We cannot see what you entered into the taxcaster tool. That tool gives you an estimate but it will not be nearly as precise as entering the data into the tax software. And....the tax software is also using the stimulus money and the recovery rebate credit, which is not part of the taxcaster calculation.
Double check all of your entries for your actual tax return---that is the amount to trust. (if you entered everything correctly and completely).
I paid New Mexico self employment tax on business earning in the amount of $1716, however, on Schedule Schedule SE, and Business Expenses - self employment taxes it shows less - only $1215