%chk=000171417.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171417

0 1
 O    3.242000      0.1251000      0.3821000    
 O    1.728400     -0.1772000      -1.332600    
 N  -0.2689000     -0.7705000      0.5186000    
 N   -1.980300      -1.997000     -0.1931000    
 C   -1.291300      0.1178000      0.3034000    
 C    1.060800     -0.4572000      0.9873000    
 C   -2.348300     -0.6722000     -0.1404000    
 C  -0.7291000      -2.019800      0.2083000    
 C   -1.379800       1.502100      0.4543000    
 C   -3.573600     -6.1700001E-02 -0.4572000    
 C    2.013600     -0.1617000     -0.1430000    
 C   -2.606600       2.093000      0.1347000    
 C   -3.685200       1.326800     -0.3132000    
 C    4.263900      0.4302000     -0.5724000    
 C    5.554300      0.7225000      0.1632000    
 H   0.9974000      0.4062000       1.656100    
 H    1.426400      -1.322300       1.550800    
 H  -0.1120000      -2.904200      0.2916000    
 H  -0.5444000       2.100500      0.7991000    
 H   -4.417600     -0.6482000     -0.8060000    
 H   -2.721800       3.169300      0.2364000    
 H   -4.626100       1.814800     -0.5542000    
 H    4.405300     -0.4254000      -1.242000    
 H    3.965700       1.306100      -1.159100    
 H    6.359000      0.9603000     -0.5380000    
 H    5.423600       1.564900      0.8505000    
 H    5.856000     -0.1382000      0.7692000    


%chk=000171417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171417

0 1
O 3.165410 0.144183 0.369780
O 1.855296 -0.726850 -1.358466
N -0.307424 -0.979869 0.566829
N -2.203344 -2.031310 -0.184394
C -1.242622 0.043512 0.323609
C 1.067551 -0.802337 1.002763
C -2.424359 -0.631599 -0.136385
C -0.941246 -2.188229 0.230610
C -1.177202 1.444938 0.467577
C -3.579323 0.113832 -0.463773
C 2.029800 -0.468522 -0.151661
C -2.341655 2.170201 0.135406
C -3.523312 1.515838 -0.322553
C 4.250949 0.472720 -0.614320
C 5.370859 1.143306 0.172324
H 1.135835 -0.010021 1.767605
H 1.425581 -1.734902 1.476797
H -0.424228 -3.143694 0.309417
H -0.273215 1.960115 0.810524
H -4.481972 -0.394275 -0.816260
H -2.337148 3.261912 0.228388
H -4.403142 2.119358 -0.570820
H 4.571117 -0.468539 -1.096291
H 3.819574 1.129798 -1.390294
H 6.199879 1.403545 -0.510506
H 5.015704 2.069778 0.654618
H 5.764036 0.471110 0.953876


