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__477243848988401__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__477243848988401__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C1889674&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__477243848988401__","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":"477243848988401","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C1889674&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__477243848988401__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C1889674)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C1889674
The Resolver thinks Mol
NIST 07021512593D 1 1.00000 -699.16062
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:"1889-67-4"
method:"B3LYP/6-31G*"
dipole.moment:"0.0000 debye"
electronic.energy:"-699.160619726 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n12.6089 0.0010\n41.8307 0.0006\n63.2645 0.0000\n68.6404 0.0869\n110.6867 0.0000\n227.5930 0.0000\n234.1692 0.0000\n251.4398 0.2170\n259.5675 1.4536\n277.5546 0.0051\n281.0062 0.0001\n295.5754 0.0127\n296.8754 0.5811\n311.0528 0.0000\n320.7388 0.0000\n362.4796 0.0000\n377.6467 0.4004\n387.7256 0.0000\n419.1144 0.0000\n419.2775 0.0289\n434.1940 1.2248\n434.6388 0.2626\n503.4114 0.0000\n505.2077 0.0000\n523.3521 4.2748\n594.9533 0.0000\n598.5141 11.0875\n636.6901 0.0070\n636.7562 0.0000\n671.7969 0.0000\n716.1783 0.0012\n716.9256 57.3231\n741.9124 5.4817\n778.5975 0.0000\n788.8594 36.4087\n802.0691 0.0000\n859.3078 0.0691\n859.8777 0.0000\n892.8329 1.0531\n923.4183 0.0000\n933.3411 4.1832\n945.8410 0.0000\n958.1929 0.9401\n969.4571 0.2263\n969.8073 0.0000\n972.9473 0.0000\n993.6769 0.2979\n994.3111 0.0000\n1018.1976 2.8337\n1018.3960 0.0000\n1021.2449 0.0062\n1040.3159 0.0000\n1060.8902 19.9844\n1062.3411 0.0000\n1096.6533 6.4690\n1117.9011 0.0000\n1120.8491 21.9557\n1134.6916 0.0000\n1154.7453 0.9375\n1184.5859 25.7226\n1194.6241 0.0000\n1195.1254 0.0506\n1212.6229 0.0000\n1217.2128 0.0000\n1230.9496 3.9932\n1232.1335 0.0001\n1242.3622 12.6548\n1286.5801 0.0000\n1337.0363 1.4437\n1338.8462 0.0000\n1373.1621 0.0000\n1373.6116 0.1048\n1421.5470 0.0000\n1432.0236 12.8947\n1442.6052 18.2916\n1455.3103 0.0000\n1490.0176 12.6131\n1490.4643 0.0002\n1508.9006 0.0000\n1524.0870 0.8053\n1526.7413 8.1783\n1533.0109 0.6594\n1535.6926 0.0000\n1538.4872 0.0000\n1544.6469 45.1328\n1551.5674 0.0000\n1560.2199 0.0000\n1563.2506 8.3391\n1637.2920 0.0010\n1637.3744 3.6525\n1661.4823 0.0000\n1661.5767 13.7293\n3061.1139 0.0000\n3064.3190 28.9218\n3065.5253 34.7946\n3071.0261 0.0000\n3125.2671 0.0031\n3129.4361 67.8436\n3129.6399 19.3001\n3132.8208 0.0006\n3138.7628 0.0015\n3144.3938 102.4641\n3146.4725 36.2561\n3149.1119 0.0064\n3178.9547 2.6111\n3179.0275 0.0000\n3187.6425 0.0000\n3187.7269 29.8515\n3203.8235 83.6551\n3204.0542 0.0001\n3220.6347 0.0000\n3221.4554 56.7242\n3222.9926 4.3365\n3223.4386 0.0028"
rotational.constants:"1.10586 GHz\n0.23910 GHz\n0.22825 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C1889674): 57 ms
reading 40 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
40 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