%chk=000159057.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159057

0 1
 O    5.884600      -1.203100     -0.5272000    
 O   -1.508300       2.718700      0.4665000    
 O    5.475800      0.5414000       1.598000    
 N   -2.548700       1.118700     -0.8605000    
 N   -4.448300      -1.221600       1.287300    
 N   -5.325500      -2.509400     -0.2951000    
 C   -4.688900       1.085700      0.3810000    
 C   -3.890600       1.652700     -0.7909000    
 C   -4.859600     -0.4121000      0.2945000    
 C   -5.392700      -1.190600     -0.6690000    
 C    2.240600      0.6911000     -6.5499999E-02
 C   -1.468800       1.703500     -0.2209000    
 C   -4.751200      -2.493300      0.8873000    
 C   0.9396000       1.364300      9.4999999E-02
 C  -0.2072000      0.9464000     -0.4606000    
 C    3.249900      0.9379000      0.8508000    
 C    2.429000     -0.1753000      -1.130100    
 C    4.481200      0.3008000      0.6987000    
 C    4.686500     -0.5744000     -0.3679000    
 C    3.660400     -0.8124000      -1.282300    
 C    6.042300      -2.468800      0.1110000    
 H   -4.196100       1.350200       1.325100    
 H   -5.683300       1.548000      0.3985000    
 H   -4.376900       1.423200      -1.745300    
 H   -3.833100       2.743000     -0.6995000    
 H   -2.414900      0.2718000      -1.405400    
 H   -4.003800     -0.9569000       2.156900    
 H   -5.826200     -0.8988000      -1.614400    
 H   -4.528800      -3.356100       1.499000    
 H   0.9516000       2.252700      0.7224000    
 H  -0.2763000      5.2800000E-02  -1.070100    
 H    3.098400       1.617400       1.686000    
 H    1.667900     -0.3735000      -1.878000    
 H    3.815900      -1.488900      -2.118500    
 H    6.268900      5.1399998E-02   1.320400    
 H    5.337200      -3.195700     -0.3044000    
 H    5.896200      -2.380400       1.192100    
 H    7.059800      -2.822400     -7.6399997E-02


%chk=000159057-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159057

0 1
O 5.964787 -1.251404 0.296071
O -2.009621 1.841348 0.738653
O 5.050759 0.220958 2.339112
N -2.637074 1.100602 -1.382132
N -3.866684 -0.440234 1.272506
N -5.176609 -2.235190 0.858234
C -4.867274 1.417536 -0.134141
C -3.985243 1.699351 -1.392025
C -4.839215 -0.000751 0.361125
C -5.638309 -1.127110 0.124670
C 1.971782 0.171773 0.227915
C -1.717578 1.236012 -0.355499
C -4.102765 -1.781577 1.539691
C 0.612233 0.716565 0.309706
C -0.391802 0.613780 -0.614128
C 2.869705 0.440537 1.302905
C 2.435096 -0.610754 -0.867779
C 4.181896 -0.051531 1.280305
C 4.627883 -0.831732 0.173474
C 3.752913 -1.110732 -0.897700
C 6.531976 -2.063147 -0.784064
H -4.543793 2.096422 0.672552
H -5.904169 1.691018 -0.404466
H -4.493861 1.303929 -2.289198
H -3.900563 2.798888 -1.506140
H -2.360881 0.554655 -2.199627
H -3.108573 0.159765 1.615046
H -6.517666 -1.206542 -0.511852
H -3.492515 -2.373236 2.217720
H 0.360333 1.282842 1.218865
H -0.248043 0.081669 -1.563949
H 2.549173 1.037991 2.162576
H 1.764780 -0.837943 -1.702595
H 4.087641 -1.712218 -1.748262
H 5.928835 -0.203713 2.147531
H 6.524245 -1.506463 -1.740150
H 5.976554 -3.013404 -0.895839
H 7.568249 -2.269960 -0.480609


