Gaussian: Error on Z-matrix card number
- From: "William Wei"
- Subject: Gaussian: Error on Z-matrix card number
- Date: Mon, 24 Nov 2003 15:15:57 -0500
If I run relaxed Potential Energy Surface (PES) scan under Gaussian 98, the
Z-Matrix card error always comes to me.
Error on Z-matrix card number 11
angle Alpha is outside the valid range of 0 to 180.
Conversion from Z-matrix to cartesian coordinates failed:
I explored on this issue. There are two possible situations related to this.
One is the Z-Matrix definition on ring system. The other is the torsional
angle reaching 0 degree. (Please let me know if I am wrong.)
Did anyone meet these problem before? Could you please give me a suggestion?
I will summary the result.
Thank you and have a good day,
Molecular Design and Information Technology (MDIT) center
Faculty of Pharmacy, University of Toronto
19 Russell Street, Toronto, ON. M5S 2S2