source: ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2o.xyz

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: 144 bytes
Line 
1#geometry units au noautosym;
2bohr
38 0.0 0.0 0.1239321808
41 0.0 1.43052 -0.9834468192
51 0.0 -1.43052 -0.9834468192
6
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