%chk=000115470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115470

0 1
 O   -1.866800       1.555600     -0.8871000    
 O   0.3146000       2.108100      -1.346600    
 N    2.919700      0.8502000      0.5099000    
 C  -0.1698000      0.1977000      0.1434000    
 C   0.5508000      0.9211000       1.356200    
 C    1.873100       1.688300       1.087200    
 C   -1.471000     -0.5225000      0.6072000    
 C   0.7045000     -0.8876000     -0.5401000    
 C  -0.5104000       1.379100     -0.8076000    
 C    2.400500       2.284700       2.395700    
 C   -2.238700      -1.116800     -0.3492000    
 C    1.084900      -1.963900      0.2091000    
 C   -1.757800     -0.5113000       1.939600    
 C    1.041600     -0.7015000      -1.850300    
 C    3.278700     -0.2299000       1.429700    
 C    4.098700       1.653000      0.1827000    
 C   -3.404000      -1.761300      6.5899998E-02
 C    1.870900      -2.939000     -0.4051000    
 C   -2.923100      -1.155900       2.354900    
 C    1.827400      -1.676600      -2.464500    
 C   -3.746200      -1.780800       1.418100    
 C    2.242200      -2.795400      -1.741800    
 C   -2.303400       2.677300      -1.660800    
 C   -3.816400       2.727400      -1.646500    
 H  -0.1461000       1.670400       1.764700    
 H   0.7318000      0.2130000       2.171400    
 H    1.666300       2.534400      0.4263000    
 H    3.274900       2.928500       2.267900    
 H    2.615000       1.540900       3.169400    
 H    1.627700       2.937500       2.822900    
 H   -1.988300      -1.111700      -1.404700    
 H   0.7904000      -2.101500       1.243800    
 H   -1.179300     -4.2599998E-02   2.721800    
 H   0.7234000      0.1214000      -2.474100    
 H    3.831200     -0.9955000      0.8720000    
 H    3.962800      0.1058000       2.219900    
 H    2.463200     -0.7393000       1.937500    
 H    3.830300       2.526000     -0.4230000    
 H    4.679500       1.987300       1.048300    
 H    4.776200       1.052700     -0.4364000    
 H   -4.045100      -2.247600     -0.6635000    
 H    2.190400      -3.812000      0.1565000    
 H   -3.192100      -1.169900       3.407200    
 H    2.110200      -1.569900      -3.507800    
 H   -4.653900      -2.281900       1.741300    
 H    2.851900      -3.555800      -2.220800    
 H   -1.898500       3.598900      -1.228100    
 H   -1.946500       2.570800      -2.691200    
 H   -4.188900       2.814400     -0.6204000    
 H   -4.235900       1.803800      -2.059000    
 H   -4.185700       3.575200      -2.230000    


%chk=000115470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115470

0 1
O -1.246360 2.001299 -0.473768
O -0.660141 0.664584 -2.271690
N 2.616744 1.244669 0.300224
C -0.230493 -0.132138 0.074184
C 0.353343 0.647878 1.304243
C 1.431455 1.735342 1.047151
C -1.572393 -0.855256 0.449312
C 0.770569 -1.209248 -0.425428
C -0.676524 0.852392 -1.033822
C 1.770957 2.430290 2.401833
C -2.254152 -1.570738 -0.572115
C 0.896569 -2.396736 0.342639
C -2.126317 -0.853311 1.752278
C 1.598345 -1.057507 -1.564775
C 3.478978 0.281111 1.005058
C 3.388439 2.301982 -0.373874
C -3.457741 -2.252645 -0.301977
C 1.823117 -3.403160 -0.008287
C -3.330681 -1.543764 2.027352
C 2.518285 -2.067680 -1.924787
C -4.004933 -2.242732 1.003075
C 2.639356 -3.244757 -1.150729
C -1.892163 2.944681 -1.436628
C -2.476486 4.084750 -0.608884
H -0.477034 1.182119 1.798473
H 0.734319 -0.100592 2.026384
H 0.963805 2.499411 0.396564
H 2.544768 3.208028 2.265591
H 2.142788 1.702752 3.147274
H 0.873686 2.918965 2.824759
H -1.830013 -1.595150 -1.582497
H 0.251781 -2.545017 1.217157
H -1.628835 -0.323490 2.569184
H 1.526927 -0.154532 -2.172013
H 4.182049 -0.170756 0.281536
H 4.080833 0.733984 1.831313
H 2.874045 -0.540253 1.423798
H 2.709403 2.947218 -0.960776
H 3.974508 2.958900 0.318378
H 4.107915 1.838506 -1.074835
H -3.965753 -2.795347 -1.107183
H 1.897781 -4.310263 0.602551
H -3.738102 -1.533792 3.044928
H 3.142373 -1.932519 -2.815864
H -4.938309 -2.775363 1.217243
H 3.353820 -4.025664 -1.435722
H -1.127497 3.288215 -2.156888
H -2.664690 2.387621 -1.997187
H -1.686177 4.615608 -0.050407
H -3.218596 3.704633 0.113716
H -2.978670 4.810774 -1.274162


