Difference between revisions of "Wat.g09"
Jump to navigation
Jump to search
| Line 1: | Line 1: | ||
| − | + | <nowiki>#</nowiki>hf/sto-3g opt=(MaxCycle=50) <br> | |
<br> | <br> | ||
water dimer<br> | water dimer<br> | ||
Latest revision as of 17:43, 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
