Subject: Error in G98

From: Sergio Augusto Jardino Filho <[email-masked]>
Date: Mon, 12 Jun 2000 08:33:34 -0300 (EST)

Hello,

Does anyone know what is the problem that
cause the followig message of error in Gaussian98?

thanks in advance

Sergio A. Jardino Filho
Universidade de Sao Paulo
Brazil

 ***************************************************
 Gaussian 98:  Cray-J90-Unicos-G98RevA.7 11-Apr-1999
                     11-Jun-2000
 ***************************************************
 %Chk=s11b.chk
 ----------------------
 #N RHF 6-31G** SP FREQ
 ----------------------
 Illegal IType generated by parse.
 Error termination via Lnk1e in /usr/local/g98/l1.exe.

 Beginning of Traceback:
  Called from line 42 (address 755513a) in routine 'TRBK'.
  Called from line 11 (address 360570d) in routine 'TBACK'.
  Called from line 29 (address 325764c) in routine 'LNK1E'.
  Called from line 12 (address 316724c) in routine 'GAUERR'.
  Called from line 851 (address 5561b) in routine 'DECOTP'.
  Called from line 1142 (address 41352d) in routine 'GPARSE'.
  Called from line 1002 (address 22655a) in routine 'EROUTE'.
  Called from line 5275 (address 63050c) in routine 'LINK1'.
  Called from line 12 (address 427a) in routine 'ML1'.
  Called from line 334 (address 413617c) in routine '$START$'.
 End of Traceback.
 Job cpu time:  0 days  0 hours  0 minutes  2.9 seconds.
 File lengths (MBytes):  RWF=    6 Int=    0 D2E=    0 Chk=    1 Scr=    1
Received signal:11
 Error termination via Lnk1e.
Received signal:6
 Error termination via Lnk1e.
logout

---

From: "Stefan Fau" <[email-masked]>
Date: Mon, 12 Jun 2000 10:34:51 -0400

Hi Sergio,

although an analytical frequency calc. is a single point calc. in
the sense that the geometry is not altered, you can not combine
the SP and FREQ keywords in a Gaussian input. In Gaussian,
SP means a single energy calculation without any derivative
calculations.

Stefan
______________________________________________________________________
Dr. Stefan Fau                    |      [email-masked]
Quantum Theory Project     |     (352) 392-6714
University of Florida
Gainesville, FL 32611-8435