%chk=000022562.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022562

0 1
 O    1.580800      0.9604000       1.275700    
 O    1.735700       2.938600     -0.6046000    
 O    3.849700     -0.8008000      0.7634000    
 N   -3.467900     -0.8818000      0.4493000    
 C  -0.7108000      0.5142000      0.6670000    
 C   -1.720300      0.6404000     -0.4545000    
 C   -2.303100     -0.8202000     -0.4409000    
 C   0.3405000       1.611000      0.8576000    
 C   -1.553500      0.1609000       1.965500    
 C   0.2604000     -0.5687000      0.2075000    
 C   -1.135600       1.218000      -1.747300    
 C   -1.429200      -1.792000      -1.270500    
 C   -3.126200     -8.0899999E-02   1.689200    
 C  -2.2000000E-03  -1.637100     -0.6855000    
 C  -0.4761000       2.561500      -1.437100    
 C   0.6426000       2.398900     -0.4259000    
 C    1.530200     -0.2596000      0.6423000    
 C   -4.693300     -0.4327000     -0.1915000    
 C    1.067500      -2.463100      -1.016900    
 C    2.593400      -1.079500      0.3342000    
 C    2.350000      -2.193100     -0.4902000    
 C    4.667300      5.5999998E-03 -8.6900003E-02
 H   -2.487200       1.376800     -0.1762000    
 H   -2.915400     -0.6922000      -1.352000    
 H   4.6399999E-02   2.337800       1.622600    
 H   -1.477400      0.9711000       2.699900    
 H   -1.149100     -0.7456000       2.433000    
 H   -1.938000       1.363100      -2.480100    
 H  -0.3974000      0.5612000      -2.216800    
 H   -1.406700      -1.573800      -2.345000    
 H   -1.767500      -2.822200      -1.116200    
 H   -3.556100     -0.5925000       2.557800    
 H   -3.601100      0.9084000       1.641800    
 H   -1.200200       3.278700      -1.036000    
 H  -5.7900000E-02   2.983300      -2.357500    
 H   -5.522400     -0.4773000      0.5243000    
 H   -4.975800      -1.095200      -1.018300    
 H   -4.638100      0.5953000     -0.5669000    
 H   0.9289000      -3.306600      -1.686600    
 H    3.174500      -2.849300     -0.7622000    
 H    4.207800      0.9867000     -0.2432000    
 H    4.827900     -0.4928000      -1.048100    
 H    5.635200      0.1455000      0.4019000    


%chk=000022562-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022562

0 1
O 1.692342 0.940161 0.983576
O 2.071703 2.646133 -1.184944
O 3.817189 -1.330894 0.464793
N -3.036926 -0.813033 0.483715
C -0.644061 0.719514 0.372279
C -1.739559 0.989764 -0.688898
C -2.524371 -0.356283 -0.847597
C 0.522333 1.751173 0.502779
C -1.332622 0.460357 1.763557
C 0.175138 -0.484862 -0.082002
C -1.163967 1.548634 -2.005868
C -1.660471 -1.496741 -1.467998
C -2.830986 0.111932 1.612038
C -0.266189 -1.561685 -0.859151
C -0.309986 2.817580 -1.712053
C 0.883089 2.440173 -0.839144
C 1.503400 -0.332931 0.353215
C -4.374623 -1.417702 0.427481
C 0.689069 -2.585237 -1.106136
C 2.466619 -1.333506 0.101710
C 2.009659 -2.476075 -0.618776
C 4.416428 -0.047197 0.886205
H -2.448413 1.748241 -0.297156
H -3.381680 -0.161134 -1.534953
H 0.344951 2.522604 1.273917
H -1.242922 1.361796 2.401153
H -0.808169 -0.363583 2.276926
H -1.984740 1.809569 -2.700824
H -0.530516 0.797995 -2.513313
H -1.575283 -1.351959 -2.566296
H -2.201070 -2.451168 -1.320871
H -3.181064 -0.391703 2.533044
H -3.439444 1.050640 1.522526
H -0.942218 3.559192 -1.180252
H 0.067029 3.284989 -2.637357
H -4.607412 -1.906138 1.391265
H -4.405631 -2.195921 -0.356864
H -5.190645 -0.682401 0.207354
H 0.413148 -3.462907 -1.702401
H 2.748600 -3.256957 -0.825874
H 3.985382 0.294808 1.842898
H 4.258891 0.732142 0.120346
H 5.488300 -0.266980 1.004048


