%chk=000056597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056597

0 1
 O    1.073500     -0.2328000      -1.940600    
 O   -4.355000       1.975700     -0.3265000    
 N   0.4820000      -2.254700      0.1951000    
 C   0.4440000     -0.8976000      0.7803000    
 C  -0.8367000     -0.1242000      0.4664000    
 C   -1.878400      -2.250600     -0.4214000    
 C   -1.950000     -0.7837000     -8.9400001E-02
 C  -0.7840000      -2.958100      0.3716000    
 C    1.710500     -0.1559000      0.3689000    
 C  -0.9539000       1.236900      0.7974000    
 C   -3.122300     -6.6600002E-02 -0.3681000    
 C    1.955400      0.1358000     -0.9696000    
 C    2.619200      0.2260000       1.351600    
 C   -3.210300       1.289600     -6.0300000E-02
 C   -2.129800       1.938900      0.5290000    
 C    3.119300      0.8155000      -1.328800    
 C    3.783200      0.9056000      0.9923000    
 C    4.033300       1.200300     -0.3478000    
 H   0.4466000      -1.024800       1.872600    
 H   -2.839000      -2.731600     -0.2011000    
 H   -1.691000      -2.354300      -1.497600    
 H   -1.043700      -3.020100       1.435900    
 H  -0.6820000      -3.985400      4.9000001E-03
 H    1.231300      -2.787900      0.6365000    
 H  -0.1297000       1.766300       1.268500    
 H   -3.973300     -0.5714000     -0.8197000    
 H    2.439000      4.4000000E-03   2.399900    
 H   -2.188700       2.993000      0.7869000    
 H    3.327000       1.051700      -2.369000    
 H    4.494700       1.205500       1.756000    
 H    4.939500       1.729500     -0.6274000    
 H    1.412700      5.7399999E-02  -2.804600    
 H   -4.240500       2.900400     -4.7400001E-02


%chk=000056597-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056597

0 1
O 0.942417 -0.068334 -1.888971
O -4.470013 1.916692 -0.396773
N 0.454412 -2.241545 0.340127
C 0.442041 -0.858981 0.862847
C -0.855638 -0.127063 0.482471
C -1.850541 -2.278705 -0.465403
C -1.954227 -0.801377 -0.118097
C -0.817178 -2.976312 0.440656
C 1.711472 -0.135946 0.406756
C -0.982594 1.245461 0.797331
C -3.144195 -0.089870 -0.394842
C 1.945511 0.218741 -0.952637
C 2.720170 0.171922 1.349066
C -3.249054 1.281178 -0.085680
C -2.163948 1.961494 0.516479
C 3.152076 0.851327 -1.337557
C 3.930342 0.803816 0.979132
C 4.143281 1.143064 -0.374669
H 0.477360 -0.851673 1.986029
H -2.839935 -2.766638 -0.376740
H -1.511406 -2.383205 -1.514201
H -1.217862 -3.024973 1.484949
H -0.647274 -4.013873 0.100004
H 1.282055 -2.764925 0.642491
H -0.137074 1.768614 1.260130
H -4.002901 -0.593418 -0.851684
H 2.546016 -0.094440 2.399706
H -2.239439 3.028544 0.764232
H 3.316047 1.117592 -2.390798
H 4.691185 1.027244 1.733921
H 5.072849 1.632567 -0.685460
H 1.199212 0.266084 -2.784825
H -4.440268 2.869739 -0.133489


