{"id":20359,"date":"2025-10-26T09:00:37","date_gmt":"2025-10-26T00:00:37","guid":{"rendered":"https:\/\/blog.agentsoft.co.kr\/index.php\/2025\/10\/26\/20359\/"},"modified":"2025-10-26T09:00:37","modified_gmt":"2025-10-26T00:00:37","slug":"a-%eb%ac%bc%eb%a6%ac%ed%99%94%ed%95%99%ec%8b%a4%ed%97%98-%ea%b3%84%ec%82%b0%ed%99%94%ed%95%99-%ec%8b%a4%ec%8a%b5-gaussian-view-%ec%8b%a4%ed%97%98-%eb%b3%b4%ea%b3%a0%ec%84%9c","status":"publish","type":"post","link":"https:\/\/blog.agentsoft.co.kr\/index.php\/2025\/10\/26\/20359\/","title":{"rendered":"A+ \ubb3c\ub9ac\ud654\ud559\uc2e4\ud5d8-\uacc4\uc0b0\ud654\ud559 \uc2e4\uc2b5 (Gaussian View) \uc2e4\ud5d8 \ubcf4\uace0\uc11c"},"content":{"rendered":"

<\/p>\n

\ubaa9\ucc28<\/strong><\/p>\n

1.\uc11c\ub860
\n2.\uc2dc\uc57d \ubc0f \uc2e4\ud5d8 \ubc29\ubc95
\n3.\uc2e4\ud5d8\uacb0\uacfc \ubc0f \uace0\ucc30
\n4.\ucc38\uace0\ubb38\ud5cc<\/p>\n

\ubcf8\ubb38\ub0b4\uc6a9<\/strong><\/p>\n

1. \uc11c\ub860
\n* \uacc4\uc0b0\ud654\ud559:
\n\uacc4\uc0b0\ud654\ud559\uc740 \ud654\ud559 \uc804\uccb4\ub97c \ud06c\uac8c \ub098\ub204\ub294 \ubd84\ub958 \uc911 \ud558\ub098\uc778 \ubb3c\ub9ac\ud654\ud559 \ubd84\uc57c\uc5d0 \uc18d\ud558\ub294 \uc774\ub860\ubb3c\ub9ac\ud654\ud559\uc758 \ud55c \ubd80\ubd84\uc774\ub77c\uace0 \ud560 \uc218 \uc788\ub2e4. \uc774\ub860 \uc218\uc2dd \ubc0f \ubaa8\ud615(Theoretical Model) \uc790\uccb4\ub97c \uc5f0\uad6c\ud558\ub294\ub370 \uc9d1\uc911\ud558\ub294 \uc804\ud1b5\uc801\uc778 \uc774\ub860\ud654\ud559\uc774\ub77c\uae30\ubcf4\ub2e4\ub294, \uc774\ub860 \ubaa8\ud615\uc744 \uae30\ubc18\uc73c\ub85c \uac1c\ubc1c\ub41c \ucef4\ud4e8\ud130 \ud504\ub85c\uadf8\ub7a8\uc744 \uc5f0\uad6c\ub300\uc0c1\uc778 \ubd84\uc790\uc5d0 \uc801\uc6a9\ud558\uc5ec \ubaa8\uc0ac\uc2e4\ud5d8(Simulation experiment)\uc744 \uc218\ud589\ud55c \ud6c4, \uadf8 \uacb0\uacfc\ub97c \ubd84\uc11d\ud558\ub294 \uac83\uc774 \uacc4\uc0b0\ud654\ud559 \ubd84\uc57c \uc5f0\uad6c\uc758 \uc8fc\uc694 \ub0b4\uc6a9\uc774\ub2e4. \ud654\ud559\uc744 \ucc98\uc74c \ubc30\uc6b0\ub294 \ud559\uc0dd\ub4e4\uc774 \uc0ac\uc6a9\ud558\ub294 \ud50c\ub77c\uc2a4\ud2f1 \ubd84\uc790\ubaa8\ud615\uc740 \ubd84\uc790\uc758 \uad6c\uc870\ub97c \ub208\uc73c\ub85c \ubcf4\uba74\uc11c \uc774\ud574\ud558\ub3c4\ub85d \ub3c4\uc640\uc8fc\ub294 \ubaa8\ud615\uc744 \ub300\ud45c\ud55c\ub2e4. \uc219\ub828\ub41c \ud654\ud559\uc790\ub4e4\uc740 \ub3d9\uc77c\ud55c \ubaa9\uc801\uc744 \uc704\ud558\uc5ec \ucef4\ud4e8\ud130 \ud654\uba74\uc5d0 \ubd84\uc790\uad6c\uc870\ub97c \uadf8\ub824\uc8fc\ub294 \ud504\ub85c\uadf8\ub7a8\ub4e4\uc744 \uc0ac\uc6a9\ud574 \uc654\ub2e4. \uc774\ub7ec\ud55c \ubaa8\ub4e0 \ubaa8\ud615\ub4e4\uc758 \uacf5\ud1b5\uc810\uc740 \ud654\ud559\uc758 \uc2e4\uc81c \ub300\uc0c1\ub4e4\uacfc \uacfc\uc815\ub4e4\uc744 \uadfc\uc0ac\ud558\uae30 \uc704\ud558\uc5ec \ubbf8\ub9ac \uc815\uc758\ub41c \uad6c\uc131 \uc694\uc18c\ub4e4\uacfc \uaddc\uce59\ub4e4\uc758 \uc870\ud569\uc744 \uc0ac\uc6a9\ud55c\ub2e4\ub294 \uac83\uc774\ub2e4. \uc774\ub7ec\ud55c \uae30\uc874\uc758 \ub3c4\uad6c-\ubaa8\ud615\ub4e4\uacfc \uacc4\uc0b0\ud654\ud559\uc5d0\uc11c \uc0ac\uc6a9\ud558\ub294 \uc774\ub860-\ubaa8\ud615\ub4e4 \uc0ac\uc774\uc758 \uac00\uc7a5 \ud070 \ucc28\uc774\ub294 \ub2e8\uc9c0 \uc815\uc131\uc801\uc778 \uc8fc\uc694 \ud2b9\uc131\ub4e4\uc744 \ud45c\ud604\ud558\ub294 \ub370 \uba38\ubb3c\uc9c0 \uc54a\uace0, \uc2e4\uc81c\ub85c \uc2e0\ub8b0\ud560 \uc218 \uc788\ub294 \uc218\uc900\uc758 \uc815\ub7c9\uc801 \uacb0\uacfc\ub4e4\uc744 \uc81c\uacf5\ud560 \uc218 \uc788\ub2e4\ub294 \uac83\uc774\ub2e4<\/p>\n

