%chk=000287747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287747

0 1
O 5.267282 0.003977 -0.880938
N -2.409875 -0.686104 -0.442803
N -3.676890 -0.122711 -0.153348
C 1.089351 1.619021 -0.221627
C 3.373159 -0.200280 0.529628
C 1.992909 1.889060 1.012140
C 1.091545 0.110409 -0.453666
C 3.401452 1.306521 0.852777
C 2.464760 -0.459031 -0.691709
C -0.332371 2.180485 0.046946
C 4.809642 -0.741270 0.271905
C 1.642638 2.339853 -1.466852
C -0.010983 -0.663525 -0.389165
C -1.239257 1.193516 0.783524
C -1.334749 -0.073982 -0.036379
C 4.822318 -2.235761 -0.075686
C 5.762481 -0.462741 1.442018
C -0.007454 -2.141478 -0.627450
C -4.626572 -0.637770 -1.210363
C -4.144002 -0.536255 1.224506
C -6.016335 -0.027459 -0.974003
C -5.526095 0.079979 1.489532
C -6.540306 -0.364622 0.427696
H 2.954292 -0.750691 1.405969
H 1.510158 1.460192 1.910768
H 2.064504 2.977612 1.189756
H 3.945229 1.835756 0.041492
H 3.978365 1.489217 1.777827
H 2.413165 -1.546910 -0.908129
H 2.923900 0.000818 -1.594577
H -0.814409 2.444981 -0.917416
H -0.266063 3.127932 0.611304
H 1.072789 2.075254 -2.364020
H 1.605757 3.426696 -1.350365
H 2.689915 2.069020 -1.656196
H -2.239123 1.650372 0.937274
H -0.842963 0.960429 1.790227
H 4.326521 -2.418334 -1.037619
H 4.304679 -2.830344 0.683830
H 5.839335 -2.630089 -0.160644
H 5.352587 -0.824038 2.390441
H 6.735477 -0.943696 1.303773
H 5.949437 0.613425 1.546828
H -0.389611 -2.684030 0.247330
H 0.992279 -2.533252 -0.859655
H -0.672238 -2.393546 -1.469965
H 6.165958 -0.261920 -1.137887
H -4.682948 -1.746580 -1.229849
H -4.230724 -0.319776 -2.199639
H -3.410643 -0.160609 1.967781
H -4.186447 -1.640449 1.340999
H -6.716039 -0.393042 -1.747198
H -5.961333 1.072863 -1.096780
H -5.444825 1.185442 1.486090
H -5.871933 -0.206224 2.499250
H -7.513745 0.129880 0.600022
H -6.727053 -1.451993 0.511895


%chk=000287747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287747

0 1
O 5.415491 0.026275 -0.530382
N -2.412715 -0.704291 -0.734361
N -3.683277 -0.215842 -0.241146
C 1.131524 1.726235 -0.401369
C 3.258488 -0.242973 0.544802
C 1.828800 1.869883 0.991433
C 1.134687 0.231579 -0.750367
C 3.237090 1.230962 1.038328
C 2.521041 -0.380263 -0.831427
C -0.309256 2.301007 -0.365449
C 4.711149 -0.818945 0.479282
C 1.918022 2.543762 -1.471505
C -0.015125 -0.527444 -0.871158
C -1.337943 1.350447 0.274140
C -1.331771 0.016702 -0.454479
C 4.736276 -2.292705 0.007544
C 5.442655 -0.694217 1.837311
C 0.006681 -1.979068 -1.339206
C -4.761877 -0.941588 -0.968902
C -3.856424 -0.353789 1.240080
C -6.139505 -0.355893 -0.601610
C -5.211244 0.239621 1.678714
C -6.381001 -0.432244 0.923709
H 2.704707 -0.864815 1.281843
H 1.185717 1.395491 1.761101
H 1.904412 2.945619 1.252097
H 3.945664 1.813624 0.421465
H 3.607548 1.283522 2.080060
H 2.451790 -1.444998 -1.101771
H 3.150578 0.112011 -1.596377
H -0.633395 2.512577 -1.403616
H -0.301619 3.269846 0.173001
H 1.489626 2.374837 -2.476617
H 1.838861 3.624399 -1.243213
H 2.989192 2.286908 -1.511771
H -2.355343 1.781802 0.219612
H -1.099011 1.202894 1.347459
H 4.387211 -2.383223 -1.034257
H 4.096539 -2.928232 0.647818
H 5.766018 -2.696750 0.056835
H 4.869958 -1.184762 2.646404
H 6.437046 -1.179250 1.788836
H 5.593555 0.363735 2.106315
H 0.285352 -2.671438 -0.519877
H 0.716064 -2.134254 -2.170401
H -1.005061 -2.259939 -1.671666
H 6.342746 -0.309991 -0.626723
H -4.730424 -2.031058 -0.724831
H -4.561889 -0.837275 -2.047984
H -3.030520 0.164376 1.752588
H -3.805100 -1.433146 1.526889
H -6.926839 -0.906279 -1.151336
H -6.179510 0.701059 -0.930284
H -5.209738 1.327128 1.468965
H -5.325146 0.110543 2.772596
H -7.341172 0.048017 1.191321
H -6.452684 -1.495990 1.231138


