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Dear Behnam,
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<div class="">in your 3rd contraction for your d-type function for O atom, you have a period instead of a comma, i.e.,:</div>
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<div class=""> c, 3.3. 1</div>
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<div class="">should be</div>
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<div class="">c, 3.3, 1</div>
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<div class="">regards,</div>
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<div class="">-Kirk<br class="">
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<div class="">On Mar 20, 2018, at 12:21 AM, behnam nikoobakht <<a href="mailto:bnikoobakht@yahoo.com" class="">bnikoobakht@yahoo.com</a>> wrote:</div>
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<div id="yui_3_16_0_ym19_1_1521522744819_3237" class="">Dear molpro user,</div>
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<div id="yui_3_16_0_ym19_1_1521522744819_3523" dir="ltr" class="">I want to use basis sets that generated by using EMSL website. I set up a HF calculation for a molecule.</div>
<div id="yui_3_16_0_ym19_1_1521522744819_3524" dir="ltr" class="">I attached my output file. As you can see, there is a problem with my basis set. Does anyone know what is the problem ?</div>
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<div id="yui_3_16_0_ym19_1_1521522744819_3574" dir="ltr" class="">Best regards,</div>
<div id="yui_3_16_0_ym19_1_1521522744819_3575" dir="ltr" class="">Behnam<br class="">
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<span id="cid:1a9bf573-01e4-ef52-32ac-3981e99de3e0@yahoo.com"><fenchone.out></span>_______________________________________________<br class="">
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