loadScript ../packages/jsmol/j2s/core/package.js
loadScript ../packages/jsmol/j2s/core/corejmol.z.js
loadScript ../packages/jsmol/j2s/J/translation/PO.js
loadScript ../packages/jsmol/j2s/core/corescript.z.js
JSmol exec MoleculeDisplay load JSExporter J.export.JSExporter
loadScript ../packages/jsmol/j2s/J/export/JSExporter.js
loadScript ../packages/jsmol/j2s/J/export/___Exporter.js
loadScript ../packages/jsmol/j2s/J/export/Export3D.js
loadScript ../packages/jsmol/j2s/J/export/__CartesianExporter.js
loadScript ../packages/jsmol/j2s/J/g3d/HermiteRenderer.js
loadScript ../packages/jsmol/j2s/J/export/UseTable.js
JSmol exec MoleculeDisplay start applet null
Jmol JavaScript applet MoleculeDisplay__400567863150568__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__400567863150568__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R413833&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__400567863150568__","codePath":"https://webbook.nist.gov/cgi/../packages/jsmol/j2s/","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol object]","script":";set multipleBondSpacing 0.35;","syncId":"400567863150568","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R413833&Type=JSmol"
(C) 2015 Jmol Development
Jmol Version: 14.29.53 2019-08-18 15:32
java.vendor: Java2Script (WebGL)
java.version: 2019-06-08 00:17:46 (JSmol/j2s)
os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)
Access: ALL
memory: 0.0/0.0
processors available: 1
useCommandThread: false
appletId:MoleculeDisplay (signed)
Jmol getValue emulate null
defaults = "Jmol"
Jmol getValue boxbgcolor null
Jmol getValue bgcolor black
backgroundColor = "black"
Jmol getValue ANIMFRAMECallback null
Jmol getValue APPLETREADYCallback Jmol._readyCallback
APPLETREADYCallback = "Jmol._readyCallback"
StatusManager callback set for APPLETREADYCallback f=Jmol._readyCallback cb=APPLETREADY
Jmol getValue ATOMMOVEDCallback null
Jmol getValue AUDIOCallback null
Jmol getValue CLICKCallback null
Jmol getValue DRAGDROPCallback null
Jmol getValue ECHOCallback null
Jmol getValue ERRORCallback null
Jmol getValue EVALCallback null
Jmol getValue HOVERCallback null
Jmol getValue IMAGECallback null
Jmol getValue LOADSTRUCTCallback null
Jmol getValue MEASURECallback null
Jmol getValue MESSAGECallback null
Jmol getValue MINIMIZATIONCallback null
Jmol getValue SERVICECallback null
Jmol getValue PICKCallback null
Jmol getValue RESIZECallback null
Jmol getValue SCRIPTCallback null
Jmol getValue SYNCCallback null
Jmol getValue STRUCTUREMODIFIEDCallback null
Jmol getValue doTranslate null
language=en_US
Jmol getValue popupMenu null
Jmol getValue script ;set multipleBondSpacing 0.35;
Jmol getValue loadInline null
Jmol getValue load null
script 1 started
multipleBondSpacing = 0.35
Script completed
Jmol script terminated
loadScript ../packages/jsmol/j2s/core/coreprop.z.js
loadScript ../packages/jsmol/j2s/JU/XmlUtil.js
Jmol applet MoleculeDisplay__400567863150568__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R413833)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R413833
The Resolver thinks Mol
NIST 06221509573D 1 1.00000 -822.13671
Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.
copyright:"Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved."
