%chk=000211977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211977

0 1
S -2.902261 0.597511 -0.488362
O 2.699211 -1.357340 -0.824064
O -0.559297 -2.915111 0.650656
O -2.948566 2.013017 -0.040274
N 1.293869 1.827399 0.384559
C -0.411728 0.083131 0.392558
C 0.512790 -0.852203 -0.103504
C -1.815914 -0.271425 0.712278
C 1.829813 -0.408298 -0.337239
C 0.159972 -2.281702 -0.419812
C 2.205745 0.934837 -0.080822
C 0.028081 1.413819 0.608098
C 3.597476 1.423019 -0.310971
C -4.467914 -0.170615 0.010645
H -1.997726 -1.367660 0.665379
H -2.067251 0.018824 1.751073
H -0.548849 -2.347406 -1.269599
H 1.060465 -2.889779 -0.646360
H -0.680418 2.186760 0.955196
H 3.892808 1.334772 -1.365010
H 3.685195 2.495593 -0.053799
H 4.326586 0.894184 0.316831
H -4.464211 -1.241209 -0.204100
H -5.292813 0.285696 -0.549082
H -4.702074 -0.032562 1.070226
H 3.607863 -0.985916 -0.959415
H -0.023853 -2.897837 1.471818


%chk=000211977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211977

0 1
S -2.941181 0.301940 -0.760575
O 2.693002 -1.326222 -0.932589
O -0.502265 -2.957474 0.673214
O -3.100543 1.962723 -0.654102
N 1.424710 1.828776 0.573178
C -0.374848 0.162209 0.523699
C 0.495373 -0.791439 -0.087115
C -1.799675 -0.155899 0.819892
C 1.828324 -0.387042 -0.337321
C 0.022816 -2.182277 -0.477917
C 2.272171 0.925838 0.002239
C 0.139830 1.450180 0.822589
C 3.697318 1.365159 -0.265550
C -4.569327 -0.369540 0.019552
H -1.977784 -1.224802 1.008547
H -2.237076 0.493550 1.594517
H -0.839179 -2.121852 -1.164233
H 0.835288 -2.733287 -0.981673
H -0.509611 2.209821 1.269213
H 3.953072 1.329891 -1.344144
H 3.806474 2.407464 0.069831
H 4.438649 0.751962 0.286024
H -4.500734 -1.463200 0.125625
H -5.373482 -0.079692 -0.671886
H -4.690716 0.134404 0.989936
H 3.588533 -0.931618 -1.077379
H 0.237860 -3.110075 1.313333


