%chk=000158167.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158167

0 1
 O    1.519200     -0.4353000      -1.878900    
 O   -1.083400     -0.1341000       1.540500    
 O   -3.151000      -2.289700     -7.9999998E-04
 O   -2.503500       2.466700      2.2399999E-02
 N    2.874600     -0.5992000      -1.620400    
 N  -0.5137000     -0.2219000     -0.7458000    
 C    4.286000     -0.8079000      0.3485000    
 C    5.266500      0.3421000     -5.1300000E-02
 C    2.907700     -0.6301000     -0.3186000    
 C    4.910900      -2.149500     -0.1198000    
 C    4.222000     -0.8862000       1.893900    
 C    4.785400       1.758800      0.2907000    
 C    1.720200     -0.5052000      0.3406000    
 C    5.780200       2.807400     -0.1864000    
 C   0.8422000     -0.3806000     -0.7034000    
 C   -1.385300     -0.1095000      0.3524000    
 C   -2.819700      8.7300003E-02  1.2700000E-02
 C   -3.627700      -1.021000     -0.1468000    
 C   -3.302000       1.372900     -0.1333000    
 C   -4.973100     -0.8361000     -0.4652000    
 C   -4.647400       1.557700     -0.4518000    
 C   -5.483000      0.4531000     -0.6177000    
 C   -3.214300      -2.858800       1.304900    
 C   -2.411000       3.019000       1.333600    
 H    5.454600      0.2953000      -1.132900    
 H    6.239600      0.1731000      0.4298000    
 H    4.257700      -2.995700      0.1244000    
 H    5.073500      -2.163800      -1.203800    
 H    5.881500      -2.324900      0.3585000    
 H    5.222600     -0.9876000       2.330000    
 H    3.759500      5.2000000E-03   2.330700    
 H    3.631200      -1.749800       2.222200    
 H    3.816200       1.961800     -0.1766000    
 H    4.656300       1.866700       1.372500    
 H    1.495700     -0.5021000       1.396000    
 H    5.909700       2.760200      -1.272300    
 H    6.758100       2.663100      0.2839000    
 H    5.425000       3.810600      6.9700003E-02
 H  -0.9131000     -0.1665000      -1.679400    
 H   -5.630100      -1.691800     -0.5966000    
 H   -5.051600       2.559000     -0.5734000    
 H   -6.530500      0.5970000     -0.8661000    
 H   -2.715800      -2.222400       2.041600    
 H   -2.707100      -3.827200       1.280800    
 H   -4.257200      -3.018600       1.596500    
 H   -1.640800       3.795200       1.324100    
 H   -3.364100       3.477000       1.616100    
 H   -2.131900       2.259800       2.069900    


%chk=000158167-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158167

0 1
O 1.481726 -1.016783 -1.154129
O -0.997688 0.701968 1.793027
O -2.625506 -1.598347 -1.203482
O -3.220215 2.366403 1.562724
N 2.933019 -1.010039 -0.838538
N -0.555994 -0.285006 -0.266476
C 4.373331 -0.228896 1.045918
C 5.519205 -0.072633 -0.005281
C 3.014922 -0.370053 0.356965
C 4.624750 -1.537027 1.859675
C 4.349616 0.975347 2.024415
C 5.475732 1.208945 -0.867706
C 1.728697 0.046933 0.854530
C 6.614312 1.239531 -1.910786
C 0.818014 -0.370413 -0.105250
C -1.429714 0.257547 0.687394
C -2.889108 0.271948 0.307304
C -3.497176 -0.689256 -0.567519
C -3.750044 1.264530 0.875098
C -4.891842 -0.719880 -0.787223
C -5.147203 1.240971 0.650160
C -5.713160 0.243466 -0.163679
C -3.190349 -2.666908 -2.035827
C -3.245901 2.309171 3.039087
H 5.496205 -0.951220 -0.679262
H 6.483461 -0.110338 0.543583
H 3.812299 -1.717850 2.587084
H 4.684610 -2.409031 1.184521
H 5.577101 -1.457268 2.416838
H 5.357283 1.121997 2.455158
H 4.050842 1.911120 1.521083
H 3.648910 0.798935 2.860867
H 4.500680 1.265292 -1.388351
H 5.549648 2.106047 -0.221982
H 1.493000 0.573845 1.771230
H 6.540471 0.376271 -2.598617
H 7.606259 1.195406 -1.421213
H 6.579130 2.161357 -2.520332
H -0.983273 -0.781233 -1.062923
H -5.339238 -1.470352 -1.443415
H -5.759391 2.033604 1.090479
H -6.793904 0.225675 -0.339488
H -3.869233 -3.306784 -1.443051
H -2.322724 -3.252505 -2.372314
H -3.724030 -2.249165 -2.909756
H -2.935422 3.310776 3.372392
H -4.267768 2.087871 3.406706
H -2.525537 1.549533 3.385962


