source: src/bin/mpqc/validate/input/mp2r12aph2o.in@ 7ed4e8

Last change on this file since 7ed4e8 was 5d30c1, checked in by Frederik Heber <heber@…>, 13 years ago

Initial commit based on 3.0.0alpha (here claimed as 2.4).

  • simply added all files.
  • Property mode set to 100644
File size: 191 bytes
Line 
1
2molecule:
3 O 0.172 0.000 0.000
4 H 0.745 0.000 0.754
5 H 0.745 0.000 -0.754
6
7optimize: no
8checkpoint: no
9
10method: MP2-R12/A'
11
12basis: cc-pVDZ
13auxbasis: aug-cc-pVTZ
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