and the output file,
...
Multipole analysis of the density wrt the origin
------------------------------------------------
L x y z total alpha beta nuclear
- - - - ----- ----- ---- -------
0 0 0 0 0.000000 -42.000000 -41.000000 83.000000
1 1 0 0 -1.386235 -6.073466 0.432499 4.254732
1 0 1 0 0.173579 -50.839430 -51.392912 102.405921
1 0 0 1 0.000000 0.000000 0.000000 0.000000
2 2 0 0 -66.302654 -211.352985 -207.111659 352.161990
2 1 1 0 4.101123 114.956374 120.543735 -231.398986
2 1 0 1 0.000000 0.000000 0.000000 0.000000
2 0 2 0 -59.579910 -635.685635 -617.288743 1193.394467
2 0 1 1 0.000000 0.000000 0.000000 0.000000
2 0 0 2 -64.146002 -34.148123 -29.997879 0.000000
Parallel integral file used 3575 records with 0 large values
------------------------------------------------------------------------
ccsd: nopen is not zero 1
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
ccsd: nopen is not zero 1
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
1:1:ccsd: nopen is not zero:: 1
ccsd: nopen is not zero 1
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
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