Difference between revisions of "Wat.g09"
Jump to navigation
Jump to search
(Created page with "#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....") |
|||
| Line 1: | Line 1: | ||
| − | #hf/sto-3g opt=(MaxCycle=50) | + | #hf/sto-3g opt=(MaxCycle=50) <br> |
| − | + | <br> | |
| − | water dimer | + | water dimer<br> |
| − | + | <br> | |
| − | 0 1 | + | 0 1 <br> |
| − | o -1.239 1.280 -1.347 | + | o -1.239 1.280 -1.347 <br> |
| − | h -1.447 1.512 -0.417 | + | h -1.447 1.512 -0.417 <br> |
| − | h -0.355 1.683 -1.476 | + | h -0.355 1.683 -1.476 <br> |
| − | o -1.313 -1.454 -1.717 | + | o -1.313 -1.454 -1.717 <br> |
| − | h -0.571 -1.743 -1.147 | + | h -0.571 -1.743 -1.147 <br> |
| − | h -1.291 -0.479 -1.597 | + | h -1.291 -0.479 -1.597 <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
