%chk=000028806.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028806

0 1
 O  -0.8251000     -0.5889000       2.350500    
 O   -5.190200      -1.473900      -1.477800    
 O   -4.463200       2.613600      0.9105000    
 O   -6.020100       1.077300     -0.7893000    
 N    3.730000      -1.337800     -7.1400002E-02
 N   0.9862000      -1.833700      0.6932000    
 C    2.951600     -0.3367000      0.6683000    
 C    3.260600      -2.691400      0.2490000    
 C    1.455000     -0.4804000      0.3710000    
 C    1.763800      -2.834900     -4.7100000E-02
 C    5.156600      -1.201600      0.2153000    
 C  -0.4408000      -1.970300      0.4085000    
 C    5.679400      0.1562000     -0.1715000    
 C   -1.212200     -0.9673000       1.246800    
 C   -2.491900     -0.4224000      0.7033000    
 C    5.655200       1.187800      0.7567000    
 C    6.178600      0.3574000      -1.450900    
 C   -2.872800      0.8486000       1.066800    
 C   -3.240200      -1.213500     -0.1374000    
 C    6.139900       2.445800      0.3984000    
 C    6.663300       1.615300      -1.809200    
 C    6.643900       2.659400     -0.8846000    
 C   -4.436500     -0.7048000     -0.6433000    
 C   -4.069200       1.357200      0.5609000    
 C   -4.850900      0.5805000     -0.2942000    
 C   -4.924300      -1.366600      -2.874800    
 C   -4.027300       3.685100      7.6399997E-02
 C   -7.199500      0.8399000     -2.4200000E-02
 H    3.201300      0.6806000      0.3539000    
 H    3.122700     -0.4159000       1.750300    
 H    3.452400      -2.933300       1.303300    
 H    3.803400      -3.425800     -0.3585000    
 H   0.9455000      0.2912000      0.9566000    
 H    1.270000     -0.2495000     -0.6877000    
 H    1.591700      -2.744500      -1.128300    
 H    1.448800      -3.842500      0.2501000    
 H    5.372300      -1.389500       1.276600    
 H    5.722400      -1.962300     -0.3395000    
 H  -0.6326000      -1.806900     -0.6583000    
 H  -0.7936000      -2.969600      0.6883000    
 H    5.279900       1.033600       1.764400    
 H    6.196600     -0.4482000      -2.179600    
 H   -2.266400       1.460200       1.728600    
 H   -2.943600      -2.223000     -0.4047000    
 H    6.127900       3.258000       1.119300    
 H    7.055500       1.781900      -2.808200    
 H    7.021900       3.638700      -1.163300    
 H   -3.896600      -1.673300      -3.094000    
 H   -5.609200      -2.033000      -3.406100    
 H   -5.092900     -0.3423000      -3.221900    
 H   -2.934400       3.746600      7.1300000E-02
 H   -4.401400       3.556200     -0.9441000    
 H   -4.428300       4.618700      0.4804000    
 H   -7.114500       1.296700      0.9669000    
 H   -8.044500       1.295900     -0.5474000    
 H   -7.386700     -0.2341000      7.2300002E-02


%chk=000028806-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028806

0 1
O -0.646179 0.918104 1.457223
O -4.972332 -1.561089 -2.025981
O -5.565982 2.093547 1.273998
O -6.725846 0.284096 -0.661681
N 4.053484 -1.149152 0.269925
N 1.160994 -0.990187 0.371341
C 3.364609 0.090270 0.714166
C 3.229322 -2.339049 0.588758
C 1.981356 0.208570 0.059689
C 1.848697 -2.225311 -0.077009
C 5.432242 -1.257928 0.798836
C -0.216792 -0.915916 -0.119659
C 6.396386 -0.247291 0.182389
C -1.104281 0.124485 0.587238
C -2.558325 0.171192 0.199623
C 7.429583 0.328109 0.961890
C 6.305511 0.092333 -1.191281
C -3.393011 1.108899 0.861657
C -3.115342 -0.672008 -0.796029
C 8.363574 1.217188 0.381121
C 7.233733 0.983390 -1.773500
C 8.269157 1.547208 -0.990331
C -4.493020 -0.620009 -1.099335
C -4.761645 1.177969 0.556608
C -5.340584 0.284455 -0.395112
C -5.809372 -1.055595 -3.137915
C -6.207818 3.141883 0.445503
C -7.572139 -0.119049 0.493319
H 3.982066 0.960511 0.429039
H 3.236576 0.103159 1.825056
H 3.081673 -2.457087 1.692171
H 3.745155 -3.242341 0.210788
H 1.466478 1.097253 0.457402
H 2.111300 0.327168 -1.047105
H 1.987165 -2.242194 -1.188866
H 1.234762 -3.100998 0.207770
H 5.463653 -1.160216 1.914805
H 5.788507 -2.282274 0.564491
H -0.275249 -0.704937 -1.223724
H -0.693755 -1.906470 0.022234
H 7.502112 0.082041 2.029102
H 5.491407 -0.343680 -1.781004
H -2.963918 1.777720 1.613263
H -2.512950 -1.397264 -1.349392
H 9.157069 1.655270 0.997538
H 7.151641 1.239038 -2.836489
H 8.989581 2.238732 -1.442098
H -5.224250 -0.354463 -3.763760
H -6.071428 -1.949587 -3.723619
H -6.714872 -0.559191 -2.753693
H -5.434535 3.771311 -0.033509
H -6.861471 2.694207 -0.324719
H -6.799012 3.746635 1.149537
H -7.394586 0.549037 1.353982
H -8.609589 -0.029604 0.137672
H -7.352007 -1.166393 0.768276


