%chk=000136843.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136843

0 1
 O   -2.558600      -1.900000      0.3658000    
 O   -1.524000       2.574600      4.8900001E-02
 N   -2.007000      0.3301000      0.2117000    
 C   0.6565000     -0.3332000     -0.2977000    
 C    1.115000     -0.3497000       1.171600    
 C    1.967100     -0.6878000      -1.019900    
 C    2.516200      0.2578000       1.160600    
 C    3.057200      5.5399999E-02 -0.2535000    
 C  -0.4288000      -1.369300     -0.5909000    
 C   0.1425000       1.045600     -0.7392000    
 C   -1.750200      -1.025600      5.4600000E-02
 C   -1.185900       1.402100     -0.1120000    
 H    1.178600      -1.381600       1.540600    
 H   0.4490000      0.1955000       1.847700    
 H    1.960300     -0.4172000      -2.080900    
 H    2.159700      -1.766700     -0.9582000    
 H    3.157600     -0.2152000       1.911300    
 H    2.474200       1.327400       1.395600    
 H    3.259200       1.027100     -0.7187000    
 H    3.996600     -0.5067000     -0.2529000    
 H  -0.1239000      -2.360200     -0.2334000    
 H  -0.6035000      -1.449300      -1.671100    
 H   5.0000002E-04   1.070500      -1.827100    
 H   0.8551000       1.838500     -0.4855000    
 H   -2.905500      0.5672000      0.6235000    


%chk=000136843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000136843

0 1
O -2.658686 -1.890609 0.366831
O -1.558060 2.602326 0.110835
N -2.044326 0.338099 0.202445
C 0.667659 -0.359175 -0.301832
C 1.127485 -0.355799 1.188835
C 1.994182 -0.702749 -1.037063
C 2.546636 0.287538 1.179077
C 3.101950 0.077629 -0.272385
C -0.445136 -1.394027 -0.593309
C 0.152875 1.042296 -0.729116
C -1.793009 -1.042595 0.024718
C -1.186792 1.418603 -0.107607
H 1.186435 -1.403390 1.543205
H 0.425723 0.174607 1.858514
H 1.958799 -0.454028 -2.114343
H 2.173178 -1.793230 -0.956680
H 3.197757 -0.176294 1.940596
H 2.490416 1.363994 1.422358
H 3.298831 1.051518 -0.756872
H 4.056741 -0.476980 -0.274092
H -0.171831 -2.399133 -0.227398
H -0.599295 -1.484018 -1.689157
H 0.027369 1.077030 -1.831580
H 0.863848 1.843631 -0.466848
H -2.954849 0.584055 0.611765


