%chk=000174967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174967

0 1
 O   -2.849100      0.3905000      0.2343000    
 O   -5.452700     -0.5742000     -0.1109000    
 N   0.8158000     -9.3999999E-03  0.1637000    
 C    1.347400       1.272400      0.6301000    
 C    1.656600      -1.110100      0.6189000    
 C  -0.5614000     -0.1868000      0.6275000    
 C    2.502000       1.724400     -0.2622000    
 C    1.417400      -2.350900     -0.2398000    
 C    3.058700       3.073200      0.1952000    
 C    2.305800      -3.512300      0.2077000    
 C   -1.526400      0.6052000     -0.2402000    
 C    4.231600       3.513300     -0.6664000    
 C    2.048300      -4.761800     -0.6193000    
 C   -3.802800       1.106900     -0.5382000    
 C   -5.191400      0.8196000     -3.9999999E-04
 H    1.666800       1.211400       1.679300    
 H   0.5893000       2.062500      0.5926000    
 H    1.479700      -1.333700       1.679600    
 H    2.721300     -0.8659000      0.5350000    
 H  -0.6738000      9.5299996E-02   1.683600    
 H  -0.8875000      -1.231900      0.5841000    
 H    3.318400      0.9944000     -0.2597000    
 H    2.154800       1.809600      -1.300000    
 H    1.629900      -2.117900      -1.291200    
 H   0.3745000      -2.680500     -0.1932000    
 H    2.272600       3.836000      0.1505000    
 H    3.387200       3.005900       1.238900    
 H    3.361500      -3.231300      0.1166000    
 H    2.119700      -3.738200       1.264200    
 H   -1.456700      0.2667000      -1.281500    
 H   -1.316200       1.679000     -0.2109000    
 H    4.611600       4.480800     -0.3234000    
 H    5.050800       2.789200     -0.6143000    
 H    3.931200       3.618200      -1.713800    
 H    2.251800      -4.579300      -1.679400    
 H    2.696300      -5.577900     -0.2847000    
 H    1.009100      -5.091300     -0.5204000    
 H   -3.735700      0.7777000      -1.581700    
 H   -3.597400       2.181500     -0.4820000    
 H   -5.259000       1.089900       1.058100    
 H   -5.949000       1.368000     -0.5676000    
 H   -6.346500     -0.7252000      0.2410000    


%chk=000174967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174967

0 1
O -2.936132 0.546941 0.246754
O -5.484805 -0.636366 0.254049
N 0.771737 0.054944 0.376015
C 1.409166 1.339660 0.767513
C 1.580822 -1.141191 0.722847
C -0.649300 -0.044957 0.787467
C 2.514506 1.791013 -0.210201
C 1.339213 -2.332295 -0.228371
C 3.216504 3.091407 0.244694
C 2.161858 -3.581826 0.161428
C -1.564261 0.571427 -0.280412
C 4.302204 3.562742 -0.746434
C 1.938738 -4.767462 -0.802136
C -3.938917 1.017349 -0.721731
C -5.295067 0.783705 -0.053323
H 1.828913 1.287434 1.804973
H 0.623791 2.119982 0.791643
H 1.400288 -1.466586 1.779676
H 2.649099 -0.859149 0.663350
H -0.848168 0.453329 1.765026
H -0.923886 -1.107735 0.910948
H 3.271915 0.988601 -0.320390
H 2.062907 1.931055 -1.211820
H 1.593200 -2.014668 -1.258502
H 0.261751 -2.595886 -0.238653
H 2.459568 3.892826 0.372132
H 3.670721 2.932752 1.244419
H 3.239805 -3.319585 0.181324
H 1.898064 -3.889290 1.194293
H -1.496019 -0.013217 -1.221990
H -1.263303 1.619240 -0.499656
H 4.792503 4.490651 -0.398890
H 5.086405 2.792227 -0.871357
H 3.868165 3.762316 -1.744208
H 2.224173 -4.496266 -1.835976
H 2.536539 -5.649009 -0.505950
H 0.874673 -5.070236 -0.817806
H -3.860832 0.426714 -1.659948
H -3.783609 2.093613 -0.955653
H -5.362083 1.401085 0.867217
H -6.116352 1.062616 -0.734728
H -4.649995 -0.934903 0.702069


