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__3838462228413646__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__3838462228413646__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=R181576&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__3838462228413646__","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":"3838462228413646","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=R181576&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__3838462228413646__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=R181576)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=R181576
The Resolver thinks Mol
NIST 07141514473D 1 1.00000 -2045.29517
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:"2015-07-14"
webbook.id:"R181576"
method:"B3LYP/6-31G*"
dipole.moment:"1.8119 debye"
electronic.energy:"-2045.29516702 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n10.4323 0.0194\n16.0186 0.1058\n25.5911 0.4994\n33.6369 0.3471\n37.3769 0.3918\n46.3952 0.1923\n56.7232 2.2800\n59.7926 1.3715\n74.4648 0.6024\n95.2660 0.7345\n101.6412 2.9129\n108.3151 5.8882\n112.6472 0.7627\n115.0461 0.0083\n123.6325 1.6625\n125.7888 0.0545\n139.2722 0.1137\n141.3444 0.3468\n142.6636 0.1101\n146.1596 0.0061\n151.7818 0.4250\n158.2368 0.5909\n170.8642 0.4607\n173.6362 1.1917\n176.4376 1.0092\n180.4925 0.0259\n187.7758 0.4127\n192.2731 0.6402\n197.2844 0.7754\n204.7158 0.6229\n210.7242 0.8357\n211.9203 0.4512\n223.8719 0.2840\n234.5820 2.1561\n245.2849 3.7513\n256.0241 1.2620\n260.9512 1.3453\n266.9537 9.0272\n274.9791 8.5063\n282.8706 4.5241\n305.0364 8.5454\n313.7897 0.8456\n315.3105 10.8243\n322.5885 3.7617\n330.9731 4.6682\n371.4363 0.5599\n414.9021 5.4336\n419.9072 5.9630\n438.5173 0.9014\n457.5817 1.4550\n467.6580 0.3580\n481.6411 1.1431\n502.6565 7.3518\n520.7872 0.5395\n530.3333 4.7190\n542.6224 1.1254\n560.0904 17.9651\n577.5866 7.0291\n597.6561 2.7337\n606.8471 10.6870\n615.5818 0.5864\n620.0285 7.9734\n626.6780 6.0805\n636.8526 3.8281\n677.5765 0.7279\n683.5155 8.0689\n683.9296 8.7253\n690.3181 8.1225\n696.5126 1.1224\n696.8671 0.0690\n697.6521 3.9856\n700.1760 10.2492\n708.4393 1.0316\n722.5472 7.7509\n727.1352 5.5657\n767.9499 10.6725\n776.2335 18.4752\n783.7400 21.4703\n785.6110 30.5600\n787.2119 11.8335\n789.9875 14.3475\n794.0563 7.3815\n807.4969 3.2658\n829.2325 1.6968\n860.5757 15.0755\n865.6046 2.7107\n874.4717 15.2160\n883.3863 76.3794\n885.2412 87.5831\n887.0655 86.2991\n887.5297 99.4954\n895.0509 50.3223\n908.9303 23.2582\n914.3607 419.2644\n919.6388 36.2670\n921.7496 154.7674\n929.6710 9.0837\n937.1403 10.8443\n961.7498 9.1269\n971.8930 119.7130\n977.8928 12.4003\n987.5793 19.2894\n994.2662 5.2644\n998.4956 5.0016\n1018.4046 17.3881\n1038.5939 51.4722\n1057.8466 60.8519\n1073.0625 7.6449\n1084.1003 229.3942\n1087.8361 71.7613\n1091.5639 212.3540\n1105.6903 64.1707\n1125.8161 12.0221\n1132.6065 15.0523\n1138.8639 9.9461\n1161.6864 89.3578\n1165.1033 104.0727\n1167.3046 307.7743\n1176.4647 3.0434\n1184.2392 104.3700\n1190.8330 10.1802\n1208.8106 10.2000\n1213.9511 45.2485\n1233.0921 8.9703\n1239.4718 69.2672\n1240.8936 68.8465\n1248.5097 20.3719\n1263.4058 13.8358\n1272.3587 4.8215\n1281.6971 39.1334\n1306.7873 36.7772\n1308.1840 27.7877\n1317.4040 0.2926\n1329.3773 30.8966\n1329.9535 39.1957\n1331.0329 40.5431\n1331.3439 45.5063\n1333.2905 22.3391\n1339.2577 69.7748\n1339.4918 3.8274\n1349.3068 7.6789\n1351.8145 3.0296\n1367.7192 29.3146\n1376.0215 13.0503\n1379.6688 19.3824\n1396.3235 15.9651\n1405.4398 6.6303\n1422.9631 33.4542\n1428.8388 40.0973\n1436.8029 5.1725\n1471.0922 2.9540\n1484.1695 0.5234\n1484.3192 0.4835\n1488.3748 0.7998\n1489.5568 0.2885\n1489.9887 0.9544\n1492.0481 0.1128\n1496.5055 2.4016\n1496.5281 2.8718\n1498.1435 4.9479\n1500.1058 4.3542\n1501.0017 3.3972\n1505.7467 8.0348\n1507.5384 13.6478\n1508.7248 6.5866\n1517.3312 1.5867\n1517.7924 6.7095\n1522.9725 10.7682\n1523.7985 10.1813\n1527.1316 12.1185\n1532.9264 2.8656\n1550.5294 3.9548\n1714.5114 2.4005\n1739.2178 6.3135\n1826.2261 184.7802\n1867.8209 317.5559\n2998.3941 26.3987\n3035.2916 11.5060\n3039.1455 3.9784\n3041.2800 9.1608\n3041.9368 5.4106\n3042.6047 4.5942\n3042.9381 3.9737\n3045.2156 6.2395\n3048.1631 3.1537\n3057.7890 31.5103\n3059.0038 18.3634\n3063.5999 42.7124\n3067.7080 16.9769\n3068.7814 23.9040\n3099.7074 11.8450\n3100.9339 3.9189\n3107.5536 7.4856\n3110.3774 9.2942\n3111.8372 32.6776\n3111.9725 6.9260\n3112.3729 8.0797\n3115.1211 15.9228\n3115.9745 45.4310\n3117.5178 7.2113\n3119.8205 14.6587\n3121.3020 26.0255\n3122.2070 8.0892\n3122.9186 14.1354\n3126.0920 33.1663\n3127.9265 22.3155\n3128.1712 21.0448\n3129.8233 16.3068\n3135.0789 23.7681\n3136.4261 3.0290\n3159.7651 7.1240\n3164.0362 10.0072\n3165.8931 20.7023\n3178.3264 6.7669\n3198.8891 23.3972\n3239.4066 14.5138"
rotational.constants:"0.24986 GHz\n0.05442 GHz\n0.05262 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Yvonne Niyonzima"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=R181576): 70 ms
reading 74 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
74 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