%chk=000176699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176699

0 1
 O   -2.985000      0.3980000      0.5431000    
 O   -1.131000       2.542700     -0.6441000    
 O    1.018100       3.567600      0.3301000    
 O   -3.040300      -1.819100     -6.2199999E-02
 N  -0.3879000      0.2860000     -0.6311000    
 N    2.022800      -1.831100      0.8255000    
 N    2.618500      -1.702500     -0.3724000    
 C   0.7333000     -0.5732000     -0.2536000    
 C   -1.546300     -0.3246000      -1.231600    
 C   0.8498000      -1.143500      0.9342000    
 C    1.784900     -0.9013000      -1.041200    
 C  -0.2804000       1.685800     -0.3866000    
 C   -1.136200      -1.561200      -2.016000    
 C   3.3900000E-02  -1.147600       2.164100    
 C   -2.603900     -0.6804000     -0.1974000    
 C    2.103700     -0.5208000      -2.428600    
 C    2.648600      -2.647800       1.839900    
 C    1.035700       2.161900      0.2012000    
 C   -3.973000      0.1454000       1.547800    
 C    2.234800       4.065800      0.8790000    
 H   -2.009200      0.3941000      -1.919000    
 H  -0.7302000      -2.368400      -1.396700    
 H   -2.018000      -1.987400      -2.512200    
 H  -0.4335000      -1.323900      -2.818400    
 H  -0.6757000     -0.3147000       2.173100    
 H  -0.5369000      -2.078300       2.242400    
 H   0.6564000      -1.046400       3.059000    
 H    1.445200      0.2719000      -2.797000    
 H    3.131700     -0.1492000      -2.500000    
 H    2.008200      -1.382500      -3.097100    
 H    1.899200      -3.321700       2.262000    
 H    3.453700      -3.234500       1.389400    
 H    3.053400      -1.985800       2.609200    
 H    1.171500       1.714700       1.190900    
 H    1.856400       1.880800     -0.4655000    
 H   -4.181400       1.086700       2.063200    
 H   -3.594900     -0.5778000       2.276700    
 H   -4.897600     -0.2155000       1.087200    
 H    2.398100       3.656200       1.880500    
 H    2.157500       5.153700      0.9537000    
 H    3.078000       3.818100      0.2269000    


%chk=000176699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176699

0 1
O -3.077172 0.030778 0.696126
O -1.036988 2.587271 -1.058295
O 1.172551 3.711326 0.035003
O -2.525691 -2.117937 -0.006892
N -0.346832 0.394111 -0.618276
N 1.913922 -1.885040 1.052710
N 2.567213 -1.828165 -0.185980
C 0.678331 -0.506175 -0.184357
C -1.613491 -0.134471 -1.214281
C 0.779112 -1.099044 1.095549
C 1.801884 -0.985704 -0.943796
C -0.176056 1.796040 -0.592754
C -1.374496 -1.035464 -2.435622
C -0.093851 -0.964197 2.306695
C -2.427407 -0.876988 -0.142320
C 2.194358 -0.677977 -2.362024
C 2.481287 -2.715759 2.114032
C 1.142110 2.261502 0.051426
C -3.923642 -0.561151 1.760508
C 2.416413 4.223357 0.607647
H -2.177922 0.773619 -1.497801
H -0.815410 -1.945393 -2.160777
H -2.341027 -1.351984 -2.865366
H -0.816766 -0.477011 -3.206037
H -0.802371 -0.132591 2.155895
H -0.684013 -1.883162 2.486558
H 0.494185 -0.755680 3.219694
H 2.045937 0.390348 -2.602431
H 3.254887 -0.933800 -2.520297
H 1.592732 -1.260578 -3.083262
H 1.739265 -3.444348 2.485024
H 3.335340 -3.256384 1.681164
H 2.835408 -2.101334 2.961908
H 1.204295 1.867006 1.091604
H 2.005454 1.834896 -0.507500
H -4.380444 0.301203 2.265100
H -3.307527 -1.152040 2.459940
H -4.691011 -1.216696 1.315756
H 2.537795 3.918422 1.669983
H 2.346470 5.320313 0.548757
H 3.305170 3.879081 0.035388


