model	|	Avogadro	|	NWChem 		|
1	|	63.8144		| -303.97762411		|
2	|	63.1564		| -303.97762411		|
3	| 	63.1556		| -303.97762411		|
4	|	37.3503		| -303.97762411		|
5	|	37.3503		| -304.29673379		|
6	|	37.3503		| -303.96830969		|
7	|	40.7024		| -303.96830969		|
8	| 	41.6239		| -303.96830969		|