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__8414877197823079__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__8414877197823079__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=R13179&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__8414877197823079__","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":"8414877197823079","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=R13179&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__8414877197823079__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=R13179)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=R13179
The Resolver thinks Mol
NIST 07021513123D 1 1.00000 -580.44695
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:"2015-07-02"
webbook.id:"R13179"
method:"B3LYP/6-31G*"
dipole.moment:"4.1689 debye"
electronic.energy:"-580.446954438 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n36.6329 2.4953\n87.0545 1.8432\n107.2241 0.4242\n148.2996 3.1030\n171.2223 1.0741\n197.5115 2.7887\n205.7076 0.4071\n224.3237 0.0687\n258.9819 0.6941\n286.6038 0.1213\n307.4891 4.4569\n348.0750 0.1164\n382.9741 0.4515\n416.3571 0.4133\n429.2393 0.1500\n466.9877 2.2760\n518.6146 0.8431\n571.3434 0.8773\n614.7249 10.0460\n633.4212 0.1496\n695.5374 5.1062\n745.3952 0.9393\n788.8226 1.7847\n817.3829 6.1660\n849.0797 0.9098\n875.6617 0.5412\n890.3451 0.5506\n929.4364 2.1313\n954.4128 0.5421\n956.0291 9.2599\n965.0094 2.9485\n976.3432 27.0680\n998.3516 1.9030\n1013.2481 3.0043\n1040.7087 19.6049\n1059.6869 8.6069\n1095.7345 5.7833\n1108.8546 31.2634\n1124.3409 19.7106\n1155.9346 30.4547\n1167.2842 88.6352\n1176.2209 3.5696\n1179.2843 25.1085\n1202.1490 0.6133\n1234.4345 52.3971\n1246.0431 59.8228\n1247.8884 55.4228\n1259.0595 44.6948\n1285.5199 0.9058\n1297.9243 0.7580\n1307.0023 2.0168\n1319.7689 0.3052\n1344.2471 4.4250\n1360.2534 3.5292\n1361.8763 11.6033\n1390.5774 50.2808\n1434.4642 6.1944\n1454.1339 4.2750\n1505.5852 6.4420\n1512.7011 0.4046\n1519.2203 1.4149\n1524.6251 16.8665\n1530.7628 16.3412\n1531.3215 6.0809\n1537.6094 2.1421\n1542.0694 4.2102\n1552.8652 3.3243\n1560.1451 10.2445\n1831.4789 244.0186\n3043.7354 9.7325\n3048.2158 24.2858\n3051.0222 33.3564\n3055.5413 31.9005\n3062.5815 28.9952\n3064.4359 24.0662\n3084.3568 19.5761\n3087.2826 48.1263\n3096.4107 2.3201\n3098.8243 31.7393\n3103.0853 39.5687\n3106.0814 46.4786\n3109.1674 42.5394\n3127.4591 31.9800\n3134.4690 45.5196\n3151.5653 29.4036\n3158.7957 26.1245\n3173.1445 5.1250"
rotational.constants:"1.40755 GHz\n0.59008 GHz\n0.52041 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=R13179): 356 ms
reading 31 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
31 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 8 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10