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<TITLE>BASIS LINEARLY DEPENDENT OR WRONG </TITLE>
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<P><FONT SIZE=2>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 <BR>
C 6.00 -3.546106990 -1.104737676 -0.000018897<BR>
N 7.00 -2.172442389 1.330958681 0.000086927<BR>
H 1.00 -2.625787688 2.383709991 -1.551457595<BR>
H 1.00 -2.628539129 2.385063035 1.549879674<BR>
H 1.00 -2.969664931 -2.180762853 -1.678381051<BR>
H 1.00 -2.972112127 -2.179530751 1.679977869<BR>
H 1.00 -5.613920912 -0.879714757 -0.001619495<BR>
H 1.00 0.572243088 0.693417996 0.001046908<BR>
CL 17.00 3.101265459 -0.171203518 0.000003779<BR>
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and the geometry specification is inexplicably changing and converting to this...<BR>
<BR>
1 C 6.00 11.338356789 -6.701171044 -2.087651655<BR>
2 N 7.00 13.228082920 -4.105321152 2.515147399<BR>
3 H 1.00 1.889726131 -4.962019610 4.504559060<BR>
4 H 1.00 1.889726131 -4.967219080 4.507115942<BR>
5 H 1.00 1.889726131 -5.611853422 -4.121044550<BR>
6 H 1.00 1.889726131 -5.616477952 -4.118716214<BR>
7 H 1.00 1.889726131 -10.608773047 -1.662419965<BR>
8 H 1.00 1.889726131 1.081382717 1.310370107<BR>
9 CL 17.00 32.125344234 5.860542378 -0.323527762<BR>
<BR>
<BR>
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).<BR>
Thanks!<BR>
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