%chk=000211711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211711

0 1
S -5.110830 1.077273 -0.645962
S -2.671722 2.781179 -0.425818
O -3.210252 -2.110492 0.427262
O 3.899192 1.745720 -0.160745
O 4.941579 -0.894841 0.581552
N -2.810966 0.138382 0.083087
C -1.359592 0.015765 0.413164
C -0.522719 -0.195293 -0.858788
C -5.087118 -0.711726 -0.269984
C -3.653770 -1.034102 0.118726
C 0.926419 -0.359282 -0.491748
C -3.385095 1.339123 -0.299189
C -6.052802 -1.019627 0.851097
C 1.765161 0.762982 -0.444003
C 1.433908 -1.630622 -0.179723
C 3.112921 0.603983 -0.103277
C 2.781080 -1.795981 0.147584
C 3.627076 -0.681660 0.178651
C 4.584068 2.068775 1.081314
C 5.918889 -0.626956 -0.462630
H -1.025611 0.930954 0.956333
H -1.235068 -0.850019 1.107774
H -0.655419 0.662028 -1.553896
H -0.886554 -1.082575 -1.417584
H -5.354848 -1.281934 -1.196550
H -5.996875 -2.081988 1.141843
H -5.855198 -0.429346 1.758500
H -7.094040 -0.820133 0.559364
H 1.389223 1.761361 -0.668352
H 0.776038 -2.498841 -0.199076
H 3.188352 -2.779334 0.380851
H 5.244585 2.886563 0.774562
H 5.150413 1.207295 1.453989
H 3.846670 2.406051 1.814848
H 6.867374 -0.755542 0.069025
H 5.803485 0.393285 -0.845455
H 5.806746 -1.365528 -1.260745


%chk=000211711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211711

0 1
S -5.148054 1.259345 -0.588954
S -2.531771 2.875647 -0.310296
O -3.286405 -2.129043 0.363565
O 3.949973 1.721773 -0.200483
O 5.027825 -0.895083 0.562159
N -2.822303 0.162700 0.095742
C -1.382012 -0.013664 0.405876
C -0.545708 -0.297783 -0.871649
C -5.127262 -0.616931 -0.257399
C -3.676539 -0.965687 0.092456
C 0.927061 -0.448094 -0.521596
C -3.363003 1.413389 -0.236928
C -6.104302 -1.036485 0.856674
C 1.786126 0.678460 -0.524062
C 1.454181 -1.704368 -0.125690
C 3.142649 0.560052 -0.156556
C 2.815779 -1.836325 0.221718
C 3.673278 -0.715774 0.193214
C 4.511245 2.132859 1.108094
C 6.004933 -0.596659 -0.512020
H -1.029878 0.910713 0.893239
H -1.304143 -0.861067 1.108075
H -0.692598 0.537521 -1.579797
H -0.927346 -1.221502 -1.343929
H -5.383313 -1.116054 -1.208046
H -5.998231 -2.120666 1.039815
H -5.892522 -0.497226 1.795261
H -7.146495 -0.829043 0.561376
H 1.414455 1.670363 -0.805461
H 0.801563 -2.585359 -0.108954
H 3.241898 -2.803907 0.505860
H 5.134811 3.014286 0.894630
H 5.119432 1.323667 1.551076
H 3.693660 2.409243 1.800678
H 6.995373 -0.745207 -0.055517
H 5.893827 0.442013 -0.871882
H 5.868516 -1.301205 -1.354286


