%chk=000170739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170739

0 1
 O  -0.8001000       1.714200      0.2113000    
 O   -3.161300       2.819100     -0.7560000    
 N   -3.012100     -0.8801000     -0.6899000    
 C    3.623500     -6.3900001E-02 -0.8614000    
 C    2.538300      0.2203000      0.1210000    
 C   -2.733300       1.528600      -1.200700    
 C    3.965100      -1.572100      -1.010600    
 C   -3.419900      0.4717000     -0.3322000    
 C   -3.635600      -1.861500      0.1875000    
 C   -1.208900       1.471200      -1.131200    
 C    4.911000      0.7169000     -0.5224000    
 C    1.362100      0.8416000     -0.2987000    
 C   0.3543000       1.103700      0.6230000    
 C    2.699700     -0.1350000       1.460200    
 C    2.790200      -2.392100      -1.529700    
 C   -3.225800      -3.264800     -0.2479000    
 C   -3.240900      -1.600500       1.638300    
 C   0.5087000      0.7521000       1.959700    
 C    1.684900      0.1308000       2.379600    
 H    3.308300      0.2881000      -1.853800    
 H   -3.046700       1.418300      -2.245700    
 H    4.305000      -1.993400     -5.7200000E-02
 H    4.797500      -1.682100      -1.716900    
 H   -3.186400      0.7210000      0.7080000    
 H   -4.507500      0.5813000     -0.4342000    
 H   -4.727900      -1.797700      0.1016000    
 H  -0.7881000       2.266100      -1.758300    
 H  -0.8739000      0.4975000      -1.509000    
 H   -3.261400      -1.068900      -1.660200    
 H    4.704300       1.789200     -0.4318000    
 H    5.658900      0.5860000      -1.312000    
 H    5.358000      0.3798000      0.4191000    
 H    1.273700       1.138400      -1.339800    
 H    3.607100     -0.6197000       1.809400    
 H    2.426600      -1.996700      -2.483400    
 H    1.958700      -2.399800     -0.8186000    
 H    3.099600      -3.430000      -1.690200    
 H   -3.525200      -3.459800      -1.283800    
 H   -3.705200      -4.022200      0.3819000    
 H   -2.141300      -3.406200     -0.1766000    
 H   -3.512100      -2.458300       2.265300    
 H   -2.160500      -1.451000       1.747000    
 H   -3.761200     -0.7384000       2.067000    
 H  -0.2799000      0.9561000       2.678400    
 H    1.810100     -0.1463000       3.422300    
 H   -4.128500       2.855100     -0.8499000    


%chk=000170739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170739

0 1
O -0.957071 1.164307 0.393988
O -2.967881 2.964406 -0.751333
N -3.691445 -0.749094 -0.816913
C 3.778781 -0.062017 -0.864362
C 2.697854 0.250070 0.176384
C -2.810478 1.552587 -1.134652
C 4.328338 -1.512801 -0.722452
C -3.699507 0.622019 -0.275869
C -3.945289 -1.858074 0.146438
C -1.325033 1.217709 -1.027689
C 4.935475 0.970980 -0.804091
C 1.379505 0.563612 -0.241181
C 0.372123 0.853161 0.713768
C 2.993012 0.230724 1.562701
C 3.259191 -2.604252 -0.940620
C -4.338631 -3.119725 -0.648728
C -2.693086 -2.119432 1.012185
C 0.674684 0.834937 2.097336
C 1.984496 0.522881 2.510306
H 3.311400 0.013010 -1.868694
H -3.092718 1.423661 -2.205992
H 4.781672 -1.630935 0.282407
H 5.151007 -1.645330 -1.454181
H -3.294820 0.613828 0.749075
H -4.727790 1.065601 -0.221476
H -4.794236 -1.601281 0.828621
H -0.733119 2.000001 -1.542207
H -1.152820 0.229858 -1.498161
H -4.280969 -0.837453 -1.655016
H 4.557226 2.001500 -0.928562
H 5.677340 0.773315 -1.600624
H 5.461737 0.921815 0.167347
H 1.155143 0.576542 -1.312884
H 4.006280 -0.008573 1.904988
H 2.814272 -2.526055 -1.951162
H 2.440792 -2.509193 -0.204611
H 3.694470 -3.615593 -0.840449
H -5.274261 -2.963865 -1.220467
H -4.495742 -3.975462 0.031005
H -3.534687 -3.384522 -1.360380
H -2.909249 -2.876253 1.789274
H -1.866153 -2.485533 0.377070
H -2.344084 -1.200470 1.515141
H -0.116822 1.069941 2.815572
H 2.220444 0.509430 3.580607
H -3.927450 3.146618 -0.582955


