%chk=000122228.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122228

0 1
 O    2.932300       3.203300     -0.5971000    
 O   -5.099100      -1.570800      0.9639000    
 O   -6.088700      0.4509000      0.6925000    
 O    3.290600      -3.381200     -0.4827000    
 N    2.320000      0.1033000     -0.1487000    
 N   -4.250200       1.271200      -1.128500    
 C  -0.1470000     -3.6899999E-02  3.5200000E-02
 C   -1.460300      0.1068000     -0.7371000    
 C    1.056700      0.2248000     -0.8688000    
 C   -2.669500     -0.1176000      0.1812000    
 C   -4.030800     -4.3000001E-02 -0.5257000    
 C    2.953000       1.126200      0.4941000    
 C    3.036200      -1.050900     -2.3600001E-02
 C    4.106200      0.6156000       1.047800    
 C    4.158700     -0.7619000      0.7203000    
 C    2.413200       2.501100      0.5310000    
 C   -5.180900     -0.3256000      0.4243000    
 C    2.659800      -2.315300     -0.5782000    
 H  -7.9999998E-02  -1.046000      0.4608000    
 H  -0.1399000      0.6593000      0.8826000    
 H   -1.510300       1.107200      -1.182500    
 H   -1.485700     -0.6184000      -1.559300    
 H    1.074000     -0.4560000      -1.725300    
 H    1.003200       1.228700      -1.301900    
 H   -2.642500      0.6133000       1.001100    
 H   -2.566500      -1.101600      0.6567000    
 H   -4.076000     -0.7909000      -1.325800    
 H    4.832000       1.172200       1.624500    
 H    4.934700      -1.461600      0.9999000    
 H    1.321900       2.558900      0.5232000    
 H    2.757800       3.022000       1.430400    
 H   -4.245000       1.991100     -0.4071000    
 H   -5.169200       1.303700      -1.567800    
 H    1.707800      -2.353500      -1.130000    
 H    2.543700       2.814400      -1.398800    
 H   -5.842700      -1.752400       1.577500    


%chk=000122228-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122228

0 1
O 3.206267 3.348114 -0.903589
O -5.362177 -1.897885 0.270935
O -5.969889 0.161767 1.162898
O 3.144012 -3.447728 -0.087127
N 2.316756 0.157870 -0.177518
N -4.239301 1.475859 -0.759373
C -0.189476 -0.056012 0.072418
C -1.537059 0.080827 -0.668366
C 1.005583 0.264750 -0.854972
C -2.739632 -0.247571 0.239544
C -4.095795 0.043190 -0.472224
C 3.030590 1.216591 0.393025
C 2.996628 -1.051790 0.097702
C 4.182590 0.678303 1.016119
C 4.162019 -0.728067 0.835922
C 2.615998 2.652490 0.269578
C -5.238395 -0.508329 0.401316
C 2.539485 -2.362095 -0.340010
H -0.076704 -1.081757 0.474850
H -0.166776 0.629793 0.942552
H -1.667094 1.109294 -1.056567
H -1.549078 -0.598650 -1.546780
H 1.000745 -0.412741 -1.728471
H 0.897936 1.289809 -1.251413
H -2.690207 0.360968 1.165682
H -2.712051 -1.311356 0.542761
H -4.106526 -0.517447 -1.425039
H 4.940078 1.267876 1.530362
H 4.887309 -1.463273 1.178989
H 1.511906 2.759846 0.250963
H 2.998557 3.221205 1.131049
H -4.407368 2.029926 0.089489
H -4.941238 1.686583 -1.476645
H 1.594547 -2.377971 -0.940487
H 3.157572 2.749471 -1.692602
H -6.082311 -2.231460 0.873128


