%chk=000298169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298169

0 1
N -3.917506 -1.058452 -1.044110
C 1.646499 0.052942 -0.008934
C 0.159339 -0.190397 -0.280412
C 2.110907 -1.335330 0.451535
C 1.907726 1.160341 1.021097
C 2.413008 0.583124 -1.228391
C -0.795790 -0.021686 0.733925
C -0.262304 -0.702198 -1.519377
C 1.970547 -1.717998 1.795637
C 3.023700 1.100781 1.870228
C 3.787910 0.330607 -1.364377
C 2.579153 -2.278687 -0.476311
C 1.090187 2.301879 1.054183
C 1.780014 1.412938 -2.166828
C -2.144779 -0.290510 0.508807
C -1.605123 -0.971476 -1.768382
C -2.563640 -0.749220 -0.754339
C 2.338195 -3.000379 2.209904
C 3.286013 2.137982 2.769459
C 4.501530 0.855106 -2.444658
C 2.946584 -3.561018 -0.059362
C 1.354455 3.337391 1.953750
C 2.496033 1.936501 -3.246824
C 2.834571 -3.924458 1.285508
C 2.448791 3.255979 2.820112
C 3.856798 1.653639 -3.394129
C -5.057038 -0.521596 -0.393010
C -6.254392 -1.272302 -0.440683
C -5.040073 0.739196 0.235817
C -7.406834 -0.762212 0.154276
C -6.205723 1.224568 0.828900
C -7.389732 0.481463 0.795308
H -0.486442 0.313071 1.726682
H 0.470430 -0.898203 -2.305337
H 1.563659 -1.017154 2.524900
H 3.701595 0.247879 1.828711
H 4.310473 -0.270447 -0.619757
H 2.652267 -2.021436 -1.533097
H 0.248129 2.391739 0.367473
H 0.725333 1.665415 -2.054200
H -2.861622 -0.172378 1.319961
H -1.907345 -1.349726 -2.741425
H 2.231183 -3.281458 3.256306
H 4.150519 2.075175 3.428300
H 5.565385 0.645318 -2.542310
H 3.316259 -4.280177 -0.788366
H 0.708313 4.213394 1.974255
H 1.990747 2.572497 -3.971788
H 3.123061 -4.921733 1.609396
H 2.652385 4.061391 3.522039
H 4.412627 2.059597 -4.236194
H -4.084661 -1.752669 -1.769786
H -6.279386 -2.243230 -0.926829
H -4.134954 1.342776 0.241777
H -8.329568 -1.341648 0.121410
H -6.191480 2.198774 1.318035
H -8.291735 0.868415 1.260827


%chk=000298169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298169

0 1
N -3.970353 -1.116189 -0.816629
C 1.697068 0.066315 -0.011329
C 0.167632 -0.128407 -0.235834
C 2.180593 -1.360318 0.396100
C 2.012954 1.146607 1.069584
C 2.429252 0.613787 -1.276669
C -0.806450 0.254198 0.717691
C -0.286812 -0.871875 -1.358754
C 1.818866 -1.877664 1.669645
C 3.003347 0.963439 2.066169
C 3.849559 0.588318 -1.323054
C 2.836426 -2.230579 -0.509852
C 1.396377 2.423403 0.971486
C 1.743592 1.273406 -2.326504
C -2.175041 -0.045210 0.552237
C -1.646659 -1.164107 -1.547694
C -2.623582 -0.749026 -0.597069
C 2.129826 -3.202538 2.036298
C 3.346598 2.009584 2.953596
C 4.556706 1.171180 -2.394000
C 3.147092 -3.562058 -0.148017
C 1.732784 3.468023 1.855739
C 2.448763 1.862714 -3.401348
C 2.801741 -4.055224 1.128653
C 2.710326 3.266175 2.858573
C 3.858774 1.810606 -3.445662
C -5.157268 -0.564875 -0.282513
C -6.338910 -1.361221 -0.313421
C -5.241514 0.761927 0.227188
C -7.564169 -0.848916 0.156637
C -6.472376 1.258348 0.705884
C -7.641683 0.463430 0.680150
H -0.499211 0.787100 1.623075
H 0.437392 -1.233246 -2.096955
H 1.272042 -1.242331 2.375255
H 3.515881 0.000471 2.155711
H 4.408559 0.122636 -0.503712
H 3.108069 -1.873774 -1.508327
H 0.657700 2.606017 0.183054
H 0.650839 1.333856 -2.308834
H -2.881663 0.231222 1.339086
H -1.963120 -1.722586 -2.438014
H 1.839866 -3.572917 3.026244
H 4.115790 1.839814 3.715836
H 5.652074 1.135034 -2.403555
H 3.655613 -4.212401 -0.869110
H 1.239952 4.441934 1.756637
H 1.892421 2.366480 -4.200231
H 3.042133 -5.086677 1.409832
H 2.976651 4.076949 3.545880
H 4.405840 2.267716 -4.277818
H -4.106141 -1.904619 -1.451913
H -6.287281 -2.387330 -0.699947
H -4.363547 1.413072 0.214152
H -8.459199 -1.480499 0.122489
H -6.517841 2.284160 1.089643
H -8.592082 0.858368 1.053541


