%chk=000292426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292426

0 1
S 5.918650 2.241960 -0.682539
O 1.612446 -1.289619 -1.039130
O 1.580627 1.872678 0.198977
O 4.912628 -0.976321 2.510512
O -2.738851 -1.192510 -0.750514
O 5.791976 -2.705273 1.387807
O -2.262918 -0.934896 1.485162
N 2.770459 -0.934206 0.909979
N -0.742701 -0.310216 -0.180089
C 4.059768 -1.334234 0.297683
C 4.718441 -0.213424 -0.536022
C 0.399000 -0.210894 0.757861
C 1.641345 -0.840599 0.093485
C 4.807993 1.112261 0.202201
C 0.647774 1.277831 1.103568
C 5.011425 -1.789722 1.402078
C -1.942558 -0.840809 0.316827
C -4.132443 -1.533379 -0.442225
C -4.950080 -0.279757 -0.329772
C 4.858987 2.938991 -1.968065
C -4.990735 0.419331 0.886182
C -5.674243 0.193513 -1.432858
C -5.761031 1.578887 0.998500
C -6.445090 1.353909 -1.314779
C -6.490754 2.045699 -0.100304
H 3.867243 -2.222753 -0.379868
H 5.724629 -0.554024 -0.867123
H 4.129727 -0.092309 -1.473040
H 0.156858 -0.763417 1.715041
H 2.852962 -0.352092 1.748942
H 3.805464 1.575407 0.331960
H 5.231556 0.986834 1.221704
H 1.143706 1.388504 2.086941
H -0.300466 1.849915 1.104221
H -0.501169 -0.488887 -1.167324
H -4.385018 -2.154692 -1.323013
H -4.156292 -2.146298 0.479415
H 1.173216 1.982940 -0.689350
H 5.525848 -1.252330 3.245794
H 5.456996 3.666916 -2.533473
H 3.995894 3.463546 -1.544111
H 4.502898 2.174606 -2.665800
H -4.408135 0.057654 1.738959
H -5.635360 -0.336911 -2.383062
H -5.792750 2.119521 1.943181
H -7.009026 1.719594 -2.171253
H -7.092796 2.948377 -0.010169


%chk=000292426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292426

0 1
S 5.242220 2.699642 -1.063438
O 1.794884 -1.366244 -1.079535
O 0.876484 1.715783 0.348143
O 4.980051 -1.350964 2.559713
O -2.709132 -1.338919 -0.525977
O 6.541491 -2.024339 0.971861
O -2.186977 -0.813749 1.720399
N 3.017719 -1.051346 0.870519
N -0.553180 -0.893625 0.042934
C 4.314897 -1.292737 0.217820
C 4.763921 -0.094035 -0.688190
C 0.576645 -0.689596 0.951686
C 1.848515 -1.069563 0.156941
C 4.921481 1.228685 0.079188
C 0.632768 0.783252 1.449664
C 5.396998 -1.613686 1.240148
C -1.839545 -0.997239 0.519661
C -4.170090 -1.371329 -0.165067
C -4.818339 -0.015838 -0.345042
C 3.510280 2.894472 -1.790743
C -4.842765 0.915939 0.725510
C -5.409418 0.339353 -1.584290
C -5.444287 2.182513 0.554932
C -6.011650 1.605775 -1.755823
C -6.029909 2.530301 -0.685331
H 4.216765 -2.171703 -0.448101
H 5.714469 -0.369134 -1.178804
H 3.994769 0.004398 -1.473516
H 0.475586 -1.341395 1.844155
H 3.026976 -0.847079 1.872458
H 4.016342 1.466315 0.664387
H 5.791559 1.209567 0.759191
H 1.472747 0.932087 2.149062
H -0.315983 1.007546 1.974108
H -0.315782 -1.178606 -0.916245
H -4.575376 -2.118762 -0.864750
H -4.252179 -1.728863 0.875620
H 0.153154 1.596200 -0.320460
H 5.720550 -1.546856 3.194084
H 3.480472 3.895984 -2.247796
H 2.761322 2.824016 -0.985364
H 3.317950 2.130173 -2.559799
H -4.378968 0.642393 1.679944
H -5.394665 -0.376997 -2.415050
H -5.460256 2.895453 1.386864
H -6.467327 1.869997 -2.716610
H -6.499085 3.512063 -0.815963


