%chk=000025686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025686

0 1
 I   0.2942000       2.302500     -0.9580000    
 I   -3.318300      -2.378200      0.6594000    
 I    2.568600      -3.220700      0.1962000    
 O    2.370300     -9.3099996E-02 -0.5820000    
 O   -3.803800       2.199600      0.8115000    
 O    5.132900       1.476500       1.078900    
 O    4.868000      0.8621000      -1.098300    
 N   -2.382800      0.6264000     -0.2235000    
 C   -1.266300     -0.2168000     -0.1338000    
 C   -3.029600      0.8007000      -1.557400    
 C   9.9999998E-03  0.2757000     -0.4070000    
 C   -1.435500      -1.552800      0.2294000    
 C    1.117100     -0.5682000     -0.3171000    
 C   -2.872400       1.394000      0.8845000    
 C   -4.183500     -0.1627000      -1.744700    
 C  -0.3285000      -2.396600      0.3192000    
 C   0.9478000      -1.904400      4.6000000E-02
 C   -2.231000       1.176600       2.235800    
 C    3.100400      0.4456000      0.5160000    
 C    4.442300      0.9336000      4.4900000E-02
 H   -3.401300       1.829100      -1.625400    
 H   -2.287900      0.6615000      -2.351700    
 H   -3.832800      -1.173400      -1.961300    
 H   -4.869600     -0.1603000     -0.8935000    
 H   -4.763600      0.1431000      -2.623300    
 H  -0.4591000      -3.439000      0.6023000    
 H   -1.148300       1.308700       2.179500    
 H   -2.464800      0.1790000       2.612000    
 H   -2.621100       1.912200       2.946200    
 H    2.563600       1.289500      0.9602000    
 H    3.265300     -0.3211000       1.279500    
 H    6.014100       1.804200      0.7986000    


%chk=000025686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025686

0 1
I 0.218938 2.322629 -0.842095
I -3.292484 -2.504623 0.896026
I 2.710645 -3.196229 0.183023
O 2.395770 -0.034947 -0.613345
O -4.082474 2.010122 0.704115
O 5.345248 1.422158 0.948614
O 4.946347 0.838861 -1.275249
N -2.477434 0.582452 -0.173442
C -1.321189 -0.247865 -0.019541
C -3.004068 0.839194 -1.551538
C -0.017541 0.264017 -0.302051
C -1.408402 -1.611462 0.385889
C 1.146230 -0.546681 -0.229686
C -3.073061 1.273598 0.902172
C -4.237910 -0.007861 -1.914784
C -0.264340 -2.434845 0.466476
C 1.002353 -1.907301 0.146935
C -2.432549 1.109698 2.275711
C 3.221616 0.487299 0.485249
C 4.560773 0.910446 -0.098441
H -3.267822 1.910503 -1.594923
H -2.178493 0.656435 -2.262214
H -4.002999 -1.085222 -1.947825
H -5.044040 0.158209 -1.181425
H -4.608251 0.297303 -2.911188
H -0.361812 -3.481159 0.761511
H -1.351311 1.334511 2.251296
H -2.559235 0.081573 2.659631
H -2.932577 1.806360 2.964345
H 2.739258 1.365231 0.957326
H 3.394958 -0.285755 1.258955
H 6.230255 1.706650 0.593572


