From owner-chemistry@ccl.net Mon Aug 3 15:54:00 2020 From: "Nikhil Maroli scinikhil{=}gmail.com" To: CCL Subject: CCL:G: Error: the ESP fitting centers exist, but the fitting values are missi Message-Id: <-54154-200803155216-21969-bjC6uj7NpIFy8q5EzADyIw!=!server.ccl.net> X-Original-From: "Nikhil Maroli" Date: Mon, 3 Aug 2020 15:52:15 -0400 Sent to CCL by: "Nikhil Maroli" [scinikhil(0)gmail.com] Error: the ESP fitting centers exist, but the fitting values are missing It is recommened to generate esp file for resp fitting from the gesp file generated by adding keyword 'iop(6/50=1) in G09 input' I have iop(6/50=1) keyword in the gaussian. I used Ambertool 20 and gaussian 09. This is problem with gaussian or Antechamber, is there any change i need to make in gaussian input?