%chk=000045478.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045478

0 1
 O   -4.934200      0.9524000      0.2316000    
 O   -3.555700       2.155400     -0.9892000    
 N    1.717700      -2.170600      0.4415000    
 N   -3.804000       1.156800     -0.2721000    
 C   0.9199000     -0.2531000     -0.9113000    
 C    1.824700      -1.524700     -0.8786000    
 C  -0.4617000     -0.4929000     -0.3213000    
 C   0.3626000      -2.649600      0.7372000    
 C  -0.7108000      -1.617100      0.4856000    
 C    1.634400      0.9437000     -0.2857000    
 C    1.508900      -2.446400      -2.072000    
 C   -1.497800      0.4228000     -0.5662000    
 C    2.708200      -3.221300      0.6544000    
 C   -1.992500      -1.813300       1.020100    
 C   -2.765100      0.2219000     -2.0800000E-02
 C    1.501900       1.186900       1.075700    
 C    2.408100       1.775600      -1.085200    
 C   -3.012200     -0.8954000      0.7717000    
 C    2.154000       2.279800       1.646800    
 C    3.060300       2.868400     -0.5141000    
 C    2.933400       3.120400      0.8519000    
 H   0.7474000     -1.1000000E-03  -1.968900    
 H    2.865700      -1.199300      -1.015200    
 H   0.3211000      -2.928300       1.798000    
 H   0.1231000      -3.545500      0.1502000    
 H   0.4736000      -2.801000      -2.066400    
 H    1.665200      -1.909100      -3.014300    
 H    2.168900      -3.318900      -2.091500    
 H   -1.284200       1.288100      -1.190600    
 H    3.719900      -2.846500      0.4642000    
 H    2.538100      -4.098400      2.1500001E-02
 H    2.690800      -3.552200       1.698900    
 H   -2.201900      -2.686600       1.632900    
 H   0.9164000      0.5450000       1.726100    
 H    2.516300       1.587600      -2.149700    
 H   -3.987800      -1.087900       1.210700    
 H    2.058300       2.474300       2.711000    
 H    3.667800       3.522500      -1.132800    
 H    3.442000       3.970700       1.296800    


%chk=000045478-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045478

0 1
O -5.041504 0.944613 0.089481
O -3.597053 2.157978 -1.191582
N 1.690019 -2.160617 0.437814
N -3.873618 1.156797 -0.422847
C 0.928871 -0.247236 -0.942146
C 1.789348 -1.552006 -0.913735
C -0.462981 -0.497909 -0.355993
C 0.345421 -2.647516 0.776514
C -0.736210 -1.627416 0.463531
C 1.649453 0.931506 -0.274605
C 1.408841 -2.503640 -2.084583
C -1.506672 0.413741 -0.638072
C 2.755908 -3.117230 0.775426
C -2.043678 -1.825636 0.979630
C -2.792456 0.192848 -0.111185
C 1.793842 1.017444 1.134458
C 2.218541 1.950787 -1.080164
C -3.084207 -0.924243 0.704642
C 2.498382 2.092976 1.718991
C 2.921396 3.029810 -0.497239
C 3.064268 3.103807 0.906990
H 0.795364 0.023154 -2.009365
H 2.846890 -1.252887 -1.041648
H 0.322322 -2.885431 1.858820
H 0.087691 -3.606074 0.249844
H 0.328208 -2.736304 -2.090815
H 1.655652 -2.034379 -3.054318
H 1.967471 -3.455576 -2.023110
H -1.329178 1.297663 -1.258340
H 3.739666 -2.656651 0.578008
H 2.702481 -4.079181 0.207907
H 2.706529 -3.361982 1.852630
H -2.242570 -2.701198 1.609080
H 1.364876 0.232013 1.764025
H 2.107655 1.902019 -2.171315
H -4.094864 -1.059834 1.097144
H 2.602412 2.146424 2.808871
H 3.350155 3.811168 -1.134962
H 3.604127 3.941296 1.363120


