%chk=000244932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244932

0 1
S -1.053661 1.801179 0.046238
O -3.297881 -0.342523 0.549966
O -4.224284 0.856202 -1.133429
N 4.763029 -0.618289 -0.972509
C 0.912759 0.151846 0.579951
C -0.448499 0.445218 1.107639
C 2.042989 0.767817 1.143814
C 1.081249 -0.738529 -0.494906
C 3.480560 -0.404017 -0.416567
C 3.319807 0.493549 0.661653
C 2.349480 -1.024921 -0.991165
C -2.791447 1.938314 0.527468
C -3.524775 0.829777 -0.152376
C -3.899993 -1.549600 0.012574
H -1.134363 -0.427583 1.040399
H -0.439667 0.756887 2.167908
H 1.922568 1.470899 1.968692
H 0.208422 -1.209383 -0.949291
H 4.183665 0.983390 1.101905
H 2.463976 -1.707208 -1.828771
H -2.922346 1.915428 1.627091
H -3.165036 2.926976 0.178049
H 4.887440 -1.461589 -1.512209
H 5.553345 -0.422356 -0.376811
H -4.957626 -1.375956 -0.214085
H -3.769003 -2.270335 0.825636
H -3.356007 -1.843594 -0.890265


%chk=000244932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244932

0 1
S -1.118085 1.845882 -0.133784
O -3.530913 -0.411983 0.565680
O -4.580387 1.000154 -0.967024
N 5.005641 -0.720959 -0.775857
C 1.033532 0.145052 0.518990
C -0.367802 0.451247 0.971920
C 2.151121 0.821103 1.075872
C 1.282740 -0.821755 -0.491106
C 3.706184 -0.433934 -0.355130
C 3.464726 0.542081 0.655759
C 2.588724 -1.113788 -0.923733
C -2.879637 1.897346 0.585174
C -3.760865 0.837182 -0.035832
C -4.304239 -1.541645 -0.005849
H -1.047844 -0.409461 0.873788
H -0.396307 0.830159 2.007605
H 1.986883 1.579528 1.851372
H 0.436058 -1.349993 -0.946331
H 4.310037 1.076420 1.106829
H 2.752994 -1.868242 -1.703111
H -2.806997 1.768980 1.676846
H -3.276989 2.892714 0.339689
H 5.177272 -1.404767 -1.506829
H 5.801634 -0.228740 -0.381565
H -5.385966 -1.343143 0.076179
H -4.013622 -2.414645 0.595270
H -4.043191 -1.683192 -1.068222


