%chk=000176843.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176843

0 1
 O    1.251500     -0.8486000     -8.0200002E-02
 O   -3.597300      0.1609000     -0.3263000    
 O    3.321000      -1.785400     -0.4190000    
 N    3.008600      0.5145000     -0.4295000    
 N    1.077200      -3.545700      -2.143100    
 C    4.935900       1.788100      0.4407000    
 C    4.367500      0.9116000     -0.6808000    
 C    4.144900       3.088800      0.5967000    
 C    4.935300       1.016100       1.760600    
 C  -0.7795000      -2.034300      0.3951000    
 C   0.6879000      -2.157900      5.6899998E-02
 C    2.596100     -0.8009000     -0.3191000    
 C   -1.510800     -0.9820000     -0.1309000    
 C   -2.865100     -0.8676000      0.1828000    
 C   -1.364600      -2.975400       1.226300    
 C   -3.469200      -1.807000       1.018400    
 C   -2.718900      -2.860800       1.540200    
 C   -3.039700       1.427800     -0.2892000    
 C   0.9036000      -2.933000      -1.173000    
 C   -2.418400       1.857200      0.8694000    
 C   -3.119900       2.231600      -1.411900    
 C   -1.858100       3.134100      0.9065000    
 C   -2.559400       3.508300      -1.374900    
 C   -1.928400       3.959600     -0.2156000    
 H    5.971600       2.042300      0.1838000    
 H    4.367000       1.466000      -1.625900    
 H    4.996200      2.5699999E-02 -0.8225000    
 H    3.119100       2.911000      0.9357000    
 H    4.102300       3.634000     -0.3521000    
 H    4.626300       3.741100       1.333500    
 H    5.428900       1.601200       2.544300    
 H    5.480100      7.1199998E-02   1.660700    
 H    3.921400      0.7909000       2.107700    
 H    2.296000       1.235700     -0.3737000    
 H    1.196400      -2.642700      0.9012000    
 H   -1.044000     -0.2742000     -0.8107000    
 H  -0.7900000      -3.800600       1.636700    
 H   -4.523700      -1.722900       1.266600    
 H   -3.189400      -3.592400       2.190700    
 H   -2.371100       1.243000       1.763900    
 H   -3.610600       1.881500      -2.315000    
 H   -1.371300       3.487600       1.810700    
 H   -2.614400       4.151100      -2.248600    
 H   -1.493000       4.954100     -0.1863000    


%chk=000176843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176843

0 1
O 1.770446 -0.427613 -1.095506
O -3.530926 0.566621 0.791996
O 3.098908 -2.122411 -0.102542
N 3.888817 0.072070 -0.438769
N -0.369082 -1.179741 -3.631767
C 5.417451 0.567287 1.525263
C 5.230638 -0.113769 0.140770
C 5.248424 2.102978 1.435231
C 4.476833 -0.041723 2.589641
C -0.339312 -1.225460 -0.056528
C 0.659919 -1.437482 -1.186776
C 2.964360 -0.934075 -0.495285
C -1.466555 -0.386697 -0.219256
C -2.338513 -0.186954 0.874510
C -0.094812 -1.868881 1.182466
C -2.106654 -0.822981 2.115255
C -0.983703 -1.663784 2.260742
C -3.670237 1.638217 -0.132662
C 0.089727 -1.286277 -2.536826
C -2.641516 2.580268 -0.364702
C -4.940813 1.778588 -0.729979
C -2.897030 3.670692 -1.225621
C -5.182751 2.877209 -1.583718
C -4.162775 3.823779 -1.838619
H 6.466551 0.353290 1.820500
H 5.978339 0.284364 -0.572688
H 5.390597 -1.202053 0.232251
H 4.205515 2.373625 1.180339
H 5.918752 2.544060 0.672840
H 5.480952 2.580090 2.404317
H 4.663882 0.408387 3.581690
H 4.617052 -1.134633 2.672562
H 3.417781 0.142650 2.329664
H 3.613598 0.982723 -0.808968
H 1.130024 -2.436761 -1.090532
H -1.670907 0.087374 -1.185047
H 0.784325 -2.512396 1.295663
H -2.811188 -0.655022 2.935077
H -0.803283 -2.162028 3.218919
H -1.667770 2.470437 0.123000
H -5.713354 1.033562 -0.517988
H -2.105028 4.404560 -1.411145
H -6.166551 2.989666 -2.052070
H -4.352130 4.671843 -2.504904


