[molpro-user] BASIS LINEARLY DEPENDENT OR WRONG

[Nash, Mikaela C]

I am experiencing problems when carrying out a single point calculation on an MP2 neutral system, at the anionic configuration. The co-ordinates I am using are  
 C       6.00   -3.546106990   -1.104737676   -0.000018897
 N       7.00   -2.172442389    1.330958681    0.000086927
 H       1.00   -2.625787688    2.383709991   -1.551457595
 H       1.00   -2.628539129    2.385063035    1.549879674
 H       1.00   -2.969664931   -2.180762853   -1.678381051
 H       1.00   -2.972112127   -2.179530751    1.679977869
 H       1.00   -5.613920912   -0.879714757   -0.001619495
 H       1.00    0.572243088    0.693417996    0.001046908
 CL     17.00    3.101265459   -0.171203518    0.000003779

and the geometry specification is inexplicably changing and converting to this...

 1  C       6.00   11.338356789   -6.701171044   -2.087651655
   2  N       7.00   13.228082920   -4.105321152    2.515147399
   3  H       1.00    1.889726131   -4.962019610    4.504559060
   4  H       1.00    1.889726131   -4.967219080    4.507115942
   5  H       1.00    1.889726131   -5.611853422   -4.121044550
   6  H       1.00    1.889726131   -5.616477952   -4.118716214
   7  H       1.00    1.889726131  -10.608773047   -1.662419965
   8  H       1.00    1.889726131    1.081382717    1.310370107
   9  CL     17.00   32.125344234    5.860542378   -0.323527762


The error I am getting back is ERROR: BASIS LINEARLY DEPENDENT OR WRONG S. How do I stop the program from moving these around (have tried the noorient command).
Thanks!


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