%chk=000020794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020794

0 1
 O    3.744900       1.101400       1.153000    
 O    3.776800      0.1169000     -0.8936000    
 N   -1.059500     -0.5362000      0.1086000    
 C   -1.264300      0.3886000      -1.015100    
 C   -2.333700      -1.110500      0.5630000    
 C   -2.201600       1.532300     -0.6244000    
 C   -3.306000     -1.5699999E-02   1.005400    
 C   -3.533800       1.004600     -0.1040000    
 C  -0.1248000      -1.597100     -0.2659000    
 C    1.236200      -1.000200     -0.6263000    
 C    1.857200     -0.2239000      0.5311000    
 C    3.208600      0.3398000      0.1680000    
 H   -1.669000     -0.1383000      -1.889300    
 H  -0.3348000      0.8742000      -1.323900    
 H   -2.158100      -1.775100       1.417700    
 H   -2.795200      -1.713800     -0.2299000    
 H   -2.375500       2.181700      -1.489900    
 H   -1.726400       2.149900      0.1486000    
 H   -2.907800      0.4923000       1.893100    
 H   -4.262100     -0.4651000       1.296300    
 H   -4.148000       1.832700      0.2664000    
 H   -4.087400      0.5343000     -0.9258000    
 H  -0.5030000      -2.185300      -1.111900    
 H   1.0700000E-02  -2.289200      0.5748000    
 H    1.210200     -0.4031000      -1.543800    
 H    1.902600      -1.839600     -0.8704000    
 H    1.985600     -0.8805000       1.398500    
 H    1.221600      0.6214000      0.8152000    
 H    4.628000       1.450500      0.9066000    


%chk=000020794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020794

0 1
O 3.872441 0.717800 1.424086
O 3.386468 1.015280 -0.823978
N -1.050544 -0.534901 -0.046053
C -1.384956 0.332980 -1.206410
C -2.279701 -1.048841 0.614489
C -2.254085 1.531391 -0.774553
C -3.174030 0.108082 1.105296
C -3.538937 1.051173 -0.063517
C -0.100865 -1.621270 -0.395055
C 1.335587 -1.106401 -0.639029
C 1.874299 -0.345483 0.589605
C 3.081640 0.506490 0.279636
H -1.929706 -0.254674 -1.993470
H -0.448146 0.699156 -1.662494
H -1.974230 -1.683425 1.467870
H -2.873489 -1.695511 -0.085817
H -2.502573 2.142599 -1.663363
H -1.665371 2.167272 -0.085125
H -2.626280 0.676305 1.882144
H -4.086989 -0.307618 1.573821
H -4.126886 1.913631 0.303409
H -4.179658 0.507218 -0.788496
H -0.440003 -2.193268 -1.296236
H -0.089571 -2.336097 0.451368
H 1.372962 -0.439973 -1.519332
H 1.986895 -1.969412 -0.876487
H 2.114877 -1.022976 1.427704
H 1.060823 0.321082 0.949197
H 4.631428 1.316391 1.182892


