%chk=000281410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281410

0 1
S -4.324593 2.728371 0.695024
O -4.581117 2.947138 -0.700874
O -4.225959 3.857529 1.597542
O 4.084676 1.591450 -1.475985
O 4.672290 -1.772279 2.009030
O 1.455225 -3.012808 -0.496180
N -5.693805 1.896735 1.410019
N 4.024590 -0.321042 0.333292
N 1.386882 -0.775365 1.123111
N 0.239592 -0.959765 1.562726
N -5.424886 -0.022087 0.047609
N -7.352922 0.197763 1.554396
C -2.979845 1.689107 0.925244
C 2.367923 -1.850285 1.407761
C -2.257613 1.741314 2.125667
C -2.596458 0.805795 -0.091443
C -0.788297 0.019857 1.296982
C -1.156822 0.910134 2.322638
C -1.494197 -0.033345 0.084828
C 5.282695 0.320559 0.089303
C 3.805311 -1.291969 1.296741
C 2.213769 -3.052977 0.436373
C 5.316613 1.355659 -0.897418
C -6.174967 0.663773 0.988916
C 6.468567 -0.014069 0.747337
C 6.500325 2.020571 -1.204403
C 7.659443 0.658166 0.435585
C 3.062652 -4.226090 0.789454
C 7.676558 1.662646 -0.528016
C -5.898323 -1.235204 -0.356581
C -7.092395 -1.767242 0.171266
C -7.785383 -1.014026 1.128230
C -5.099133 -1.974251 -1.373717
C 3.991496 2.649868 -2.459997
H 2.268801 -2.252926 2.460472
H -2.550653 2.447610 2.912994
H -3.162053 0.773625 -1.033518
H -0.593046 0.946438 3.253857
H -1.188117 -0.722502 -0.703267
H -6.271876 2.384675 2.119004
H 3.226609 0.054456 -0.205545
H 6.471100 -0.801182 1.511792
H 6.527844 2.805982 -1.953564
H 8.574505 0.384575 0.958979
H 4.020967 -3.950934 1.267008
H 3.299951 -4.831373 -0.100241
H 2.542943 -4.895525 1.492976
H 8.605639 2.180151 -0.764624
H -7.464034 -2.731297 -0.156209
H -8.719637 -1.375772 1.578447
H -5.698154 -2.184986 -2.273219
H -4.210721 -1.411512 -1.703270
H -4.745081 -2.938798 -0.978841
H 4.254071 3.611494 -2.009438
H 4.616879 2.416661 -3.326642
H 2.925169 2.614714 -2.721614


%chk=000281410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281410

0 1
S -4.009180 2.734737 1.332339
O -3.826617 3.355466 -0.151268
O -4.243641 3.690772 2.626294
O 2.990329 1.294154 -1.219620
O 5.142432 -1.949074 1.845193
O 1.477100 -3.639605 0.705416
N -5.489115 1.641437 1.448685
N 3.868478 -0.528247 0.456287
N 1.604265 -1.048559 1.663338
N 0.746372 -0.836559 2.609953
N -4.889167 0.247589 -0.364193
N -7.170643 0.310885 0.535394
C -2.558480 1.585293 1.690059
C 2.692211 -1.965347 2.053545
C -2.228007 1.365912 3.036224
C -1.850651 1.054671 0.597634
C -0.362428 0.002155 2.226992
C -1.114490 0.541168 3.301124
C -0.729282 0.252975 0.875177
C 4.861411 0.137765 -0.303895
C 4.038924 -1.472049 1.440829
C 2.396154 -3.418348 1.526520
C 4.388229 1.129076 -1.220154
C -5.858581 0.704062 0.488556
C 6.250243 -0.112957 -0.209044
C 5.290207 1.850121 -2.026792
C 7.151672 0.613817 -1.020287
C 3.289497 -4.491379 2.112756
C 6.677941 1.588170 -1.923932
C -5.267254 -0.706564 -1.268205
C -6.601445 -1.197514 -1.290022
C -7.515808 -0.658040 -0.361157
C -4.215516 -1.215033 -2.225525
C 2.420542 2.320962 -2.095133
H 2.820389 -2.030391 3.152629
H -2.808882 1.831137 3.838187
H -2.187935 1.262770 -0.421220
H -0.807281 0.313124 4.326134
H -0.140043 -0.200119 0.072625
H -6.228505 2.056460 2.029549
H 2.889025 -0.248919 0.278525
H 6.603275 -0.866856 0.497286
H 4.929181 2.607791 -2.728188
H 8.225076 0.413841 -0.940973
H 4.338347 -4.146076 2.151194
H 3.197368 -5.419657 1.528096
H 2.978274 -4.693423 3.156580
H 7.379335 2.148738 -2.550859
H -6.908451 -1.963728 -2.006051
H -8.558939 -0.989890 -0.326413
H -4.525930 -1.055466 -3.274347
H -3.262206 -0.692894 -2.053920
H -4.052805 -2.300558 -2.093101
H 2.815021 3.322934 -1.840614
H 2.626054 2.094982 -3.158779
H 1.336926 2.291495 -1.909434


