%chk=000043677.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043677

0 1
 O    3.139800       1.098900      0.7289000    
 O   -1.419000       1.278700     -0.9608000    
 O  -0.1764000      -2.548800     -0.8759000    
 N  -3.4400001E-02 -0.7366000      0.1948000    
 N   0.2013000      -2.037100      0.1850000    
 C   0.9781000      5.7200000E-02  0.8775000    
 C    2.187000      0.3420000     -1.7100001E-02
 C   -1.363400     -0.4365000      0.7475000    
 C    1.833400       1.145300      -1.262200    
 C   -1.983300      0.7081000     -2.8000001E-02
 C   -3.363000       1.128600      0.4104000    
 H   0.5762000       1.035200       1.182100    
 H    1.300500     -0.4118000       1.818700    
 H    2.678300     -0.5907000     -0.3173000    
 H   -1.332600     -0.1932000       1.816900    
 H   -2.056600      -1.280800      0.6213000    
 H    2.741500       1.392700      -1.823400    
 H    1.365000       2.098900     -0.9946000    
 H    1.162100      0.5942000      -1.927000    
 H    3.396500      0.5672000       1.501500    
 H   -4.055800      0.2916000      0.2941000    
 H   -3.332700       1.452200       1.453700    
 H   -3.708800       1.961800     -0.2077000    


%chk=000043677-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043677

0 1
O 3.190111 1.216519 0.780181
O -1.450860 1.451715 -0.817786
O -0.497316 -2.594224 -0.795287
N -0.043695 -0.711858 0.358460
N 0.419144 -1.795286 -0.370529
C 0.982828 0.196259 0.915241
C 2.257908 0.337859 0.037200
C -1.472538 -0.523058 0.631652
C 1.997134 1.025275 -1.303029
C -2.067769 0.762346 0.031366
C -3.451850 1.129261 0.546158
H 0.532759 1.198552 1.017049
H 1.270388 -0.158756 1.927907
H 2.711276 -0.658893 -0.123240
H -1.677072 -0.554088 1.720582
H -1.981159 -1.401736 0.173974
H 2.941463 1.106326 -1.866941
H 1.594550 2.039425 -1.139963
H 1.267545 0.457382 -1.902892
H 3.596022 0.708446 1.528259
H -4.093996 0.236886 0.657047
H -3.364005 1.596204 1.547047
H -3.927167 1.852544 -0.134055


