CCL:G: termination failure when calculating the single point energy

 Sent to CCL by: "Ol  Ga" [eurisco1 : pochta.ru]
 Dear Dong  Fang!
 I have achieved the convergence (please see below the right answer)   in SCF 1
 very fast.
 The correct route seection is
 #p rob3lyp/6-311++g(2df,2p) sp scf=(vshift=100,tight,maxcycle=512)
 the archive section is
  1|1|UNPC-UNK|SP|ROB3LYP|6-311++G(2df,2p)|C2H2N4S1(1+,2)|PCUSER|31-Jul-
  2008|0||#P ROB3LYP/6-311++G(2DF,2P) SP SCF=(VSHIFT=100,TIGHT)||GN||1,2
  |N,0,0.242495,-1.154337,-0.000279|C,0,-0.493856,-0.003331,-0.000307|C,
  0,2.199339,0.005971,0.000418|N,0,1.489904,-1.139241,0.000147|H,0,3.281
  157,0.007813,-0.000673|N,0,1.484761,1.144348,0.000236|N,0,0.232496,1.1
  55344,-0.000536|S,0,-2.206353,-0.082985,0.000115|H,0,-2.360017,1.26131
  ,0.00119||Version=IA32W-G03RevC.01|State=2-A|HF=-694.2412278|RMSD=4.49
  8e-010|Dipole=0.3717363,0.2861733,0.0000715|PG=C01 [X(C2H2N4S1)]||+*+
 Sincerely,
 Ol Ga
 > Sent to CCL by: "Dong  Fang" [fangzhengjuzhe]![gmail.com]
 > After 129cycles , the job stopped with showing the following
 line:Convergence failure -- run terminated.
 > Fllowing are the coordiatesobtained from the b3lyp/6-31+g* optimization
 without imaginary frequency) and methods used in caculating the single point
 energy
 > No.1
 > N         0.242495   -1.154337   -0.000279
 > C        -0.493856   -0.003331   -0.000307
 > C         2.199339    0.005971    0.000418
 > N         1.489904   -1.139241    0.000147
 > H         3.281157    0.007813   -0.000673
 > N         1.484761    1.144348    0.000236
 > N         0.232496    1.155344   -0.000536
 > S        -2.206353   -0.082985    0.000115
 > H        -2.360017    1.261310    0.001190
 > No.2
 > N        -0.212199   -1.149311   -0.000403
 > C         0.504977    0.024785    0.000075
 > C        -1.525031    1.124235    0.000009
 > C        -2.235284   -0.110641    0.000081
 > N        -1.443543   -1.173021    0.000164
 > H        -2.065966    2.070024   -0.000931
 > H        -3.312531   -0.223283    0.000801
 > N        -0.212775    1.154543   -0.000050
 > S         2.225101   -0.073180    0.000041
 > H         2.388520    1.268380    0.000502
 > No3
 > N        -1.432871   -1.116161   -0.000078
 > C         0.478066    0.025252   -0.000618
 > C        -1.556660    1.082156   -0.000115
 > N        -2.217085   -0.136704    0.001503
 > H        -2.177607    1.973435    0.000119
 > N        -0.194935   -1.201448   -0.001039
 > N        -0.253537    1.144458   -0.001079
 > S         2.187213   -0.046630    0.000488
 > H         2.342768    1.297178    0.001312
 >
 > The charge and multiply of them is 1,2 respectively.
 >
 > #p rob3lyp/6-311++g(2df,2p) sp scf=tight
 >
 > I have tried to increase the maxcycle,(because the DFT are RO, Icannot use
 QC),and change the initial  guess but they all doesnot work. what should I do?
 >