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__848308011775562__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__848308011775562__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=R563309&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__848308011775562__","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":"848308011775562","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=R563309&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__848308011775562__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=R563309)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=R563309
The Resolver thinks Mol
NIST 06131514113D 1 1.00000 -1255.14264
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:"2015-06-13"
webbook.id:"R563309"
method:"B3LYP/6-31G*"
dipole.moment:"3.1084 debye"
electronic.energy:"-1255.14263980 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n15.1545 0.0906\n25.1648 0.1865\n33.3877 1.0307\n46.0996 0.0321\n58.5433 0.3172\n68.1955 2.7461\n72.2672 1.0044\n85.3931 0.4964\n92.6003 0.7544\n108.3555 1.4956\n122.2222 1.3222\n136.1063 0.0106\n144.4546 0.0096\n147.1903 3.8527\n163.9245 0.0219\n187.5707 2.0243\n193.0150 2.9057\n216.5354 1.2753\n217.1472 0.7190\n228.0706 13.9700\n229.2316 2.1675\n242.4884 0.0961\n245.6669 0.5658\n250.3828 2.4918\n272.5061 1.1655\n280.2681 1.9432\n282.5056 1.1639\n296.0417 1.2837\n312.0556 6.7526\n331.3359 1.6029\n348.1026 9.4960\n374.6575 2.0696\n382.2532 3.4386\n396.9007 1.8395\n401.2876 2.1736\n417.1476 3.1135\n481.2089 2.3623\n516.7744 7.5579\n561.4777 4.6531\n567.4453 2.4541\n573.9509 1.0728\n590.8082 1.6726\n621.6619 3.1931\n661.3933 15.9922\n697.1774 6.4051\n701.2802 6.3859\n722.5589 12.4605\n740.6750 47.8807\n750.9773 67.9291\n773.9876 0.2363\n784.3391 1.4945\n798.5866 3.1037\n809.7967 45.3722\n812.8635 75.4286\n832.2366 7.5312\n865.1635 240.2539\n889.7446 69.4990\n895.1642 37.5882\n901.1033 15.6693\n948.3608 82.7515\n956.2950 3.6584\n957.4799 4.8869\n960.1637 18.1215\n977.1899 0.0721\n1035.2282 0.8439\n1041.8164 8.5976\n1047.6004 4.6968\n1066.3822 20.5945\n1070.6233 60.1269\n1099.5264 72.2579\n1160.5595 36.9424\n1186.3777 0.9142\n1187.0851 1.3156\n1192.5890 1.5151\n1198.0141 11.9743\n1208.1757 485.4884\n1218.8306 29.6555\n1227.5882 4.7277\n1228.2726 3.1977\n1229.5260 21.9862\n1250.9342 2.6032\n1268.1343 339.8591\n1300.5771 10.6695\n1315.1817 211.8512\n1325.6742 35.8018\n1328.7736 28.1309\n1331.9259 37.5164\n1337.2650 100.7877\n1381.6631 16.5284\n1413.5150 89.3252\n1425.1966 2.1912\n1427.5259 4.0852\n1457.5594 2.8964\n1477.6967 62.3116\n1484.7870 0.0618\n1488.7668 9.2097\n1494.9382 9.4929\n1498.3824 0.5342\n1498.6169 26.0315\n1503.5090 2.3956\n1507.8699 11.8541\n1512.3757 8.3907\n1516.9320 0.1568\n1519.4858 4.7616\n1519.8745 5.5584\n1520.8137 1.4017\n1521.6755 0.0436\n1534.1481 113.0514\n1536.4607 2.5501\n1538.0017 5.0036\n1538.0718 5.0961\n1548.8142 15.9428\n1554.8587 119.6790\n1641.2621 31.9487\n1676.8414 17.9464\n1795.5762 197.3277\n3018.1264 58.5183\n3020.4316 66.0466\n3022.4238 28.4350\n3022.7011 25.7829\n3028.9703 62.0265\n3050.5546 3.6049\n3052.3616 6.9695\n3057.5059 10.5563\n3073.8582 46.0093\n3075.9254 14.2072\n3077.2555 48.9542\n3081.6354 11.3511\n3084.5859 17.3346\n3088.0406 67.3378\n3099.9095 1.6871\n3101.3545 34.0094\n3113.1694 12.6907\n3115.6025 52.2520\n3120.3605 5.5958\n3121.1700 14.1019\n3122.0943 14.6967\n3140.6219 4.8890\n3142.7946 7.7826\n3152.8909 39.8828\n3153.2165 14.2837\n3200.7428 7.1960\n3215.7722 12.0662\n3231.0218 11.3215"
rotational.constants:"0.48456 GHz\n0.09078 GHz\n0.08659 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Sarah Wollman"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=R563309): 92 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: 8 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10