%chk=000214611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214611

0 1
S -4.909055 -0.220705 0.720100
O -2.354529 -1.561875 1.285062
N 1.931387 0.065211 -0.233209
N -3.582745 0.456001 -1.387603
C 2.350720 0.077502 1.197714
C 2.952052 0.605471 -1.192831
C 3.775846 -0.414469 1.507371
C 3.796752 1.761629 -0.636257
C 4.801281 0.725708 1.486874
C 5.064913 1.281775 0.081902
C 1.493313 -1.301784 -0.678413
C 0.138763 -1.664997 -0.046058
C -0.976299 -0.726894 -0.512554
C -2.240724 -0.909447 0.270716
C -3.448914 -0.200941 -0.251396
C -5.728328 0.713555 -0.475122
C -4.878084 0.979121 -1.520466
H 1.613011 -0.521366 1.779329
H 2.225619 1.127460 1.548852
H 2.362648 0.976106 -2.064334
H 3.631442 -0.186380 -1.578779
H 3.787342 -0.894912 2.504419
H 4.073267 -1.204452 0.792864
H 4.084611 2.422849 -1.477499
H 3.186238 2.393254 0.038610
H 5.756347 0.366761 1.918670
H 4.460853 1.543215 2.152638
H 5.779836 2.125035 0.158243
H 5.574236 0.513720 -0.532318
H 2.235955 -2.091825 -0.433456
H 1.388595 -1.297969 -1.785516
H 0.211602 -1.630514 1.063472
H -0.115716 -2.713222 -0.295619
H -0.633580 0.335715 -0.416084
H -1.168389 -0.841483 -1.601292
H -6.756393 1.016051 -0.366826
H -5.107173 1.543097 -2.420004


%chk=000214611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214611

0 1
S -4.924255 0.036757 0.871905
O -2.181514 -1.077755 1.581899
N 1.989630 -0.095971 -0.203895
N -3.592264 0.387837 -1.426812
C 2.399329 -0.103585 1.224284
C 2.920344 0.543286 -1.173786
C 3.882754 -0.469146 1.531039
C 3.694643 1.770330 -0.640742
C 4.818884 0.763311 1.502459
C 5.002859 1.413238 0.110418
C 1.477493 -1.393417 -0.707739
C 0.072648 -1.739635 -0.161643
C -0.931145 -0.613300 -0.479726
C -2.170822 -0.635987 0.391903
C -3.416304 -0.069248 -0.189466
C -5.745609 0.749975 -0.541145
C -4.890244 0.848821 -1.634583
H 1.725896 -0.807158 1.745321
H 2.194193 0.892618 1.665430
H 2.313621 0.844770 -2.051575
H 3.677365 -0.190375 -1.553362
H 3.930951 -0.922918 2.541109
H 4.237354 -1.245676 0.822187
H 3.963424 2.394355 -1.515911
H 3.030954 2.393520 -0.009702
H 5.816936 0.481047 1.893973
H 4.410363 1.519631 2.205332
H 5.612851 2.331051 0.231375
H 5.593367 0.730306 -0.535669
H 2.177603 -2.236803 -0.486142
H 1.419439 -1.315919 -1.811313
H 0.099185 -1.893374 0.932679
H -0.260835 -2.697811 -0.605688
H -0.394860 0.345983 -0.284708
H -1.223224 -0.588574 -1.544285
H -6.791104 1.045818 -0.481022
H -5.163206 1.249997 -2.611200


