%chk=000217560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217560

0 1
S -5.189990 2.108726 -1.571573
O 1.594119 -1.521231 -0.134755
N -4.774312 0.091909 0.153902
C 2.622177 0.553337 -0.563379
C 2.705711 -0.709558 0.326045
C 3.892320 1.401488 -0.380731
C 5.244591 -0.641079 0.265411
C 3.991021 -1.517186 0.092804
C 5.160635 0.587450 -0.662956
C 1.313930 1.336493 -0.279183
C 6.513427 -1.451931 -0.019612
C 1.019659 2.331887 -1.407071
C 1.313030 2.047665 1.078991
C 1.002878 -2.392072 0.856856
C -0.481304 -2.462634 0.488829
C -1.199026 -1.143471 0.796652
C -2.645453 -1.156549 0.294385
C -3.347525 0.174867 0.611300
C -5.659902 1.076034 0.850596
C -4.927826 0.290710 -1.295233
C -5.615404 2.449005 0.168306
H 2.576057 0.201794 -1.626126
H 2.572115 -0.460964 1.399330
H 3.849023 2.276689 -1.056346
H 3.933351 1.813537 0.645474
H 5.284689 -0.282910 1.323816
H 4.024076 -2.380653 0.779341
H 3.960042 -1.952895 -0.925582
H 6.053956 1.224178 -0.529420
H 5.174813 0.262718 -1.720546
H 0.480087 0.568010 -0.264742
H 6.532028 -1.829422 -1.048074
H 7.414452 -0.845763 0.122255
H 6.592434 -2.317666 0.646412
H 1.794613 3.101518 -1.484526
H 0.956490 1.828462 -2.378137
H 0.065450 2.844675 -1.244267
H 2.038511 2.867673 1.110037
H 1.557511 1.357679 1.893073
H 0.329817 2.479099 1.294517
H 1.499749 -3.372873 0.754526
H 1.168324 -1.998276 1.873111
H -0.960749 -3.304120 1.021995
H -0.566139 -2.689502 -0.595016
H -0.627045 -0.310008 0.310904
H -1.170544 -0.939079 1.882687
H -3.209654 -1.992087 0.754750
H -2.666997 -1.351346 -0.795503
H -3.335953 0.346584 1.709321
H -2.795922 1.024149 0.152460
H -5.388574 1.145906 1.923615
H -6.693616 0.659462 0.816222
H -5.828872 -0.251110 -1.649630
H -4.055144 -0.048084 -1.883714
H -4.852705 3.114187 0.606700
H -6.584327 2.972982 0.217096


%chk=000217560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217560

0 1
S -5.488217 1.978439 -1.474094
O 1.443286 -1.092883 -0.107308
N -5.142652 -0.197393 0.220039
C 2.909353 0.771726 -0.648270
C 2.749672 -0.493043 0.232392
C 4.296406 1.412358 -0.374909
C 5.292876 -0.855051 0.274481
C 3.905967 -1.493485 0.009010
C 5.455405 0.414416 -0.598552
C 1.710729 1.763309 -0.504151
C 6.432572 -1.868342 0.037815
C 1.730754 2.842022 -1.614280
C 1.609565 2.424658 0.892697
C 0.960491 -2.098390 0.848111
C -0.528243 -2.332696 0.558085
C -1.409669 -1.099717 0.855679
C -2.873507 -1.286363 0.399599
C -3.741062 -0.051542 0.714696
C -6.127829 0.680039 0.895290
C -5.306294 0.004998 -1.197821
C -5.978751 2.143750 0.349650
H 2.902962 0.415193 -1.702416
H 2.736408 -0.197658 1.309827
H 4.431322 2.294605 -1.028656
H 4.336965 1.781853 0.670088
H 5.325524 -0.535676 1.340157
H 3.773969 -2.378324 0.662657
H 3.859388 -1.851306 -1.040170
H 6.425269 0.902109 -0.375695
H 5.485493 0.112602 -1.667020
H 0.800209 1.149646 -0.649614
H 6.436050 -2.214681 -1.013787
H 7.420373 -1.416345 0.247112
H 6.322111 -2.758564 0.685275
H 2.592530 3.528219 -1.507157
H 1.786961 2.380491 -2.618555
H 0.812505 3.457706 -1.577577
H 2.466387 3.095713 1.091492
H 1.568214 1.673495 1.703181
H 0.689973 3.035696 0.959800
H 1.529969 -3.045975 0.735606
H 1.106885 -1.728180 1.889592
H -0.875300 -3.200646 1.155144
H -0.630049 -2.613550 -0.508888
H -0.968277 -0.220947 0.346707
H -1.382642 -0.883701 1.945012
H -3.324840 -2.172843 0.886893
H -2.885762 -1.485922 -0.690961
H -3.789935 0.082866 1.811839
H -3.262165 0.861107 0.288029
H -5.987900 0.637925 1.988987
H -7.143217 0.312588 0.658012
H -6.247917 -0.424629 -1.568933
H -4.444814 -0.337663 -1.786280
H -5.185037 2.696756 0.878331
H -6.928362 2.697636 0.419404


