%chk=000094755.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094755

0 1
 O    2.785300     -0.3984000       2.162000    
 O   -5.598000      0.7155000      9.2299998E-02
 O   -4.103400       2.321500      0.1686000    
 N    1.373500     -0.8007000     -0.2284000    
 N   -4.405800       1.106600      8.6900003E-02
 C   -1.013100     -0.3909000     -0.1267000    
 C   -2.033400      0.5546000     -2.4599999E-02
 C   -3.366500      0.1441000     -1.4300000E-02
 C   -1.325700      -1.747200     -0.2182000    
 C    2.664500     -0.2456000     -0.2275000    
 C   0.3769000      3.6600001E-02 -0.1369000    
 C   -3.679200      -1.212200     -0.1059000    
 C   -2.658800      -2.157800     -0.2077000    
 C    3.348700     -5.4400001E-02  0.9699000    
 C    3.251600      0.1109000      -1.438500    
 C    4.629500      0.4978000      0.9562000    
 C    4.532500      0.6630000      -1.452300    
 C    5.221400      0.8565000     -0.2549000    
 H   -1.768200       1.607300      4.5499999E-02
 H  -0.5521000      -2.506200     -0.2986000    
 H   0.5660000       1.124300     -6.2600002E-02
 H   -4.706100      -1.568800     -0.1012000    
 H   -2.902200      -3.214000     -0.2789000    
 H    2.722900     -3.6600001E-02  -2.376500    
 H    5.177900      0.6544000       1.881400    
 H    4.993500      0.9422000      -2.395200    
 H    6.218700       1.286500     -0.2658000    
 H    3.408600     -0.1911000       2.879300    


%chk=000094755-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094755

0 1
O 2.395535 1.559636 1.488662
O -5.780185 0.097473 0.842282
O -4.287609 1.376738 1.996862
N 1.314885 -0.395556 -0.476073
N -4.577315 0.484640 1.108810
C -1.070207 -0.303806 -0.095040
C -2.141775 0.279453 0.626651
C -3.460363 -0.132625 0.348376
C -1.356080 -1.291903 -1.081788
C 2.679500 -0.073061 -0.300088
C 0.312202 0.127640 0.194065
C -3.757365 -1.110116 -0.626038
C -2.683262 -1.687221 -1.340760
C 3.258660 0.857928 0.628228
C 3.577220 -0.769462 -1.160304
C 4.656205 1.062688 0.674935
C 4.969449 -0.569210 -1.119052
C 5.512319 0.353734 -0.194128
H -1.966407 1.041580 1.392478
H -0.511004 -1.726647 -1.624630
H 0.437484 0.889407 0.979992
H -4.797139 -1.396151 -0.804220
H -2.889371 -2.447683 -2.100900
H 3.123462 -1.475764 -1.862432
H 5.075436 1.780216 1.393439
H 5.625912 -1.123458 -1.796823
H 6.593180 0.522908 -0.146814
H 2.905630 2.166522 2.081711


