%chk=000048421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048421

0 1
 O  -0.5387000     -0.2576000       2.365300    
 O  -0.5418000     -0.3259000      -2.329900    
 O   -2.234800       3.267700     -3.3000000E-02
 N   -1.294800       1.544800       1.164400    
 N   -1.296900       1.510400      -1.181000    
 C    1.452300      0.4291000      5.7000001E-03
 C   5.0400000E-02 -0.1549000      1.5400000E-02
 C    2.306300     -3.7400000E-02   1.180600    
 C    2.280800     -1.5600000E-02  -1.195300    
 C    3.736100      0.2665000      0.7439000    
 C    3.717200      0.2923000     -0.7854000    
 C   0.1394000      -1.687700      3.7599999E-02
 C  -0.6287000      0.3350000       1.290400    
 C  -0.6306000      0.2976000      -1.272500    
 C   -1.216800      -2.337600      5.9700001E-02
 C   -1.635200       2.191400     -1.7700000E-02
 C   -1.835300      -2.682900      -1.264500    
 C   -1.829000      -2.635100       1.216300    
 H    1.416000       1.528600      1.5500000E-02
 H    2.262500      -1.106900       1.389600    
 H    2.065500      0.4899000       2.109400    
 H    2.018400      0.5251000      -2.110400    
 H    2.228100      -1.082800      -1.417100    
 H    4.439200     -0.4797000       1.128100    
 H    4.054200       1.242900       1.127300    
 H    4.011300       1.286200      -1.142400    
 H    4.420300     -0.4298000      -1.213100    
 H   0.6640000      -2.065500      0.9205000    
 H   0.6758000      -2.108400     -0.8173000    
 H   -1.640100       1.964500       2.023100    
 H   -1.643600       1.904600      -2.051100    
 H   -2.562100      -3.496700      -1.157700    
 H   -2.373500      -1.830300      -1.685900    
 H   -1.082700      -3.029800      -1.979600    
 H   -1.374300      -2.464000       2.183500    
 H   -2.804000      -3.112800       1.220000    


%chk=000048421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048421

0 1
O -0.328873 -0.218277 2.582165
O -0.684274 -0.150257 -2.226597
O -2.417625 3.284528 0.367472
N -1.272470 1.551064 1.441793
N -1.442683 1.586273 -0.911747
C 1.487649 0.502395 0.044550
C 0.027362 -0.154978 0.137560
C 2.470556 0.079098 1.175279
C 2.254319 0.221545 -1.298525
C 3.854815 0.409319 0.570737
C 3.728097 -0.093109 -0.891150
C 0.068408 -1.714904 0.126930
C -0.546434 0.344020 1.478432
C -0.735852 0.378386 -1.086713
C -1.291345 -2.400325 -0.087716
C -1.751387 2.222186 0.302599
C -1.465967 -3.143695 -1.399258
C -2.265517 -2.380653 0.862968
H 1.337256 1.599115 0.130093
H 2.401535 -1.007168 1.367800
H 2.270919 0.594150 2.129779
H 2.201281 1.109283 -1.953511
H 1.801476 -0.606202 -1.869494
H 4.684236 -0.068447 1.121446
H 4.027407 1.503527 0.587449
H 4.460362 0.377101 -1.570775
H 3.904883 -1.185095 -0.921272
H 0.487357 -2.028651 1.099003
H 0.766295 -2.034737 -0.665370
H -1.558798 1.947890 2.342804
H -1.857162 2.005987 -1.750410
H -2.468189 -3.598555 -1.480818
H -1.307042 -2.464283 -2.256548
H -0.714735 -3.954476 -1.486659
H -2.123964 -1.896865 1.835361
H -3.226994 -2.879991 0.694742


