%chk=000114034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114034

0 1
N 0.640674 0.888059 1.312919
N 3.376289 -0.850137 -1.460034
C -0.235919 1.996179 0.820175
C -1.728969 1.749725 1.099903
C 1.518512 0.306557 0.336891
C -2.269267 0.510772 0.441363
C 2.527441 1.097582 -0.266869
C 1.474457 -1.080164 0.040779
C -2.184508 0.346809 -0.950348
C -2.877021 -0.487420 1.218525
C 2.706642 2.548426 0.032650
C 3.416747 0.471344 -1.161813
C 0.454558 -1.989778 0.638868
C 2.425357 -1.603599 -0.854380
C -2.695965 -0.804638 -1.553262
C -3.392010 -1.635490 0.609282
C -3.300581 -1.798425 -0.775959
H -0.079352 2.189124 -0.263367
H 0.086625 2.917388 1.360617
H -1.898898 1.718290 2.196890
H -2.310436 2.630476 0.749399
H 0.087802 0.179464 1.809005
H -1.717312 1.115594 -1.562946
H -2.955872 -0.369594 2.297295
H 2.502836 2.764987 1.093698
H 3.733351 2.886122 -0.164874
H 2.037963 3.173275 -0.573446
H 4.204946 1.046840 -1.660693
H 0.542446 -3.018900 0.263892
H -0.570334 -1.659256 0.400853
H 0.550607 -2.046446 1.732165
H 2.428929 -2.669198 -1.109879
H -2.623331 -0.928384 -2.633287
H -3.867016 -2.404125 1.217330
H -3.700389 -2.692958 -1.248942


%chk=000114034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114034

0 1
N 0.433175 0.589939 0.633570
N 4.268813 -0.748736 -0.720779
C -0.292917 1.830821 0.303949
C -1.717239 1.786696 0.919656
C 1.707202 0.213352 0.180423
C -2.552479 0.607945 0.432207
C 2.782776 1.126473 -0.084059
C 1.965525 -1.194460 0.016925
C -3.021939 0.557520 -0.907452
C -2.858104 -0.475181 1.296490
C 2.722217 2.624788 0.159664
C 4.008220 0.576521 -0.534650
C 0.894928 -2.229977 0.302998
C 3.240715 -1.598420 -0.425859
C -3.771217 -0.545584 -1.370644
C -3.608556 -1.583041 0.836217
C -4.065754 -1.622369 -0.500111
H -0.371389 1.966439 -0.798039
H 0.229558 2.713153 0.707092
H -1.622450 1.751349 2.021131
H -2.216821 2.740581 0.664661
H -0.202074 -0.198808 0.783815
H -2.802764 1.389495 -1.588675
H -2.519935 -0.443662 2.340134
H 2.427887 2.854101 1.201361
H 3.719745 3.068125 -0.006515
H 2.016815 3.147534 -0.512165
H 4.843736 1.256436 -0.748182
H 1.276686 -3.243985 0.095768
H -0.009540 -2.084080 -0.322175
H 0.569403 -2.214876 1.363388
H 3.450065 -2.667330 -0.561840
H -4.128636 -0.566286 -2.406361
H -3.837911 -2.408357 1.519628
H -4.648737 -2.477615 -0.859173


