Difference between revisions of "Wat.g09"
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| − | #hf/sto-3g opt=(MaxCycle=50) <br> | + | \#hf/sto-3g opt=(MaxCycle=50) <br> |
<br> | <br> | ||
water dimer<br> | water dimer<br> | ||
Revision as of 17:40, 27 February 2018
\#hf/sto-3g opt=(MaxCycle=50)
water dimer
0 1
o -1.239 1.280 -1.347
h -1.447 1.512 -0.417
h -0.355 1.683 -1.476
o -1.313 -1.454 -1.717
h -0.571 -1.743 -1.147
h -1.291 -0.479 -1.597
