%chk=000211965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211965

0 1
S -6.810820 1.661950 -0.122939
O -0.351596 1.695503 0.964355
O -0.098315 -2.588858 0.404901
O 4.791895 -1.241671 2.799449
O 4.022935 -0.032124 -1.935341
O 5.907198 -0.232339 0.268696
N -1.805487 0.358606 -0.157288
N -4.561712 0.437866 -1.144105
N -6.342722 -0.906150 -0.139267
C -2.292735 1.511083 -0.960384
C -2.612112 -0.889827 -0.248001
C -3.813400 1.695430 -0.813041
C -3.694103 -0.762241 -1.332752
C -0.842562 0.585996 0.829643
C -5.759595 0.246501 -0.461124
C -0.403324 -0.594652 1.674037
C 0.407791 -1.597786 0.873880
C 1.862163 -1.260791 0.711320
C -8.056022 0.594900 0.466382
C -7.641325 -0.699371 0.370053
C 2.319433 -0.841397 -0.540449
C 2.721142 -1.389283 1.799286
C 4.083032 -1.048097 1.647243
C 3.674318 -0.510301 -0.687692
C 4.565689 -0.574796 0.407109
C 6.224207 -1.000670 2.787919
C 5.189895 -0.649569 -2.547502
C 6.105371 1.206200 0.122166
H -2.013263 1.342243 -2.025513
H -1.764814 2.443370 -0.634244
H -3.087124 -1.111322 0.735828
H -1.937075 -1.750437 -0.485074
H -4.164847 2.481157 -1.523263
H -4.042170 2.053877 0.217604
H -3.237079 -0.670989 -2.345596
H -4.316943 -1.689873 -1.352461
H -1.273936 -1.096979 2.146662
H 0.202555 -0.194659 2.522383
H -8.989346 0.976794 0.836398
H -8.202009 -1.587076 0.653527
H 1.655240 -0.767026 -1.400216
H 2.377949 -1.746782 2.768568
H 6.412834 0.073512 2.715179
H 6.699527 -1.538724 1.959882
H 6.523049 -1.403521 3.762789
H 5.360657 -0.002428 -3.414759
H 4.924651 -1.665936 -2.853057
H 6.047846 -0.651235 -1.865476
H 5.568387 1.572074 -0.760263
H 5.768971 1.721200 1.025451
H 7.189603 1.278043 -0.006002


%chk=000211965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211965

0 1
S -7.226745 1.463218 0.736872
O -0.261603 0.578273 2.363563
O 0.138392 -2.246278 -0.967494
O 4.342205 0.818925 2.169698
O 4.940440 -1.267658 -2.284980
O 6.013569 0.312500 -0.114488
N -1.992916 0.013238 0.913917
N -4.669394 0.565041 -0.029453
N -6.548145 -0.016672 -1.413894
C -2.625898 1.339082 1.120685
C -2.709894 -0.951814 0.030529
C -4.156142 1.220448 1.191340
C -3.713136 -0.202139 -0.861284
C -0.816770 -0.266768 1.589855
C -6.003544 0.573680 -0.351916
C -0.185418 -1.658746 1.366301
C 0.653146 -1.731348 0.074273
C 2.051484 -1.210092 0.071334
C -8.497550 0.926789 -0.439496
C -7.933746 0.183441 -1.457320
C 2.858003 -1.479862 -1.067857
C 2.591396 -0.478129 1.161619
C 3.914527 0.011862 1.103915
C 4.178351 -1.011271 -1.121249
C 4.712357 -0.224316 -0.054487
C 5.621766 0.463243 2.822768
C 6.138873 -2.112677 -2.069940
C 6.220313 1.315114 -1.193976
H -2.337632 2.026983 0.301673
H -2.225333 1.757813 2.058457
H -3.257540 -1.695428 0.645742
H -1.990074 -1.493146 -0.606737
H -4.587971 2.237555 1.279646
H -4.454949 0.651570 2.097035
H -3.177294 0.472927 -1.558023
H -4.292367 -0.915868 -1.469025
H -0.958334 -2.440931 1.294296
H 0.438344 -1.852776 2.252238
H -9.535812 1.205210 -0.278614
H -8.495329 -0.250520 -2.285944
H 2.448982 -2.057892 -1.901227
H 1.986894 -0.216971 2.036507
H 6.455426 0.494645 2.102527
H 5.547093 -0.542334 3.280097
H 5.756916 1.220622 3.609451
H 6.617825 -2.194413 -3.057273
H 5.836441 -3.115662 -1.714473
H 6.828208 -1.646376 -1.343042
H 5.990311 0.875097 -2.179773
H 5.581708 2.197373 -1.008259
H 7.282466 1.594833 -1.129218


