%chk=000176685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176685

0 1
 O    2.261600      -2.195400       2.050800    
 O  -0.2652000       1.174800     -0.9999000    
 N  -0.9774000       1.238300       1.208900    
 N    1.983400     -0.8424000       2.201600    
 C    1.399700       1.025000      0.7614000    
 C   -2.390200       1.377600      0.9407000    
 C    2.398200       1.761600     -0.1573000    
 C  -2.3100000E-02   1.147600      0.2051000    
 C    2.080500       3.255400     -0.3000000    
 C    1.744300     -0.4329000      0.9729000    
 C   -2.948700      0.1824000      0.1569000    
 C   -3.108200       1.506200       2.296900    
 C   -2.582900       2.676700      0.1368000    
 C    3.110600       4.013000      -1.141400    
 C    1.839700      -1.409200     -3.3000000E-03
 C    2.175400      -2.530800      0.7346000    
 C   -4.005300      0.3949000     -0.6950000    
 C   -2.368600      -1.049200      0.3407000    
 C    2.789800       5.490500      -1.306600    
 C    1.696400      -1.526000      -1.393700    
 C    2.386300      -3.793800      0.1896000    
 C   -4.513000     -0.6915000      -1.407500    
 C   -2.876400      -2.135600     -0.3717000    
 C    1.901600      -2.784500      -1.976800    
 C   -3.948600      -1.956800      -1.245900    
 C    2.240100      -3.895800      -1.197900    
 H    1.427000       1.535700       1.735200    
 H    2.417500       1.312900      -1.157100    
 H    3.410500       1.646700      0.2517000    
 H    2.033500       3.710400      0.6973000    
 H    1.093800       3.393100     -0.7558000    
 H  -0.6732000       1.183900       2.177100    
 H   -2.732400       2.365000       2.865700    
 H   -2.956800      0.6132000       2.915400    
 H   -4.189000       1.636000       2.167900    
 H   -3.624200       3.020000      0.1465000    
 H   -2.269900       2.595900     -0.9099000    
 H   -1.998300       3.493900      0.5801000    
 H    4.100200       3.914600     -0.6795000    
 H    3.176100       3.553200      -2.134700    
 H   -4.492200       1.352200     -0.8334000    
 H   -1.551000      -1.223000       1.032200    
 H    1.823500       5.626900      -1.802400    
 H    3.557100       5.981000      -1.913600    
 H    2.751100       5.992100     -0.3346000    
 H    1.433700     -0.6794000      -2.018800    
 H    2.647900      -4.648800      0.8009000    
 H   -5.351900     -0.5542000      -2.083600    
 H   -2.440200      -3.121800     -0.2420000    
 H    1.795100      -2.897500      -3.052800    
 H   -4.345400      -2.803200      -1.798700    
 H    2.392500      -4.858500      -1.679800    


%chk=000176685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176685

0 1
O 2.394043 -2.098650 2.095752
O -0.295527 1.426999 -1.037705
N -0.997955 1.326422 1.184808
N 2.135531 -0.634458 2.194242
C 1.422934 1.219807 0.736352
C -2.473486 1.354780 0.933877
C 2.436038 1.886576 -0.232409
C -0.033722 1.347128 0.200466
C 2.295757 3.423721 -0.278888
C 1.735604 -0.243086 0.966270
C -2.894809 0.123703 0.092848
C -3.151676 1.258438 2.329772
C -2.845351 2.706386 0.272259
C 3.311450 4.079315 -1.241994
C 1.689552 -1.348468 0.025193
C 2.113252 -2.478490 0.774107
C -3.877795 0.207584 -0.922899
C -2.342850 -1.148912 0.391972
C 3.179724 5.616524 -1.294946
C 1.320568 -1.500152 -1.336246
C 2.212169 -3.773495 0.234897
C -4.297539 -0.947690 -1.621610
C -2.755816 -2.303459 -0.305113
C 1.412235 -2.788756 -1.896867
C -3.740729 -2.209050 -1.315762
C 1.854825 -3.904660 -1.124399
H 1.490392 1.724433 1.721386
H 2.281944 1.474845 -1.247122
H 3.459922 1.612711 0.088403
H 2.436244 3.842537 0.740306
H 1.268968 3.688543 -0.599807
H -0.688341 1.256766 2.157491
H -2.876912 2.125082 2.960768
H -2.866126 0.326244 2.850703
H -4.247777 1.252376 2.211291
H -3.940714 2.820543 0.194663
H -2.399262 2.783807 -0.732129
H -2.463821 3.534711 0.895042
H 4.340628 3.804121 -0.932847
H 3.167598 3.659643 -2.258117
H -4.312139 1.175130 -1.192111
H -1.568793 -1.237126 1.163668
H 2.168331 5.914873 -1.629600
H 3.911779 6.061435 -1.993696
H 3.349208 6.064781 -0.297535
H 0.951376 -0.647264 -1.913397
H 2.544609 -4.624161 0.835219
H -5.054875 -0.859228 -2.409061
H -2.305494 -3.273234 -0.064648
H 1.131319 -2.943694 -2.943594
H -4.063534 -3.103875 -1.859694
H 1.914043 -4.891659 -1.596362


