source:
ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfsto3g.results
| Last change on this file was 860145, checked in by , 9 years ago | |
|---|---|
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| File size: 236 bytes | |
| Rev | Line | |
|---|---|---|
| [0b990d] | 1 | FINAL GEOMETRY: |
| 2 | 0.000000000 0.000000000 0.123932181 | |
| 3 | 0.000000000 1.430520000 -0.983446819 | |
| 4 | 0.000000000 -1.430520000 -0.983446819 | |
| 5 | ||
| 6 | FINAL ENERGY: | |
| 7 | -74.962946496 | |
| 8 |
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