PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

silver(i) hydrogen sulfide   5314 Silver(I) hydrogen sulfide

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5304 (2,2'-Bipyridine-N,N')-(trifluoroacetato-O)-silver(i) (Geo)C12H8N2O2F3Ag
  5305 Ag(I)CN (DUJXEL) (Geo)C5H3NF7Ag
  5306 Silver aluminide (Geo)AlAg
  5307 (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY) (Geo)C8H10O2F6PAg
  5308 Ag(+).2(PH3) (Geo)H6P2Ag
  5309 Ag(i)P2(+) (MOPCAV) (Geo)C6H18P2Ag
  5310 Ag(i)O2 (AFIWUI) (Geo)C2H10N2O6P2Ag
  5311 (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver_(LEFWIC) (Geo)C11H19O2F6P2Ag
  5312 Silver S (Geo)SAg
  5313 Silver(I) hydrogen sulfide (Geo)HSAg
  5314 Silver(I) hydrogen sulfide HSAg
  5315 Ag(I)N2S2(+) (TCBZAG) (Geo)C2H12N8S2Ag
  5316 bis(1,4-oxathian)-silver(i) (CIJBIG) (+) (Geo)C8H16O2S2Ag
  5317 Ag(I)S3(+) (ZUVVIV) (Geo)C12H18N6S3Ag
  5318 Silver(I) chloride (Geo)ClAg
  5319 Silver chlorideClAg
  5320 Silver(I) chlorideClAg
  5321 Methyl silver(I) chloride (Geo)CH3ClAg
  5322 Aqua-(4-chlorobenzoato-O)-silver(i) (Geo)C7H6O3ClAg
  5323 Chloro-(1-thia-4,7-diazacyclononane-S,N,N')-silver(i) (Geo)C6H14N2SClAg
  5324 Ag(I)S2O (CIJBIG) (Geo)C8H16O6S2ClAg


ΔHf: 40.8 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 SHIFT=80 PM7
Silver(I) hydrogen sulfide
 H=40.8 HR=PW91D
 Ag     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.45959908 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.33474134 +1   99.6556318 +1    0.0000000 +0     2     1     0