%chk=000280415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280415

0 1
S -1.022947 0.608829 -0.942814
O -1.140434 1.945910 -1.482594
O -0.387067 -0.437564 -1.721875
N -0.170402 0.653370 0.601929
N 1.230000 0.670563 0.478921
C -2.589531 0.083107 -0.436379
C -3.674314 0.965144 -0.505860
C -2.783259 -1.224504 0.020210
C -5.143062 -0.765406 0.351256
C -4.944903 0.547713 -0.112462
C -4.051842 -1.649404 0.416317
C 1.876141 -0.453636 0.337331
C -0.584936 1.830835 1.428175
C 3.361546 -0.332779 0.242254
C -6.498601 -1.212014 0.784746
C 1.325854 -1.838078 0.220134
C 4.002362 -0.662470 -0.961529
C 4.109230 0.092326 1.348571
C 5.393579 -0.573991 -1.050295
C 5.501819 0.173563 1.252388
C 6.144055 -0.160104 0.056036
H -3.525405 1.987244 -0.877065
H -1.940979 -1.921994 0.064810
H -5.784318 1.238244 -0.169406
H -4.195942 -2.667700 0.772093
H -1.631713 1.687205 1.738627
H -0.475794 2.800189 0.908457
H 0.030407 1.886771 2.344283
H -7.305257 -0.691315 0.249438
H -6.657364 -2.288622 0.629979
H -6.647965 -1.016702 1.858509
H 2.094537 -2.613782 0.315065
H 0.843703 -1.966925 -0.772635
H 0.555711 -2.030723 0.979130
H 3.413457 -0.975916 -1.823776
H 3.603724 0.366722 2.273430
H 5.893628 -0.824555 -1.984377
H 6.085173 0.502909 2.110326
H 7.227910 -0.093558 -0.016847


%chk=000280415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280415

0 1
S -1.672491 1.419242 -0.959478
O -2.259053 2.961934 -0.710091
O -1.424388 0.887451 -2.514657
N 0.223485 1.418324 0.705998
N 1.410384 0.958776 0.461836
C -3.018984 0.283156 -0.271213
C -3.833690 0.750621 0.773880
C -3.169120 -0.991857 -0.840265
C -5.018968 -1.413993 0.737392
C -4.837081 -0.109737 1.270770
C -4.180252 -1.835553 -0.327377
C 2.042776 0.121384 -0.335436
C 0.142404 2.855648 1.090833
C 3.326201 -0.440078 0.157368
C -6.083979 -2.337447 1.301928
C 1.537576 -0.218339 -1.727855
C 4.095146 -1.315275 -0.660124
C 3.810799 -0.126714 1.461683
C 5.307551 -1.860963 -0.186396
C 5.019520 -0.672280 1.930690
C 5.776056 -1.544083 1.108585
H -3.709648 1.769468 1.155081
H -2.539046 -1.293406 -1.683533
H -5.491970 0.239335 2.078077
H -4.322205 -2.830565 -0.765287
H -0.697231 3.312407 0.515554
H 1.083540 3.398417 0.903717
H -0.126585 2.900868 2.161574
H -7.000219 -1.782076 1.569988
H -6.360152 -3.126716 0.581855
H -5.725012 -2.839121 2.221499
H 2.272520 0.109379 -2.486943
H 0.570032 0.248018 -1.973513
H 1.428704 -1.315126 -1.828694
H 3.750705 -1.573897 -1.666019
H 3.227734 0.552084 2.093405
H 5.886460 -2.533176 -0.829037
H 5.377407 -0.419489 2.934778
H 6.717877 -1.967718 1.473926


