Re: G92 and G92 bugs!!!!

From: Peking <xiaopeng { *at * } astro.ocis.temple.edu>
Subject: Re: G92 and G92 bugs!!!!
Date: Thu, 18 Jan 1996 21:17:43 -0500 (EST)
 Hello, Dear nettlers,
 	I posted a question about G94 IRC calculation and got several
 suggestion. However, the problem still can not be solved. Here is my
 further calculation and the result I got
 	I rerun the calculation in G92 and still got problem. I attached
 the original of my input file and the error message here.  Please help me
 to overcome this difficulty :)---
 	Thanks in advance!!!!
 %chk=ts5_am_sto_3-21g_gau_92_631
 # rhf/6-31g(d) fopt(calcfc, ts,) Test
  SPARTAN EXPORTED SUN JAN 14 09:55:20 1996 spartan 3-21g* result
    0   1
  C
  C,1,R2
  H,1,R3,2,A3
  H,1,R4,2,A4,3,D4,0
  H,1,R5,2,A5,3,D5,0
  C,2,R6,1,A6,3,D6,0
  H,2,R7,1,A7,6,D7,0
  C,6,R8,2,A8,1,D8,0
  Cl,7,R9,2,A9,1,D9,0
  H,8,R10,6,A10,2,D10,0
  H,8,R11,6,A11,10,D11,0
  H,8,R12,6,A12,10,D12,0
       Variables:
  R2=1.51554149
  R3=1.0795374
  R4=1.08218159
  R5=1.08204159
  R6=1.27737387
  R7=1.08395249
  R8=1.43892112
  R9=2.50452271
  R10=1.07578948
  R11=1.09586997
  R12=1.09208333
  A3=112.17404914
  A4=109.72969028
  A5=105.02337186
  A6=127.6229393
  A7=118.44653687
  A8=149.19812154
  A9=92.67676259
  A10=115.40813857
  A11=104.82973432
  A12=107.43881695
  D4=-122.44010989
  D5=119.53093031
  D6=-0.18895215
  D7=-179.25987117
  D8=-100.48074453
  D9=93.00730498
  D10=-165.75256864
  D11=125.71477728
  D12=-124.57001812
 --link1--
 %chk=ts5_am_sto_3-21g_gau_92_631
 %chk=ts5_am_sto_3-21g_gau92_631
 # rhf/6-31g(d) freq guess=read geom=checkpoint
 verify the stationary point
  0 1
 --link1--
 # rhf/6-31g(d) IRC=(rcfc, stepsize=10, maxpoint=20) guess=read
 geom=checkpoint test
 ran IRC to see if  the TS gotten from LST and TS optimized saddle point
 connects the starting material to the product.
 0 1
 the error message this time is
  OPERATION ON FILE OUT OF  RANGE
  FILEIO: IOPER =2 IFILNO(1)= 575 LEN= 679948 IPOS=  0  Q=806230296
 xiaopeng
 =======================================================
 			Chemistry Graduate student
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 			215-5357188(home)
 			xiaopeng { *at * } astro.ocis.temple.edu
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