3 O | 2 H | 1.83455 | 0.97080
4 Cl | 3 O | 3.20503 | 1.69603
5 H | 1 O | 1.84364 | 0.97561
------------------------------------------------------------------------------
number of included internuclear distances: 3
==============================================================================
==============================================================================
internuclear angles
------------------------------------------------------------------------------
center 1 | center 2 | center 3 | degrees
------------------------------------------------------------------------------
2 H | 3 O | 4 Cl | 102.39
------------------------------------------------------------------------------
number of included internuclear angles: 1
==============================================================================
------------------------------------------------------------------------
dft optimize failed 0
------------------------------------------------------------------------
This type of error is most commonly associated with calculations not reaching convergence criteria
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
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