Victor Hugo's Notre Dame de Paris.
The main male character, Claude, is patently Aspie.
He's studied in every faculty of the university by 20, is academically obsessive and brilliant (into philosophy, hermetic mysticism, alchemy), kind to orphans, but has minimal social skills, and his emotional/sexual crisis is fuelled even further by being a 15C priest under vows of celibacy. He implodes completely at 35: a magnificent, passionate, tragic mess, who destroys himself and everything around him. And even though he was written in 1831, he's quite clearly one of us. I first read about him as a teenager, some 35 years before my own diagnosis, and I've loved him ever since. He has lots of rare books and his own laboratory... What more could a girl want?!