%chk=000039827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039827

0 1
 O    2.087200      0.2945000       1.302700    
 O    2.849800      0.5414000     -0.9707000    
 O   0.3378000       2.381200      -1.422400    
 N   -3.451600      0.3372000      0.3047000    
 N  -0.2247000       2.124600      0.8179000    
 C    2.797500       1.127600      0.3534000    
 C    2.076900       2.471700      0.2568000    
 C   -2.010200      0.4885000      0.4552000    
 C    4.228900       1.316300      0.8545000    
 C    1.735500     -0.7641000      0.5212000    
 C   -1.648700       1.955100      0.6386000    
 C    2.170900     -0.6231000     -0.7766000    
 C   0.6536000       2.324800     -0.2370000    
 C   -3.810700      -1.075600      0.1657000    
 C   -3.933200       1.098400     -0.8496000    
 C    1.026000      -1.873200      0.9326000    
 C    1.920800      -1.583300      -1.734900    
 C   0.7592000      -2.860900     -1.8400000E-02
 C    1.203900      -2.716800      -1.344500    
 C   -3.320600      -1.886000       1.353700    
 C   -5.444100       1.003300     -0.9785000    
 C  -4.1000000E-03  -4.081500      0.3758000    
 H    2.591300       3.133800     -0.4508000    
 H    2.067900       2.977600       1.230300    
 H   -1.470300      7.0000000E-02 -0.4048000    
 H   -1.642700     -2.7799999E-02   1.348500    
 H    4.742100      0.3500000      0.9205000    
 H    4.244900       1.759500       1.855700    
 H    4.809900       1.944500      0.1712000    
 H   -2.136200       2.372000       1.526800    
 H   -1.909700       2.575300     -0.2215000    
 H   0.1369000       2.070900       1.765700    
 H   -3.415800      -1.508800     -0.7619000    
 H   -4.898600      -1.198000      0.1526000    
 H   -3.456400      0.7771000      -1.784000    
 H   -3.745200       2.168200     -0.7303000    
 H   0.6890000      -1.965600       1.959500    
 H    2.265200      -1.467800      -2.756300    
 H   0.9916000      -3.490000      -2.079000    
 H   -3.794200      -2.874400       1.341900    
 H   -3.582600      -1.412100       2.306000    
 H   -2.241500      -2.061300       1.327000    
 H   -5.800000       1.754700      -1.692800    
 H   -5.946700       1.197400     -2.4599999E-02
 H   -5.771000      3.2099999E-02  -1.362300    
 H  -0.9681000      -4.106700     -0.1426000    
 H  -0.2009000      -4.109300       1.452700    
 H   0.5624000      -4.983400      0.1214000    


%chk=000039827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039827

0 1
O 2.235280 0.354917 1.405853
O 2.260343 0.594942 -0.984070
O -0.183810 3.363845 -0.598891
N -3.613260 0.411491 -0.230295
N -0.275112 1.716206 1.046497
C 2.670522 1.290405 0.286592
C 1.930769 2.626476 0.404201
C -2.139263 0.466985 -0.079524
C 4.193617 1.404458 0.322465
C 2.002716 -0.900026 0.778285
C -1.733831 1.542024 0.962009
C 2.011129 -0.750535 -0.625503
C 0.400275 2.590543 0.220731
C -4.137230 -0.953756 -0.497074
C -4.120314 1.429898 -1.193270
C 1.740519 -2.121271 1.397854
C 1.750643 -1.831077 -1.469440
C 1.479282 -3.249082 0.559203
C 1.485512 -3.085014 -0.849259
C -4.103943 -1.863159 0.746161
C -5.565496 1.872764 -0.895485
C 1.210679 -4.608283 1.183818
H 2.321164 3.305797 -0.371251
H 2.178999 3.062680 1.390551
H -1.623943 0.692996 -1.042484
H -1.767857 -0.517823 0.258913
H 4.651707 0.402874 0.259027
H 4.520078 1.884292 1.260865
H 4.545431 2.007429 -0.531679
H -2.130856 1.261297 1.953168
H -2.170465 2.514607 0.677787
H 0.283128 1.095003 1.639666
H -3.589489 -1.446650 -1.340755
H -5.187569 -0.849896 -0.825931
H -4.047002 1.057927 -2.246445
H -3.456903 2.312279 -1.133683
H 1.737716 -2.213638 2.488495
H 1.744603 -1.715196 -2.556223
H 1.282059 -3.953324 -1.485632
H -4.530164 -2.856535 0.510637
H -4.690915 -1.408989 1.563524
H -3.072890 -2.021069 1.112249
H -5.890375 2.641917 -1.621131
H -5.631118 2.295428 0.122243
H -6.277997 1.030001 -0.959686
H 0.405148 -4.556360 1.939889
H 2.110168 -5.002535 1.694289
H 0.909717 -5.347261 0.421838


