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__9590262605992197__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__9590262605992197__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=R331281&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__9590262605992197__","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":"9590262605992197","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=R331281&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__9590262605992197__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=R331281)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=R331281
The Resolver thinks Mol
NIST 06111518523D 1 1.00000 -1204.05747
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:"2015-06-11"
webbook.id:"R331281"
method:"B3LYP/6-31G*"
dipole.moment:"3.3163 debye"
electronic.energy:"-1204.05747373 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n24.1666 1.7543\n29.8811 0.1792\n32.0610 0.3169\n39.8828 0.4553\n43.4094 0.2194\n52.6307 4.8173\n53.1834 1.0679\n62.1851 1.0384\n67.8552 0.2349\n72.4146 0.5624\n88.3185 2.1949\n97.1052 4.8523\n110.6183 1.1577\n127.9646 0.8991\n141.6802 0.3283\n161.2019 1.8499\n169.3431 0.2622\n181.2176 1.8118\n193.1994 1.0284\n226.1843 0.2712\n236.6582 1.7550\n256.0210 3.2449\n275.9578 1.9163\n290.3763 0.9857\n325.5451 0.3443\n328.8431 2.3336\n346.3502 10.4269\n353.6642 0.8141\n373.0674 1.0276\n413.3729 5.3822\n420.6212 1.2976\n427.5705 4.5919\n438.8583 3.5392\n458.9889 1.1140\n466.1658 5.5669\n504.3755 2.5742\n517.1968 0.8468\n548.9734 13.6976\n565.3900 9.6367\n591.2196 3.6073\n607.6497 11.4897\n633.8478 5.1470\n650.4561 11.9872\n653.2959 1.0505\n662.8573 2.5132\n708.7908 1.8980\n717.0817 0.3826\n737.0911 2.1552\n743.6210 2.7106\n748.3849 4.7011\n770.3966 7.1015\n803.7525 8.7616\n811.8903 1.6206\n843.8113 22.5084\n844.7180 6.9439\n860.8203 2.0570\n868.0379 2.6959\n886.2527 9.0264\n893.1125 19.5578\n928.1991 39.4727\n962.5468 0.8550\n975.3254 1.6062\n978.7713 1.4486\n997.5133 19.7164\n1018.8444 5.1728\n1026.0234 51.7690\n1035.3187 3.2161\n1044.3876 18.7704\n1069.1257 33.5833\n1074.9855 7.3358\n1075.1416 11.5131\n1083.2841 3.3988\n1087.2592 2.5880\n1136.9828 6.3244\n1138.9092 11.5556\n1150.4198 20.5165\n1169.2371 312.6627\n1186.6765 10.7373\n1198.2549 83.4445\n1219.1686 12.1159\n1220.5965 31.1592\n1240.3041 514.9395\n1242.3559 3.2692\n1252.7546 126.0415\n1270.9173 16.9045\n1287.8333 51.4426\n1312.4293 29.4557\n1326.7645 2.0810\n1340.7753 3.0188\n1352.5805 1.7355\n1367.6909 12.8682\n1396.2867 56.0736\n1415.9762 63.8094\n1423.7251 61.9349\n1442.9475 2.6805\n1443.3439 3.6652\n1446.9738 55.4191\n1453.4852 19.1214\n1455.9948 67.2568\n1478.2782 21.4747\n1493.9605 13.2679\n1499.6779 14.8423\n1504.2041 14.1115\n1504.3237 2.1825\n1511.4850 9.4422\n1516.5183 6.0575\n1519.9327 8.3631\n1521.7176 11.0333\n1532.0081 9.9363\n1533.1950 23.8672\n1534.9764 5.9676\n1543.8448 21.3889\n1565.4030 21.0292\n1566.5281 30.4253\n1580.3714 4.9582\n1590.0730 14.8442\n1621.3686 1.7022\n1673.7009 0.7459\n1702.3987 22.8796\n1735.6405 282.7056\n1854.0544 189.0362\n3030.6458 19.5165\n3038.6141 82.9807\n3039.8341 53.2540\n3053.9024 31.2126\n3063.6078 14.3320\n3073.5621 1.7347\n3079.0126 34.5747\n3084.1973 20.4376\n3094.9791 22.2538\n3110.4856 10.4557\n3124.2221 16.4380\n3135.9097 4.4871\n3139.8991 15.1476\n3139.9748 4.2392\n3176.0755 23.3335\n3178.0788 25.6363\n3186.0160 7.6506\n3196.9505 1.3727\n3202.3637 14.2924\n3213.2130 1.4625\n3219.9552 3.4592\n3242.2207 21.0004\n3247.4237 2.4190"
rotational.constants:"0.29024 GHz\n0.10283 GHz\n0.08206 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Yvonne Niyonzima"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=R331281): 124 ms
reading 50 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
50 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