{"id":5791,"date":"2016-09-19T11:47:39","date_gmt":"2016-09-19T18:47:39","guid":{"rendered":"http:\/\/blogs.reed.edu\/chem201202\/?p=5791"},"modified":"2016-09-19T11:47:39","modified_gmt":"2016-09-19T18:47:39","slug":"ethanol-ir-models","status":"publish","type":"post","link":"https:\/\/blogs.reed.edu\/chem201202\/2016\/09\/ethanol-ir-models\/","title":{"rendered":"Ethanol IR models"},"content":{"rendered":"<p>Click on the <a href=\"https:\/\/www.dropbox.com\/s\/evp86z90hzu10pp\/201.16%20ethanol%20monomer%20dimer%20edf2.spartan?dl=0\" target=\"_blank\"><strong>link<\/strong><\/a> to download a Spartan EDF2\/6-31G** model of ethanol monomer and ethanol dimer. The models have been combined in a single file (a &#8216;list&#8217; model) and they already contain calculated IR spectra, so do not replace them with SSPD models.<\/p>\n<p><strong>Note:<\/strong> the IR frequencies in these models are unscaled and do not reproduce experimental values.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Click on the link to download a Spartan EDF2\/6-31G** model of ethanol monomer and ethanol dimer. The models have been combined in a single file (a &#8216;list&#8217; model) and they already contain calculated IR spectra, so do not replace them with SSPD models. Note: the IR frequencies in these models are unscaled and do not [&hellip;]<\/p>\n","protected":false},"author":55,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[6],"tags":[],"class_list":["post-5791","post","type-post","status-publish","format-standard","hentry","category-labs"],"_links":{"self":[{"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/posts\/5791","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/users\/55"}],"replies":[{"embeddable":true,"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/comments?post=5791"}],"version-history":[{"count":2,"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/posts\/5791\/revisions"}],"predecessor-version":[{"id":5793,"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/posts\/5791\/revisions\/5793"}],"wp:attachment":[{"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/media?parent=5791"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/categories?post=5791"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/blogs.reed.edu\/chem201202\/wp-json\/wp\/v2\/tags?post=5791"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}