%chk=000218546.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218546

0 1
I -8.676996 0.742114 0.145519
S 7.440203 0.617586 -1.523811
O -2.741951 -0.884933 -0.309610
N 5.793251 0.261957 0.567834
N -4.345833 0.729599 0.292768
C 4.633651 -0.561326 0.089482
C 3.332236 0.214614 0.354756
C 2.106834 -0.622365 -0.030845
C 7.011256 -0.564200 0.837573
C 6.169988 1.329346 -0.371829
C 0.804946 0.145671 0.234501
C 7.820883 -0.800760 -0.443317
C -0.419387 -0.692482 -0.149416
C -1.705771 0.079328 0.119870
C -4.037349 -0.507454 -0.201287
C -5.001861 -1.457754 -0.623156
C -6.338364 -1.096815 -0.522907
C -5.664640 1.054268 0.378843
C -6.672435 0.169195 -0.017851
H 4.712621 -0.835601 -0.984866
H 4.617680 -1.515967 0.659031
H 3.285143 0.500775 1.425147
H 3.334264 1.169244 -0.205741
H 2.103927 -1.573515 0.536733
H 2.164232 -0.908132 -1.099547
H 7.621130 -0.003596 1.584125
H 6.728680 -1.520464 1.323072
H 6.633797 2.167462 0.188536
H 5.320633 1.723054 -0.959472
H 0.749231 0.431587 1.303718
H 0.807003 1.096731 -0.334008
H 8.906230 -0.839888 -0.251791
H 7.538267 -1.735712 -0.955725
H -0.374653 -0.984766 -1.218588
H -0.431653 -1.648732 0.412611
H -1.873023 0.309946 1.185006
H -1.814147 0.992154 -0.488946
H -4.682983 -2.423199 -1.006158
H -7.120097 -1.794635 -0.835351
H -5.884845 2.054462 0.779297


%chk=000218546-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218546

0 1
I -8.741999 1.021177 0.195895
S 7.393045 0.677541 -1.663934
O -2.820223 -1.026604 -0.362554
N 5.867974 0.308869 0.629117
N -4.351199 0.679701 0.236418
C 4.705395 -0.504851 0.166052
C 3.359330 0.209164 0.400292
C 2.152252 -0.663859 -0.010507
C 7.111042 -0.468250 0.851209
C 6.217012 1.415736 -0.225844
C 0.799405 0.051257 0.204259
C 7.771249 -0.798357 -0.533065
C -0.412285 -0.827164 -0.185126
C -1.732627 -0.089536 0.037910
C -4.120944 -0.571982 -0.237625
C -5.158381 -1.465057 -0.622427
C -6.487290 -1.023004 -0.504513
C -5.644222 1.102389 0.349208
C -6.733880 0.284013 -0.009837
H 4.808380 -0.771891 -0.912168
H 4.714735 -1.447739 0.744733
H 3.286825 0.481826 1.471016
H 3.329625 1.158732 -0.171207
H 2.162855 -1.607870 0.573175
H 2.248076 -0.954609 -1.077225
H 7.809170 0.153296 1.441633
H 6.890018 -1.384211 1.425299
H 6.836289 2.158053 0.298043
H 5.348635 1.882875 -0.708522
H 0.712551 0.354210 1.268298
H 0.785019 0.988928 -0.389295
H 8.863066 -0.911317 -0.441626
H 7.339379 -1.706083 -0.985580
H -0.337012 -1.125875 -1.248467
H -0.411402 -1.759053 0.412652
H -1.880353 0.195269 1.096336
H -1.809596 0.827428 -0.575718
H -4.912609 -2.461643 -0.996858
H -7.313275 -1.680024 -0.790745
H -5.793933 2.115309 0.735498


