Gruber killed people because it made his robbery more convenient. He shoots the corporate dipshit guy in the head just to emphasize that he is serious. How much more villainous can you get?
But if everyone has just given what Gruber wanted no one would have gotten hurt. They open the safe, move out with the money and everyone but Bruce Willis' career is happy.
The only really bad guy I can remember he was playing was the judge in Sweeny Todd.