%chk=000086238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086238

0 1
 O    1.594000      0.6094000     -0.5589000    
 O   -4.194500      -1.465900      0.6967000    
 O   -4.672800      0.4382000     -0.2855000    
 N   -3.840400     -0.4035000      0.1305000    
 C    2.385500      0.6855000      0.6237000    
 C    3.815200      0.2183000      0.3320000    
 C    3.852800      -1.207900     -0.2241000    
 C    2.360000       2.118900       1.136800    
 C    5.274400      -1.640600     -0.5478000    
 C   0.2586000      0.3606000     -0.3896000    
 C  -0.1500000     -0.8122000      0.2371000    
 C  -0.6783000       1.282500     -0.8450000    
 C   -1.510600      -1.066000      0.4101000    
 C   -2.039000       1.028600     -0.6718000    
 C   -2.455000     -0.1458000     -4.4300001E-02
 H    1.988300      3.8699999E-02   1.416400    
 H    4.421100      0.2795000       1.243900    
 H    4.269100      0.8896000     -0.4083000    
 H    3.249700      -1.279100      -1.136300    
 H    3.420600      -1.901500      0.5063000    
 H    2.713800       2.815400      0.3686000    
 H    1.340500       2.424900       1.394400    
 H    2.986100       2.233000       2.027100    
 H    5.279600      -2.662900     -0.9387000    
 H    5.904900      -1.615700      0.3466000    
 H    5.721700     -0.9860000      -1.302600    
 H   0.5717000      -1.548900      0.5787000    
 H  -0.3579000       2.198400      -1.333600    
 H   -1.798300      -1.993200      0.8991000    
 H   -2.746100       1.768200      -1.038400    


%chk=000086238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086238

0 1
O 1.568925 0.576521 -0.266909
O -4.594949 -0.670357 0.928909
O -4.684109 0.011884 -1.248894
N -4.034542 -0.244057 -0.158281
C 2.479531 0.382807 0.912674
C 3.878085 0.194733 0.306057
C 4.033384 -1.103069 -0.517341
C 2.379428 1.599010 1.845402
C 5.440973 -1.242395 -1.135163
C 0.203339 0.364317 -0.142868
C -0.451891 -0.105477 1.031568
C -0.554115 0.632827 -1.318252
C -1.843321 -0.306797 1.020996
C -1.940196 0.435020 -1.328511
C -2.578433 -0.035379 -0.153830
H 2.173362 -0.549978 1.431266
H 4.612352 0.200416 1.137110
H 4.104551 1.073790 -0.329225
H 3.268509 -1.114133 -1.316428
H 3.825741 -1.977539 0.133387
H 2.721234 2.509054 1.321693
H 1.347681 1.771801 2.197041
H 3.022447 1.447033 2.731331
H 5.532328 -2.177249 -1.717330
H 6.223493 -1.254047 -0.352629
H 5.659903 -0.398582 -1.816358
H 0.106667 -0.317252 1.946591
H -0.026159 0.991425 -2.206466
H -2.370061 -0.669206 1.907906
H -2.539458 0.635378 -2.220347


