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__034503136011826__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__034503136011826__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R440667&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__034503136011826__","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":"034503136011826","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R440667&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__034503136011826__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R440667)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R440667
The Resolver thinks Mol
NIST 07291512383D 1 1.00000 -2691.42872
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:"2015-07-29"
webbook.id:"R440667"
method:"B3LYP/6-31G*"
dipole.moment:"2.3142 debye"
electronic.energy:"-2691.42872056 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n14.4936 0.1381\n16.9926 0.0408\n18.8257 0.0495\n23.8887 0.0399\n25.5424 0.2513\n29.7325 0.0484\n31.1418 0.3261\n33.0210 0.0229\n34.4987 0.3714\n39.5824 0.3626\n46.3513 0.1556\n51.3366 0.3219\n62.5770 0.5986\n71.3286 0.3440\n81.1234 0.4285\n99.1245 0.1906\n103.9390 0.2579\n118.0809 0.1766\n123.8237 0.1480\n124.5981 0.1395\n132.0840 0.0676\n132.4215 0.3283\n133.0097 0.0561\n138.5158 0.0792\n140.4515 0.0408\n142.5780 0.1417\n144.4061 0.2696\n148.1726 0.0396\n150.4483 0.0075\n151.4418 0.1009\n152.7184 0.0422\n155.9598 0.1201\n157.4105 0.1531\n159.8529 0.1371\n163.5146 0.0703\n164.3500 0.0587\n167.3544 0.0097\n168.1431 0.2959\n171.3665 0.0562\n180.6029 0.0854\n185.6701 0.4512\n192.7928 0.5060\n193.5033 0.1768\n194.7491 0.3469\n200.4493 1.1895\n204.6326 0.3774\n207.4779 0.8503\n218.3254 0.3501\n219.1877 0.5757\n228.4342 0.2215\n234.5146 0.3092\n236.5245 0.6878\n245.0575 0.6894\n254.3459 4.4636\n265.7527 3.8756\n286.5989 10.0248\n288.4956 4.0378\n291.1734 6.1615\n296.9629 16.1105\n302.6462 8.2184\n313.7132 14.4778\n327.2761 8.9674\n378.9768 4.2147\n416.9210 2.1204\n434.6757 34.3770\n447.4634 12.7943\n468.6415 35.9157\n510.4030 23.7306\n565.3253 8.9464\n582.9653 2.5934\n591.9089 1.1045\n601.5223 0.1724\n605.9219 3.0724\n622.8621 6.3698\n639.8541 20.6285\n682.2576 7.3720\n683.7127 7.4023\n684.6163 7.6498\n685.0317 8.8895\n690.6000 5.1218\n691.3812 6.8752\n692.1468 7.3008\n694.4151 6.2082\n695.3960 4.1083\n695.6435 0.4857\n697.4037 0.3447\n697.5566 3.1476\n698.2178 1.6462\n699.6147 0.5213\n701.4802 1.1147\n732.1019 13.8709\n758.1132 35.5564\n773.9835 19.5203\n776.1718 22.2491\n779.7291 16.4275\n780.3404 22.6159\n783.7446 8.5340\n786.3241 22.1814\n787.9863 10.4432\n790.0366 22.9618\n790.7767 34.1093\n792.4361 26.9402\n793.9851 4.3624\n813.0170 10.4374\n845.9035 9.7022\n876.3074 21.1360\n880.7087 8.8689\n881.9462 78.4958\n883.6448 77.4002\n884.4357 60.7732\n885.0088 15.4332\n887.0390 44.8646\n888.3048 251.8607\n888.8549 163.9689\n890.4733 243.5176\n892.1683 36.0708\n899.1683 54.7350\n907.8753 275.3848\n918.7420 150.9128\n922.2859 679.0878\n933.6125 205.9572\n962.2403 39.8781\n968.5301 188.1295\n994.5133 364.7829\n1041.3203 182.0101\n1093.8686 126.8558\n1110.1136 446.1937\n1124.3172 209.2334\n1148.4803 217.2256\n1159.4959 94.7536\n1177.2266 271.7666\n1194.3888 213.3189\n1283.0013 27.7260\n1314.2005 4.0069\n1322.1811 34.3938\n1324.2977 22.8596\n1325.2028 36.7272\n1325.5465 33.6373\n1327.0684 2.5373\n1327.3037 51.5757\n1328.0869 28.5339\n1330.2687 37.3266\n1331.1179 38.9007\n1332.4015 13.1231\n1332.8776 43.4470\n1335.4515 57.8146\n1336.6278 39.8071\n1338.4715 32.9686\n1340.6922 19.9913\n1350.7605 10.5179\n1366.2740 13.3872\n1370.8351 4.8282\n1393.0008 34.2534\n1411.9604 22.2183\n1423.7190 4.5782\n1432.9170 24.3075\n1457.3980 18.8937\n1483.0012 0.1400\n1483.7939 0.5263\n1483.9643 0.0452\n1484.6699 0.5262\n1485.1463 0.0130\n1486.5419 0.2907\n1487.3646 1.7039\n1489.0257 0.3204\n1489.1539 0.0416\n1489.8168 0.7866\n1490.2134 0.3763\n1491.1087 1.0716\n1492.7222 1.6429\n1493.1806 1.1922\n1494.0399 0.5768\n1495.3049 1.3807\n1496.1477 0.8968\n1496.8318 3.2117\n1497.2514 2.7523\n1498.2355 2.7199\n1499.0403 3.6279\n1499.2550 2.0876\n1499.7079 1.4791\n1500.2347 2.5556\n1501.2691 1.9354\n1506.7663 20.0469\n1507.9635 13.4767\n1508.7034 14.6608\n1510.3751 5.6820\n1513.4806 7.1504\n3024.1901 30.8899\n3036.3482 4.9551\n3038.8397 3.7040\n3039.4249 4.4408\n3039.9587 4.2478\n3041.3105 0.8664\n3043.1244 5.6206\n3043.4718 1.7526\n3043.9786 3.5772\n3044.1843 6.5460\n3044.2067 5.3205\n3046.0665 9.6763\n3046.6730 4.5697\n3046.8613 9.6216\n3047.1258 16.6361\n3047.2818 0.9784\n3048.0308 24.1822\n3054.8536 47.4950\n3064.9404 2.8054\n3078.4355 35.2024\n3104.0971 11.0916\n3107.2653 9.8464\n3107.8014 5.8490\n3108.6172 0.7147\n3109.2900 29.5578\n3110.2073 9.7607\n3111.2246 50.3477\n3111.7465 12.7003\n3112.3630 3.0795\n3113.2644 39.6445\n3113.7866 9.3043\n3114.6063 9.3743\n3116.0210 13.7004\n3116.3827 48.5218\n3116.3934 1.3567\n3117.1589 6.8323\n3118.0110 18.1290\n3118.6340 34.7398\n3119.2987 17.7258\n3119.5983 28.3009\n3124.1305 11.8198\n3124.6408 31.6521\n3125.3763 13.4941\n3126.1588 11.3418\n3126.2877 12.4721\n3127.3807 3.3145\n3135.5687 7.4744\n3135.7952 11.0268\n3141.8125 11.9082\n3144.0288 11.7982"
rotational.constants:"0.10377 GHz\n0.09090 GHz\n0.07654 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R440667): 124 ms
reading 81 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
81 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 10 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10