On 17 Mar 1995 westerm at aclcb.purdue.edu wrote:
>> While I've just started
>exploring this program and thus am not an authority on it, it does seem
>to me that it is calculating your simple structure correctly and that,
>somewhere, you are mistaken in your hand calculations. Note, however,
>that the program seems to be reporting KJ instead of KCal; e.g., when it
>says '-3.6 KJ' it really should be '-3.6 KCal'.
Thank you. I have been made aware that some of the numbers I have been
using are old, some having been revised. The "kJ" label was particularly
confusing to me initially - a minor programming error.