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

(ch3)2srr   4488 Dimethyl strontium (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  4478 Rubidium fluoride, dimer (Geo)F2Rb2
  4479 Rubidium fluoride, dimerF2Rb2
  4480 Rubidium chloride, dimer (Geo)Cl2Rb2
  4481 Rubidium chloride, dimerCl2Rb2
  4482 Rubidium bromide, dimer (Geo)Br2Rb2
  4483 Rubidium bromide, dimerBr2Rb2
  4484 Rb(I)O3 (SOGKUU) (Geo)C16H36O4Rb4
  4485 Strontium, dicationSr
  4486 Strontium, cationSr
  4487 Strontium, atomSr
  4488 Dimethyl strontium (Geo) C2H6Sr
  4489 Dimethyl strontiumC2H6Sr
  4490 Sr(II)(Cp)2N2 (TEYYEB) (Geo)C28H32N2Sr
  4491 Sr(II)(Cp)2N2 (TEYYEB)C28H32N2Sr
  4492 Sr(II)N4 (WAGCIR) (Geo)C22H42N4Sr
  4493 Sr(II)N4 (WAGCIR)C22H42N4Sr
  4494 Sr(II)N8(2+) (TAQNAA) (Geo)C8H32N8Sr
  4495 Sr(II)N8(2+) (TAQNAA)C8H32N8Sr
  4496 Sr(II)N9(2+) (TAPMOM) (Geo)C12H39N9Sr
  4497 Strontium oxide (Geo)OSr
  4498 Strontium oxideOSr


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.
  
 PM7
Dimethyl strontium
 <Sr-C> <><C-Sr-C> GR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.52132100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.38628118 +1  113.2729020 +1    0.0000000 +0     1     2     0
  H     1.05069877 +1  105.6592175 +1 -148.3391870 +1     2     1     3
  H     1.05251039 +1  100.7913783 +1  119.9949287 +1     2     1     4
  H     1.05171111 +1  103.4276985 +1  118.6485347 +1     2     1     5
  H     1.05709674 +1  103.5690931 +1  -58.2543746 +1     3     1     2
  H     1.05651315 +1  103.6354840 +1  118.1992649 +1     3     1     7
  H     1.05464398 +1  107.6866372 +1  120.9544094 +1     3     1     8