%chk=000039190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039190

0 1
 O    2.054500      0.5074000     -0.8916000    
 O   -4.909300     -0.1520000     -0.3079000    
 O    1.246800       2.271700      0.3188000    
 N    4.104700      -1.074500      0.3302000    
 N  -0.1530000      0.5945000     -0.5225000    
 C    4.366900     -0.1358000     -0.7521000    
 C    3.375600       1.030500     -0.7561000    
 C    5.004600      -2.226800      0.2449000    
 C    4.246400     -0.4167000       1.630900    
 C    3.604700       2.006000      -1.903500    
 C    4.875100      -2.926300      -1.097500    
 C    3.909400      -1.367700       2.766800    
 C    1.051900       1.231800     -0.2986000    
 C   -1.440100      0.9904000     -9.2900001E-02
 C   -2.553000      0.2144000     -0.4165000    
 C   -3.823000      0.6053000      7.4000000E-03
 C   -4.701300      -1.555700     -0.4563000    
 C   -1.597300       2.157600      0.6545000    
 C   -5.983800      -2.284700     -8.5600004E-02
 C   -3.980200       1.772400      0.7550000    
 C   -2.867300       2.548700       1.078500    
 C   -5.832200      -3.790400     -0.2057000    
 H    5.394700      0.2480000     -0.7091000    
 H    4.239300     -0.6258000      -1.723100    
 H    3.485900       1.616900      0.1617000    
 H    6.051300      -1.943000      0.4125000    
 H    4.740100      -2.977900      0.9961000    
 H    3.534200      0.4058000       1.737000    
 H    5.252800     -4.4000000E-03   1.775700    
 H    3.466300       1.510300      -2.870900    
 H    4.615000       2.425100      -1.868600    
 H    2.887300       2.832600      -1.869500    
 H    3.827800      -3.089800      -1.374300    
 H    5.380300      -2.385200      -1.903600    
 H    5.352600      -3.911500      -1.042500    
 H    2.965300      -1.894100       2.589400    
 H    4.699600      -2.103200       2.945900    
 H    3.795900     -0.8011000       3.698200    
 H  -0.1122000     -0.2664000      -1.062700    
 H   -2.404200     -0.6746000      -1.023700    
 H   -3.905000      -1.917100      0.2074000    
 H   -4.434000      -1.769100      -1.497700    
 H  -0.7834000       2.808200      0.9427000    
 H   -6.801900      -1.939800     -0.7291000    
 H   -6.274600      -2.021000      0.9384000    
 H   -4.967000       2.081800       1.088300    
 H   -2.991000       3.457200       1.660700    
 H   -6.769200      -4.288400      6.2700003E-02
 H   -5.047900      -4.161100      0.4619000    
 H   -5.576100      -4.078400      -1.230300    


%chk=000039190-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039190

0 1
O 2.151142 0.811337 -1.504543
O -4.399929 -0.850200 0.657952
O 1.763570 1.992360 0.510000
N 3.927237 -0.580126 0.376777
N 0.178859 0.518691 -0.459904
C 4.341966 -0.150265 -0.973800
C 3.608225 1.123703 -1.450348
C 3.951128 -2.054696 0.561532
C 4.606971 0.174868 1.464464
C 4.022146 1.558917 -2.857936
C 2.756121 -2.758961 -0.110348
C 3.793521 0.210643 2.771730
C 1.395896 1.176256 -0.370992
C -0.943717 0.626976 0.404984
C -2.079497 -0.164723 0.075987
C -3.230361 -0.109725 0.894061
C -4.432544 -1.745787 -0.511263
C -0.959431 1.467810 1.545012
C -5.801935 -2.429910 -0.517195
C -3.259962 0.728403 2.036980
C -2.125885 1.502867 2.343325
C -5.940967 -3.415435 -1.698282
H 5.444069 0.039100 -1.042702
H 4.110530 -0.955700 -1.694730
H 3.736574 1.947186 -0.723659
H 4.910399 -2.499280 0.192500
H 3.912226 -2.257999 1.646605
H 4.737128 1.216141 1.117227
H 5.633536 -0.230127 1.656974
H 3.829909 0.755434 -3.591524
H 5.100440 1.801048 -2.881246
H 3.458036 2.454206 -3.168723
H 1.810559 -2.370466 0.306933
H 2.741373 -2.589605 -1.202542
H 2.802150 -3.850850 0.061824
H 2.814087 0.679856 2.581003
H 3.625617 -0.799890 3.186945
H 4.328329 0.801572 3.538849
H 0.106602 -0.124706 -1.250675
H -2.048759 -0.807021 -0.810880
H -3.617191 -2.496430 -0.431567
H -4.280996 -1.155383 -1.440174
H -0.082201 2.068626 1.788928
H -6.588472 -1.654440 -0.569066
H -5.937355 -2.961005 0.443248
H -4.163162 0.752464 2.652996
H -2.144537 2.151565 3.226163
H -6.932224 -3.901741 -1.686736
H -5.175208 -4.212411 -1.649812
H -5.832016 -2.899044 -2.670654


