%chk=000176227.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176227

0 1
 O   -3.328300      0.8466000      6.6600002E-02
 O   0.8053000      -2.730100      0.1911000    
 O   -5.607400      2.7100001E-02  -1.299900    
 O    2.353200      -5.058300      0.3023000    
 N   0.2940000      0.8774000      0.7491000    
 C    1.437000       1.363300     -2.1299999E-02
 C    2.730600       1.142900      0.7705000    
 C    1.243300       2.845000     -0.3623000    
 C    3.940400       1.708400      2.8500000E-02
 C    2.455100       3.408800      -1.102400    
 C    3.747100       3.180800     -0.3229000    
 C  -0.9486000       1.080100      4.3000001E-03
 C   0.4648000     -0.5366000       1.082100    
 C   -2.144900      0.6160000      0.8197000    
 C   0.6255000      -1.369600     -0.1796000    
 C   -4.487400      0.4323000      0.7768000    
 C   0.9619000      -3.564600     -0.9485000    
 C   -5.714500      0.7250000     -6.5099999E-02
 C    1.173100      -4.994500     -0.4892000    
 H    1.524300      0.8618000     -0.9926000    
 H    2.660700       1.615900       1.758900    
 H    2.953900      8.3600000E-02  0.9284000    
 H    1.071100       3.431200      0.5499000    
 H   0.3926000       3.013200      -1.029800    
 H    4.838900       1.592900      0.6453000    
 H    4.107700       1.133000     -0.8906000    
 H    2.536000       2.934600      -2.088500    
 H    2.315200       4.482000      -1.275500    
 H    3.726100       3.775400      0.5988000    
 H    4.600700       3.534500     -0.9120000    
 H  -0.9556000      0.6370000     -0.9984000    
 H   -1.143800       2.146100     -0.1534000    
 H  -0.3464000     -0.9320000       1.701500    
 H    1.313500     -0.6991000       1.756300    
 H   -2.119200     -0.4572000       1.022400    
 H   -2.200400       1.161200       1.769900    
 H  -0.2586000      -1.319100     -0.8218000    
 H    1.507800      -1.093100     -0.7611000    
 H   -4.421000     -0.6452000      0.9670000    
 H   -4.555400      0.9659000       1.731100    
 H   6.9200002E-02  -3.505600      -1.580600    
 H    1.835400      -3.230100      -1.520300    
 H   -6.626700      0.3996000      0.4424000    
 H   -5.793400       1.793100     -0.2909000    
 H   0.3354000      -5.328400      0.1312000    
 H    1.284600      -5.665500      -1.345900    
 H   -4.785400      0.3191000      -1.730000    
 H    2.459900      -5.984000      0.5804000    


%chk=000176227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176227

0 1
O -3.424626 1.179799 -0.032623
O 1.098257 -3.334072 -0.108617
O -6.029868 0.160431 -0.333649
O 2.838292 -5.435290 0.611032
N 0.209429 0.311959 0.297376
C 1.295449 1.199149 -0.217206
C 2.645039 0.945240 0.501770
C 0.906667 2.692636 -0.040190
C 3.756040 1.891751 -0.015715
C 2.004546 3.643593 -0.571644
C 3.358481 3.378519 0.124182
C -1.120552 0.486712 -0.334594
C 0.539096 -1.093055 0.610503
C -2.128307 1.094826 0.655395
C 0.944951 -1.962589 -0.604894
C -4.500423 1.711690 0.820020
C 1.534700 -4.289404 -1.141383
C -5.784439 1.565793 0.001640
C 1.793797 -5.603396 -0.402502
H 1.461686 1.030066 -1.315673
H 2.495523 1.100210 1.589849
H 2.976833 -0.100958 0.363149
H 0.739856 2.873878 1.041190
H -0.047144 2.908581 -0.557775
H 4.696140 1.689842 0.533039
H 3.957233 1.668766 -1.084390
H 2.121247 3.497651 -1.665912
H 1.691664 4.694990 -0.422420
H 3.274019 3.636330 1.200032
H 4.146831 4.028237 -0.302563
H -1.527389 -0.484871 -0.680173
H -1.061147 1.132510 -1.232218
H -0.346449 -1.562284 1.078179
H 1.345012 -1.138823 1.362571
H -2.210677 0.451700 1.558536
H -1.796678 2.103991 0.976740
H 0.161031 -1.929980 -1.393588
H 1.901260 -1.609965 -1.050406
H -4.565767 1.116056 1.756056
H -4.303875 2.775156 1.078999
H 0.748263 -4.410288 -1.918309
H 2.467635 -3.922581 -1.621170
H -6.657597 1.898570 0.587635
H -5.707538 2.184724 -0.917162
H 0.847521 -5.958856 0.056962
H 2.165962 -6.372315 -1.100091
H -5.170745 -0.192082 -0.686311
H 2.588065 -4.631750 1.138225


