source: ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfch2opt.in@ 1ca493a

Candidate_v1.7.0 stable
Last change on this file since 1ca493a was 398fcd, checked in by Frederik Heber <heber@…>, 9 years ago

Converted validate subfolder into autotest suite.

  • so long only for target check0.
  • Property mode set to 100644
File size: 168 bytes
Line 
1
2multiplicity: 3
3molecule:
4 C 0.000 0.000 -0.100
5 H 0.000 0.857 0.596
6 H 0.000 -0.857 0.596
7
8optimize: yes
9checkpoint: no
10
11method: HF
12
13basis: 6-31G*
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