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__707668150332292__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__707668150332292__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C104255950&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__707668150332292__","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":"707668150332292","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C104255950&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__707668150332292__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C104255950)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C104255950
The Resolver thinks Mol
NIST 07021513103D 1 1.00000 -1628.20584
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"
cas.number:"104255-95-0"
method:"B3LYP/6-31G*"
dipole.moment:"1.9808 debye"
electronic.energy:"-1628.20583897 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n10.8041 0.0398\n15.8139 0.2636\n20.4520 0.2558\n26.8012 0.0245\n36.4223 0.5743\n41.4842 0.0638\n49.1597 0.0700\n57.4569 1.8590\n61.3564 0.9976\n78.8343 0.3759\n82.2116 0.2002\n89.7833 1.3388\n99.8983 0.2234\n106.4675 0.6573\n134.2715 0.1533\n135.4164 0.1165\n142.5722 0.2282\n146.6279 0.5013\n148.6040 0.1849\n153.8608 0.1272\n162.7643 1.8304\n165.9458 4.2844\n168.6320 0.2291\n182.5873 1.1809\n188.0212 1.3345\n199.3824 3.0845\n211.6964 2.7595\n213.0031 2.3313\n221.7339 3.6560\n225.2012 0.6974\n231.5311 3.0505\n239.7610 0.0126\n243.1261 2.9973\n253.0799 0.9536\n272.4839 0.2562\n279.4142 1.0136\n285.0936 1.4352\n293.0592 1.3092\n297.9480 0.0372\n309.4290 10.9961\n312.3657 3.4287\n326.3670 10.5297\n348.0753 4.8434\n355.7858 8.2377\n376.1026 6.4235\n392.9806 2.5098\n395.7979 0.5278\n397.6831 1.8136\n400.5797 7.6540\n422.0082 5.6594\n460.9643 13.2015\n557.1315 1.8278\n563.3533 2.6386\n576.7834 2.0342\n625.3301 3.2478\n658.9572 12.3194\n670.2996 18.2661\n693.3474 26.4323\n700.0643 10.0096\n700.3069 12.1623\n707.0651 13.0015\n732.4335 72.5311\n741.7746 5.1301\n764.8039 42.9216\n773.8428 17.5266\n778.7331 2.5512\n779.8050 2.6237\n809.5646 63.8492\n811.3214 80.9130\n829.4728 7.2666\n830.9118 4.6770\n855.5269 10.7831\n862.9828 216.7287\n865.2014 201.2676\n887.9458 133.6153\n888.9379 64.9572\n943.9088 21.4282\n951.6148 149.2637\n954.6755 25.5020\n956.2726 8.8548\n957.3160 3.3193\n958.3281 4.8018\n971.3713 4.9997\n975.8054 0.0780\n979.1794 0.3623\n1023.8546 9.7751\n1040.9887 7.2284\n1042.4800 8.9800\n1045.2044 4.3537\n1049.7674 5.5984\n1052.6051 4.3839\n1070.7120 9.7383\n1099.7061 46.8366\n1119.3199 43.8501\n1155.8151 20.6525\n1214.7606 355.2958\n1224.9577 18.5563\n1225.6465 0.1522\n1226.7282 1.6207\n1227.9949 1.7603\n1248.9194 0.3024\n1249.6444 17.6988\n1255.7767 118.9139\n1267.1988 101.4376\n1294.2917 287.5636\n1321.8552 93.5868\n1326.8243 43.0634\n1330.3480 14.7795\n1331.6871 62.6584\n1336.4541 57.0080\n1337.9739 42.1959\n1346.4906 2.9172\n1350.9434 27.4273\n1383.1060 110.6552\n1417.2037 26.7904\n1425.8759 2.6345\n1427.5163 3.5473\n1428.0996 0.6488\n1429.7693 1.8204\n1431.6886 23.6280\n1458.3788 2.9512\n1461.0738 8.8915\n1484.9900 0.1106\n1487.5522 1.3313\n1490.1211 11.7877\n1493.4563 2.9836\n1495.0277 10.0494\n1496.5477 2.8381\n1498.0491 0.9517\n1501.5667 4.4437\n1505.7150 7.0744\n1507.8375 11.2306\n1516.1512 0.1892\n1516.6403 0.6059\n1517.0872 2.0998\n1517.3712 0.3275\n1520.0462 0.5667\n1520.9458 0.8638\n1522.9918 0.4343\n1524.1311 1.2868\n1536.9534 2.4018\n1537.8477 2.8704\n1539.0737 6.5488\n1539.1055 4.5234\n1539.6259 7.7684\n1547.1707 13.3271\n1549.4966 12.9766\n1792.8860 174.7863\n1798.6444 234.2430\n3015.4916 17.7791\n3023.2248 24.8947\n3023.3319 27.7112\n3023.3598 22.1425\n3024.1250 33.1748\n3029.7076 56.7004\n3030.1200 62.4549\n3036.8667 9.0452\n3037.6041 2.8186\n3045.3104 10.1599\n3048.1757 3.0411\n3050.3342 3.8168\n3050.6336 3.0611\n3051.2383 3.3804\n3052.9508 6.6514\n3055.5642 60.6900\n3075.5288 1.2661\n3080.6244 12.9488\n3082.1168 10.3168\n3083.7472 30.9665\n3085.0836 15.2692\n3088.6691 56.5349\n3089.0229 11.3538\n3089.1338 55.2483\n3101.7648 46.3659\n3102.2660 34.1389\n3106.7342 30.1331\n3112.1746 11.5656\n3114.6607 58.7136\n3114.7324 14.6694\n3115.6892 27.3944\n3120.6760 6.5561\n3121.5026 14.7272\n3123.7336 7.9007\n3123.8004 40.0759\n3126.4571 14.9368\n3142.6074 4.8096\n3144.6255 5.6972\n3145.1512 6.1959\n3145.9048 8.0429"
rotational.constants:"0.39705 GHz\n0.04378 GHz\n0.04243 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C104255950): 53 ms
reading 65 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
65 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 7 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10