date:"2015-06-22"
webbook.id:"R413833"
method:"B3LYP/6-31G*"
dipole.moment:"1.6434 debye"
electronic.energy:"-822.136706665 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n11.6673 0.1166\n13.8959 0.0775\n27.6634 0.0300\n30.6322 0.0404\n34.9578 0.1479\n46.2893 1.1149\n59.9388 0.1738\n67.6630 0.4605\n72.4045 0.5017\n88.2117 0.3721\n107.2347 0.2561\n109.2996 0.1394\n121.6102 0.1256\n126.4972 0.1538\n136.7596 0.2116\n143.2417 0.3480\n145.2247 0.6314\n158.0612 0.0477\n167.6351 0.0341\n198.8586 0.6266\n210.7774 0.2569\n229.5983 0.0310\n235.7571 0.2668\n247.8199 0.0013\n255.6058 0.0351\n297.6119 0.2569\n320.3441 0.5108\n347.1331 0.5634\n388.4076 0.7288\n396.6293 0.4684\n418.5742 2.9387\n431.0626 0.2551\n463.8914 4.5150\n478.4650 0.1075\n501.4169 0.6934\n523.0470 0.0548\n587.4821 4.4701\n736.2369 3.6768\n737.2206 2.3563\n740.2394 2.2988\n746.7438 6.6125\n754.0521 0.4730\n764.7091 7.2656\n785.6806 2.4373\n817.7284 2.1915\n831.7652 1.9779\n860.4974 2.9814\n884.8687 2.3596\n904.2408 1.4939\n929.2377 29.4540\n936.9999 1.3434\n941.7846 3.0920\n953.5841 0.2066\n974.8527 0.0593\n982.9958 0.2872\n990.2275 0.9879\n999.4176 0.5065\n1011.8995 0.8425\n1021.8875 0.3803\n1025.7596 0.5282\n1035.9078 0.6923\n1050.8961 0.1795\n1055.0985 3.9552\n1059.2729 0.0835\n1066.2951 0.4715\n1071.1016 0.1012\n1072.3275 0.2338\n1074.2315 0.3818\n1079.8306 11.3386\n1093.4861 0.2203\n1115.4267 0.0283\n1128.3335 0.2958\n1152.7642 2.3737\n1161.7637 1.1546\n1184.6233 6.4823\n1203.7556 3.0688\n1206.2234 2.6362\n1224.7917 0.3668\n1236.0770 5.6443\n1241.6363 3.5496\n1251.6509 0.1093\n1267.9577 1.3944\n1276.3171 1.6886\n1282.6771 0.1343\n1291.6123 2.3977\n1304.1114 1.3295\n1311.0309 0.0136\n1320.0772 0.4128\n1332.9268 0.0643\n1336.6290 0.4643\n1337.2353 0.1220\n1344.3395 0.4472\n1346.6912 0.1225\n1348.0535 0.1351\n1352.4075 0.2314\n1353.9587 0.5110\n1354.5105 0.3973\n1366.2812 6.5696\n1383.9623 6.8406\n1388.8853 6.5700\n1396.9751 2.4236\n1411.6146 3.3845\n1420.4907 0.4218\n1424.9094 0.0942\n1426.5566 0.4705\n1428.1160 0.6992\n1429.4302 4.1169\n1433.0480 2.6523\n1441.2964 0.9895\n1451.6403 4.2325\n1500.8630 0.6132\n1504.3041 1.5315\n1509.2832 0.3805\n1511.7934 0.0180\n1512.1867 0.0350\n1514.7542 0.1150\n1515.7867 0.0378\n1518.1959 0.3303\n1520.7545 0.7036\n1523.2701 2.8462\n1524.7295 6.0504\n1526.3143 0.9287\n1529.5366 5.8045\n1530.4770 0.2454\n1534.4607 1.7871\n1536.3793 1.9085\n1536.6023 1.4443\n1541.4538 0.2081\n1542.0840 11.8347\n1544.7078 5.2526\n3001.7028 7.9494\n3008.8452 0.4058\n3008.9284 17.6271\n3009.1015 0.4141\n3010.8688 0.2995\n3012.7092 0.5290\n3013.7017 2.8323\n3018.0340 0.7070\n3021.3664 15.3828\n3021.9312 3.0217\n3024.6886 6.5209\n3027.3387 20.7008\n3027.8103 28.2292\n3028.9998 223.6703\n3030.2871 7.5353\n3031.3087 19.9821\n3034.3541 14.2505\n3035.2851 35.6662\n3039.4227 5.6776\n3041.0907 45.7929\n3041.6185 16.9532\n3043.4995 37.9463\n3048.0803 2.3809\n3057.2074 6.7484\n3062.6864 2.9528\n3066.9049 3.7605\n3068.6841 0.1747\n3075.7171 150.7401\n3083.2156 97.9817\n3089.4009 5.6381\n3095.1164 40.7222\n3097.3770 13.2279\n3102.8135 21.2148\n3103.5603 157.5236\n3105.6387 71.3647\n3108.0198 56.8967\n3110.3193 45.9961\n3120.5665 40.2387"
rotational.constants:"1.80285 GHz\n0.04071 GHz\n0.04020 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Yvonne Niyonzima"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R413833): 137 ms
reading 58 atoms
ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
Default Van der Waals type for model set to Babel
58 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 9 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10