817112 -1.261172
H -5.909941 -0.969884 -1.312009
H -6.609884 -1.049782 1.098819
H -6.691423 0.724713 1.150673
H -8.437012 0.712792 -0.708127
H -8.396375 -1.073420 -0.717354
H -8.984038 -0.200956 0.726018
H 1.801111 -0.488197 1.709512
H 5.973356 -2.501970 0.358935
H 5.948907 1.595770 -1.076844
H 3.128130 -2.441972 2.283179
H 2.416786 -2.841026 0.699571
H 3.996060 -3.530217 1.176952
H 4.128552 3.045162 -0.583331
H 2.685463 2.217303 -1.259689
H 2.792340 2.513120 0.485159
H 7.158933 -0.570360 -0.722458


