source: ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfgradccpvtz.results

Candidate_v1.7.1 stable v1.7.1
Last change on this file was 860145, checked in by Frederik Heber <heber@…>, 9 years ago

Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'
  • Property mode set to 100644
File size: 436 bytes
Line 
1FINAL GEOMETRY:
2 0.000000000 0.000000000 0.123932181
3 0.000000000 1.430520000 -0.983446819
4 0.000000000 -1.430520000 -0.983446819
5
6FINAL ENERGY:
7 -76.057160763
8
9FINAL GRADIENT:
10 0.000000000 -0.000000000 0.024185229
11 -0.000000000 0.013199442 -0.012092614
12 -0.000000000 -0.013199442 -0.012092614
13
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