%chk=000207096.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207096

0 1
S 3.468004 -1.428901 -0.858499
S 3.656613 1.466271 -0.253515
O -4.866362 -0.443152 -0.468632
N -1.262836 0.109891 0.247392
N 1.608611 -0.069470 0.481393
C -0.515285 -1.050584 -0.340994
C -0.414050 1.346794 0.207009
C 0.762180 -1.296701 0.488175
C 0.870587 1.110597 1.025256
C -2.565395 0.322968 -0.456968
C -3.609578 -0.599147 0.201177
C 2.788175 0.056757 -0.148314
H -0.254139 -0.907379 -1.412765
H -1.165776 -1.951277 -0.284209
H -0.987548 2.178621 0.672990
H -0.152790 1.667576 -0.825564
H 0.492041 -1.518712 1.549987
H 1.297477 -2.193103 0.110085
H 1.505169 2.029114 1.016469
H 0.623286 0.898356 2.091638
H -2.527600 0.127666 -1.550665
H -2.889713 1.380195 -0.350698
H -3.722542 -0.393342 1.279393
H -3.381548 -1.670831 0.052184
H -5.258035 0.430054 -0.273583
H 4.649253 -0.908861 -1.284843


%chk=000207096-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207096

0 1
S 3.574638 -1.568911 -0.699842
S 3.852897 1.460247 -0.094069
O -4.979391 -0.489617 -0.420517
N -1.279508 0.143543 0.208285
N 1.600695 -0.038496 0.382694
C -0.553914 -1.013284 -0.371129
C -0.433105 1.362279 0.151707
C 0.760468 -1.261748 0.396285
C 0.880477 1.142905 0.924194
C -2.629214 0.337296 -0.375491
C -3.660564 -0.652390 0.208666
C 2.889574 0.048834 -0.070775
H -0.318464 -0.853333 -1.453552
H -1.180778 -1.919075 -0.293250
H -0.980505 2.199574 0.621679
H -0.189058 1.656257 -0.899401
H 0.527868 -1.514184 1.448966
H 1.301745 -2.107295 -0.054832
H 1.544528 2.017748 0.839876
H 0.656733 0.952940 1.991917
H -2.633958 0.246232 -1.488674
H -2.956584 1.368851 -0.135746
H -3.707862 -0.530548 1.310091
H -3.385288 -1.696122 -0.014843
H -5.344572 0.400310 -0.184403
H 4.791342 -0.998613 -1.013938


