From owner-chemistry@ccl.net Fri Sep 14 17:00:01 2007 From: "pragya chohan pragyachohan/a\hotmail.com" To: CCL Subject: CCL:G: help:gussian 03:Error termination via Lnk1e in /nepdisk11/g03/l301.exe Message-Id: <-35158-070914153643-12141-jez0rMeBnwyGQYpA8sfQhA{=}server.ccl.net> X-Original-From: "pragya chohan" Date: Fri, 14 Sep 2007 15:36:39 -0400 Sent to CCL by: "pragya chohan" [pragyachohan---hotmail.com] hi i m new to computational biology.i m doing a simulation in gaussian 03 of popc. i m getting this error: Standard basis: 6-31G(d) (6D, 7F) The combination of multiplicity 1 and 419 electrons is impossible. Error termination via Lnk1e in /nepdisk11/g03/l301.exe pls help asap. my .com file is: %chk=Gaussian B3LYP/6-31G* fopt POPC 1 1 C -0.2510 3.2520 3.3350 O 0.3620 3.9930 2.5940 C -0.1840 1.7630 3.2650 C 1.2750 1.3160 3.6060 C 1.4260 -0.2330 3.8530 C 1.1380 -1.0510 2.6150 C 1.4880 -2.5000 2.8060 C 0.8760 -3.4140 1.7060 C 0.8990 -4.8580 2.0770 C 0.1320 -5.6290 0.9810 C -0.1290 -7.1000 1.5280 C 1.1270 -7.8660 1.9340 C 0.7830 -9.3600 2.1530 : H -5.2550 -14.8970 5.3250 <2 lines blank>