<\uc911 \ub7b5><\/p>\n

* Job Type
\n-Energy: \uace0\uc815\ub41c \ub2e8\uc77c geometry\uc5d0\uc11c \uc5d0\ub108\uc9c0 \ubc0f \ud30c\ub3d9 \ud568\uc218\ub97c \uacc4\uc0b0
\n-Optimization: structure\uc758 \ucd5c\uc18c \uc5d0\ub108\uc9c0 \uad6c\uc131\uc744 \ucc3e\uae30 \uc704\ud55c \uacc4\uc0b0
\n-Frequency: structure\uc758 \uc5f4\ud654\ud559\uc801 \ud2b9\uc131 \uacc4\uc0b0
\n-Opt + Freq: optimization\uacfc frequency\ub97c \uacc4\uc0b0
\n-IRC: intrinsic reaction coordinate\ub97c \uc801\ubd84\ud558\uc5ec \ubc18\uc751\uacbd\ub85c\ub97c \ub530\ub974\ub3c4\ub85d \uacc4\uc0b0
\n-Scan: \ub2e8\uc77c \uc9c0\uc810 \uc5d0\ub108\uc9c0 \uacc4\uc0b0\uc744 \uc218\ud589\ud558\uc5ec \uc704\uce58 \uc5d0\ub108\uc9c0 \ud45c\uba74\uc744 \uc2a4\uce94
\n-Stability: imaginary (negative) frequency\uac00 \uc874\uc7ac\ud558\ub294\uc9c0 \ud655\uc778\ud558\uc5ec \uc548\uc815\uc131\uc744 \ud655\uc778
\n-NMR: NMR shielding tensors\ub97c \uc608\uce21<\/p>\n

\ucd9c\ucc98 : \ud574\ud53c\ucea0\ud37c\uc2a4<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

\ubaa9\ucc28 1.\uc11c\ub860 2.\uc2dc\uc57d \ubc0f \uc2e4\ud5d8 \ubc29\ubc95 3.\uc2e4\ud5d8\uacb0\uacfc \ubc0f \uace0\ucc30 4.\ucc38\uace0\ubb38\ud5cc \ubcf8\ubb38\ub0b4\uc6a9 1. \uc11c\ub860 * \uacc4\uc0b0\ud654\ud559: \uacc4\uc0b0\ud654\ud559\uc740 \ud654\ud559 \uc804\uccb4\ub97c \ud06c\uac8c \ub098\ub204\ub294 \ubd84\ub958 \uc911 \ud558\ub098\uc778 \ubb3c\ub9ac\ud654\ud559 \ubd84\uc57c\uc5d0 \uc18d\ud558\ub294 \uc774\ub860\ubb3c\ub9ac\ud654\ud559\uc758 \ud55c \ubd80\ubd84\uc774\ub77c\uace0 \ud560 \uc218 \uc788\ub2e4. \uc774\ub860 \uc218\uc2dd \ubc0f \ubaa8\ud615(Theoretical Model) \uc790\uccb4\ub97c \uc5f0\uad6c\ud558\ub294\ub370 \uc9d1\uc911\ud558\ub294 \uc804\ud1b5\uc801\uc778 \uc774\ub860\ud654\ud559\uc774\ub77c\uae30\ubcf4\ub2e4\ub294, \uc774\ub860 \ubaa8\ud615\uc744 \uae30\ubc18\uc73c\ub85c \uac1c\ubc1c\ub41c \ucef4\ud4e8\ud130 \ud504\ub85c\uadf8\ub7a8\uc744 \uc5f0\uad6c\ub300\uc0c1\uc778 \ubd84\uc790\uc5d0 \uc801\uc6a9\ud558\uc5ec \ubaa8\uc0ac\uc2e4\ud5d8(Simulation experiment)\uc744 \uc218\ud589\ud55c \ud6c4, […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[25167,25168,4619,15064,15066],"class_list":["post-20359","post","type-post","status-publish","format-standard","hentry","category-uncategorized","tag-25167","tag-25168","tag-4619","tag-15064","tag-15066"],"_links":{"self":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/posts\/20359","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/comments?post=20359"}],"version-history":[{"count":0,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/posts\/20359\/revisions"}],"wp:attachment":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/media?parent=20359"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/categories?post=20359"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/tags?post=20359"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}