%chk=000047698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047698

0 1
 O    3.949500       1.570400     -3.0700000E-02
 O  -0.7772000      0.6923000       1.623600    
 O   -3.185300      0.1306000      -1.531600    
 O   -5.409300       1.376300     -0.6403000    
 N   -1.456100      -1.056000      0.2601000    
 N   -4.667500      0.5295000      0.1944000    
 C   0.8801000     -0.3820000      0.3597000    
 C    1.767300      0.6943000      0.3786000    
 C  -0.4920000     -0.2013000      0.8070000    
 C    3.083400      0.5208000     -5.0000001E-02
 C    1.309000      -1.631600     -8.7700002E-02
 C   -2.862500     -0.9862000      0.5859000    
 C    3.512100     -0.7289000     -0.4974000    
 C    2.624900      -1.805100     -0.5163000    
 C   -3.556900     -4.5699999E-02 -0.3737000    
 C    5.280400       1.322500     -0.4815000    
 H    1.446000       1.675300      0.7208000    
 H   0.6610000      -2.503100     -8.9699998E-02
 H   -2.981200     -0.6496000       1.620400    
 H   -3.290500      -1.986900      0.4764000    
 H   -1.196000      -1.720000     -0.4613000    
 H    4.519800     -0.9340000     -0.8423000    
 H    2.960300      -2.780200     -0.8579000    
 H    5.300200       1.033200      -1.537700    
 H    5.793000      0.5957000      0.1579000    
 H    5.830800       2.265400     -0.3981000    
 H   -4.965600      0.4492000       1.160100    
 H   -5.656700       2.071300     -7.3000002E-03


%chk=000047698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047698

0 1
O 3.655703 1.692967 0.065688
O -1.080066 0.585555 1.411937
O -4.837833 -0.448633 -0.853517
O -4.300986 2.132328 -0.293220
N -1.604617 -1.310209 0.187533
N -3.563212 1.062622 0.320174
C 0.734400 -0.544325 0.241584
C 1.568552 0.589643 0.331329
C -0.697763 -0.379238 0.660071
C 2.926455 0.505622 -0.057138
C 1.265128 -1.782358 -0.219225
C -3.013111 -1.305558 0.623845
C 3.458825 -0.720745 -0.531390
C 2.618854 -1.856253 -0.600297
C -3.872636 -0.214938 -0.040463
C 5.070138 1.670093 -0.319867
H 1.164587 1.534564 0.705617
H 0.653064 -2.690918 -0.237540
H -3.037632 -1.178091 1.720967
H -3.469594 -2.272218 0.361611
H -1.324670 -1.960453 -0.547499
H 4.506396 -0.803897 -0.834843
H 3.035424 -2.808329 -0.946462
H 5.191150 1.411967 -1.389887
H 5.645664 0.958783 0.303755
H 5.429725 2.693705 -0.142539
H -2.735979 1.338064 0.875647
H -4.964967 1.616452 -0.854471


