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You're on the right track using the ZoneHVAC:IdealLoadsAirSystem in EnergyPlus; it is one of the great ways to make an estimation of heating and cooling loads without designing a full HVAC system. Focus on output variables you mentioned, especially the total heating and cooling rates, to get accurate baseline data. The use of HVAC estimating services allows checking your model's assumptions against real-world applications and enables better comparisons for your advanced model.