CCL:G: problem in NBO calculation
- From: "Anindita De" <anindita*_*iitk.ac.in>
- Subject: CCL:G: problem in NBO calculation
- Date: Sun, 15 Mar 2009 01:06:35 -0400
Sent to CCL by: "Anindita De" [anindita-#-iitk.ac.in]
Hi all,
I was doing NBO calculation of copper complex using Gaussian 03 programme. I am
always getting following error message
Sorting of NBOs: 288 207 198 242 256 209 278 199 266
284
Sorting of NBOs: 287 243 254 260 264 241 271 238 240
214
Sorting of NBOs: 204 289 205 197 201 196 267 235 249
233
NBStor is confused about NOcc.
Error termination via Lnk1e in C:\G03W\l607.exe at Sat Mar 07 15:46:25 2009.
Job cpu time: 0 days 2 hours 26 minutes 38.0 seconds.
File lengths (MBytes): RWF= 91 Int= 0 D2E= 0 Chk= 3 Scr=
1
Can anyone tell me how to solve this problem??
regards,
Anindita