%chk=000089367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089367

0 1
 O   -2.661400     -0.5393000       1.288800    
 O  -0.3456000      -2.182400      -1.268000    
 O  -1.3700000E-02   2.010500      0.7355000    
 O    2.131700       1.951000     -0.1499000    
 N   0.2343000     -0.1467000     -0.2063000    
 C   -1.981600     -0.4757000     -0.9204000    
 C   -1.861300      0.9157000     -0.3179000    
 C   -2.981100      -1.155700      1.7500000E-02
 C   -2.825900      0.8380000      0.8683000    
 C   -4.384400     -0.5975000     -0.2186000    
 C   -4.272300      0.8114000      0.3742000    
 C  -0.6014000      -1.071000     -0.8222000    
 C  -0.4258000       1.030400      0.1277000    
 C    1.622100     -0.3841000      6.5600000E-02
 C    2.537300      0.6713000      8.7499999E-02
 C    2.061600      -1.686900      0.3117000    
 C    3.884100      0.4250000      0.3537000    
 C    3.408500      -1.933300      0.5780000    
 C    4.319700     -0.8774000      0.5988000    
 C    2.155400       2.396700      -1.504000    
 H   -2.301500     -0.4694000      -1.967000    
 H   -2.093700       1.721600      -1.020300    
 H   -2.919000      -2.245200      6.6600002E-02
 H   -2.630000       1.537100       1.684500    
 H   -5.127900      -1.171900      0.3455000    
 H   -4.674700     -0.5973000      -1.273200    
 H   -4.491600       1.600600     -0.3509000    
 H   -4.969100      0.9096000       1.214200    
 H    1.380900      -2.531600      0.3449000    
 H    4.599600       1.242500      0.3730000    
 H    3.746700      -2.945700      0.7784000    
 H    5.368000      -1.068900      0.8084000    
 H    3.185900       2.440600      -1.870200    
 H    1.728700       3.402800      -1.541100    
 H    1.558900       1.740000      -2.145300    


%chk=000089367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089367

0 1
O -2.815893 -1.338173 0.731934
O -0.123865 -0.944145 -1.979236
O -0.269006 1.192042 2.209027
O 1.958612 1.279529 -1.543749
N 0.141504 0.113184 0.132046
C -2.026750 0.218685 -0.873975
C -2.079223 0.907849 0.525148
C -3.041488 -0.956478 -0.697646
C -3.112493 0.017827 1.289357
C -4.486175 -0.385508 -0.671954
C -4.536643 0.308046 0.740351
C -0.587667 -0.279866 -1.028216
C -0.663625 0.786519 1.092461
C 1.539528 -0.160978 0.315605
C 2.484945 0.420139 -0.576854
C 1.972642 -0.984847 1.371599
C 3.860465 0.124227 -0.421232
C 3.347577 -1.260261 1.541142
C 4.282624 -0.712318 0.636496
C 2.872907 1.790281 -2.568538
H -2.284929 0.867637 -1.726442
H -2.376286 1.968951 0.515657
H -2.858811 -1.829188 -1.337602
H -2.992079 -0.004387 2.380129
H -5.219412 -1.205634 -0.737834
H -4.675264 0.315300 -1.503657
H -4.751255 1.389299 0.682639
H -5.296162 -0.160853 1.386667
H 1.227073 -1.407760 2.051638
H 4.601807 0.545839 -1.106098
H 3.679992 -1.901257 2.363279
H 5.349992 -0.930817 0.752029
H 3.656399 2.433284 -2.122729
H 2.241677 2.387758 -3.242024
H 3.340684 0.960874 -3.131921


