%chk=000173285.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173285

0 1
 O  -0.1348000      0.4222000       1.423800    
 O   -1.816600     -0.4829000      -1.699200    
 O   -2.943600      -1.562100      0.7139000    
 O    2.336200      -2.546800     -0.9013000    
 O   -4.216300       1.669600     -0.4209000    
 O    3.846900       2.705700      0.3427000    
 O    3.985800       1.223700      -1.383800    
 O   -6.640700      0.3044000     -9.3000000E-03
 N    2.123700     -0.3365000     -0.1186000    
 C    2.904400      0.5815000      0.6793000    
 C   0.8668000      5.2800000E-02 -0.7264000    
 C  -0.3195000     -0.2652000      0.1884000    
 C    3.856900     -0.3311000       1.431900    
 C   -1.663700      0.1645000     -0.4373000    
 C    4.026400      -1.539000      0.5122000    
 C   -2.890700     -0.1619000      0.4472000    
 C    2.728400      -1.584400     -0.2584000    
 C   -4.229800      0.2617000     -0.1948000    
 C    3.630900       1.505400     -0.2488000    
 C   -5.450700     -8.1500001E-02  0.6593000    
 H    2.258800       1.149600       1.354000    
 H   0.9134000       1.123000     -0.9569000    
 H   0.7746000     -0.4991000      -1.667600    
 H  -0.3253000      -1.340500      0.4014000    
 H   -1.641500       1.247100     -0.6112000    
 H    3.388000     -0.6591000       2.368300    
 H    4.815300      0.1350000       1.680600    
 H    4.177100      -2.461000       1.079000    
 H    4.850700      -1.394200     -0.1931000    
 H   -2.778200      0.3540000       1.408000    
 H   -4.359600     -0.2252000      -1.169400    
 H  -0.1578000       1.377000       1.240300    
 H   -5.421700      0.4643000       1.607900    
 H   -5.510300      -1.152300      0.8755000    
 H   -1.250100     -2.1299999E-02  -2.340100    
 H   -3.003400      -2.022200     -0.1409000    
 H   -3.642100       1.841900      -1.185900    
 H    4.323500       3.325500     -0.2497000    
 H   -6.680400     -0.1887000     -0.8464000    


%chk=000173285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173285

0 1
O -0.236125 0.862642 1.238832
O -1.928287 -0.820833 -1.704061
O -2.879630 -1.577242 0.854701
O 2.815406 -2.020423 -1.769977
O -4.139982 1.045628 -1.448572
O 4.239194 2.057958 0.450196
O 1.975968 2.534420 0.457532
O -6.633406 0.789198 0.242077
N 2.132475 -0.471129 -0.134448
C 2.683977 0.245238 1.045769
C 0.845500 -0.162708 -0.772056
C -0.356954 -0.169100 0.192149
C 3.946887 -0.584164 1.409264
C -1.698273 0.086553 -0.545861
C 4.336414 -1.320176 0.103763
C -2.894971 -0.183729 0.381868
C 3.049563 -1.352204 -0.726011
C -4.266032 0.125055 -0.313588
C 2.911257 1.711816 0.646222
C -5.241726 0.743724 0.696690
H 1.933905 0.262017 1.854814
H 0.895453 0.822627 -1.286977
H 0.732390 -0.946764 -1.545898
H -0.412676 -1.131112 0.730491
H -1.724701 1.142679 -0.882625
H 3.668322 -1.313253 2.189037
H 4.755032 0.050919 1.800025
H 4.708310 -2.343973 0.266160
H 5.106687 -0.772256 -0.469622
H -2.755430 0.421968 1.293195
H -4.668754 -0.852020 -0.668072
H 0.240162 1.663541 0.874995
H -4.968062 1.798668 0.866644
H -5.155727 0.184694 1.653033
H -1.188058 -0.757255 -2.356455
H -2.835776 -2.152124 0.044596
H -3.646889 0.553473 -2.157695
H 4.304420 3.007326 0.152461
H -6.918862 -0.125779 -0.008899


