%chk=000161606.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161606

0 1
 O    3.821000      0.3990000      0.9755000    
 O    4.467900      -1.781200      -1.287600    
 O    5.427800      0.5890000      -2.232600    
 O    5.664500       2.380900       1.781700    
 O   -8.228400       1.549100     -0.6374000    
 N    1.630800     -0.2377000      0.3183000    
 N  -0.2048000       1.028100      0.3973000    
 N   0.6153000      -2.444100      0.3731000    
 N   -2.980200     -0.2072000      0.5256000    
 N   -1.818500      -2.298900      0.4830000    
 C    3.602900     -0.6529000      -1.170600    
 C    3.051000     -0.5866000      0.2545000    
 C    4.375800      0.6468000      -1.293300    
 C    4.884000      0.8550000      0.1227000    
 C    5.213200       2.302500      0.4410000    
 C   0.5739000      -1.103100      0.3697000    
 C    1.110500       1.030600      0.3379000    
 C  -0.5536000     -0.2990000      0.4177000    
 C   -1.784600     -0.9445000      0.4758000    
 C  -0.6339000      -2.954900      0.4320000    
 C   -4.274200     -0.8195000      0.5865000    
 C   -5.319000      0.2514000      0.6520000    
 C   -5.956700      0.8426000     -0.3770000    
 C   -6.962600       1.936200     -0.1188000    
 C   -5.722100      0.5187000      -1.826900    
 H    2.837100     -0.7526000      -1.946600    
 H    3.165700      -1.536600      0.7893000    
 H    3.685300       1.450300      -1.578000    
 H    5.761800      0.2289000      0.3295000    
 H    4.332300       2.945900      0.3479000    
 H    6.002300       2.687000     -0.2112000    
 H    3.924300      -2.577600      -1.160800    
 H    5.889500       1.444200      -2.212900    
 H    1.730000       1.916300      0.3025000    
 H    4.955800       2.034800       2.350800    
 H  -0.6988000      -4.037600      0.4393000    
 H   -2.896000      0.8039000      0.5136000    
 H   -4.362000      -1.445800       1.482600    
 H   -4.437400      -1.477900     -0.2736000    
 H   -5.562500      0.5797000       1.661900    
 H   -6.653800       2.860000     -0.6185000    
 H   -7.083300       2.160100      0.9463000    
 H   -6.612600      5.5000000E-02  -2.263000    
 H   -5.499800       1.434000      -2.386000    
 H   -4.880900     -0.1611000      -1.984700    
 H   -8.507800      0.7465000     -0.1644000    


%chk=000161606-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161606

0 1
O 3.960911 1.118533 0.587169
O 4.670492 -1.646095 2.031818
O 5.448581 -2.008190 -0.478579
O 5.203383 2.450696 -1.620067
O -8.347911 -0.790570 -0.369289
N 1.763729 0.441311 1.304041
N -0.302371 1.305387 1.826353
N 1.219458 -0.540641 -0.933241
N -2.659513 0.976075 -0.116222
N -1.140071 -0.186974 -1.535448
C 3.654495 -1.241999 1.066714
C 3.202863 0.189924 1.444133
C 4.302766 -1.090347 -0.346228
C 4.831595 0.356904 -0.360177
C 4.741067 1.065172 -1.713372
C 0.925231 0.134658 0.220969
C 0.970151 1.151252 2.225904
C -0.341205 0.671538 0.570154
C -1.405590 0.491272 -0.366254
C 0.125789 -0.652317 -1.747412
C -3.811534 0.813543 -1.025767
C -4.952892 0.089086 -0.341745
C -6.237913 0.524303 -0.186364
C -7.242429 -0.372268 0.523591
C -6.799230 1.845185 -0.676772
H 2.810740 -1.956728 1.070402
H 3.465399 0.382411 2.499116
H 3.536768 -1.253123 -1.123947
H 5.868384 0.383613 0.026078
H 3.695542 1.011939 -2.084591
H 5.414561 0.576146 -2.437837
H 5.400956 -2.075696 1.500400
H 5.178006 -2.816689 -0.979397
H 1.381515 1.522883 3.162386
H 4.680984 2.888019 -0.898900
H 0.281788 -1.182386 -2.692127
H -2.796980 1.454210 0.777654
H -3.434528 0.230850 -1.886104
H -4.128985 1.802848 -1.402788
H -4.680307 -0.895909 0.067912
H -7.763599 0.174947 1.329099
H -6.734911 -1.255764 0.962569
H -7.740709 1.666790 -1.228181
H -7.055712 2.497580 0.181585
H -6.111517 2.400737 -1.334168
H -7.958046 -1.294415 -1.128968


