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__9757671413903726__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__9757671413903726__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=R102786&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__9757671413903726__","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":"9757671413903726","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=R102786&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__9757671413903726__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=R102786)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=R102786
The Resolver thinks Mol
NIST 07181505173D 1 1.00000 -1341.74568
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:"2015-07-18"
webbook.id:"R102786"
method:"B3LYP/6-31G*"
dipole.moment:"1.8833 debye"
electronic.energy:"-1341.74568449 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n7.5141 0.0027\n15.5617 0.0288\n16.7404 0.2585\n22.8230 0.1268\n24.0229 0.0689\n27.9667 0.0503\n33.0147 0.0192\n39.4421 0.1388\n48.4579 0.2047\n55.5446 0.1498\n65.6604 1.0994\n77.0276 0.7131\n84.1540 0.2243\n88.3824 0.0256\n98.7915 0.2130\n108.1549 0.2435\n112.9846 0.3815\n127.0663 0.8358\n129.4240 0.2313\n137.8284 0.0363\n141.5058 0.6712\n151.8470 0.0033\n152.5841 0.1095\n158.2855 0.0970\n177.2680 0.1484\n187.7423 0.9336\n195.2173 0.0427\n195.7742 0.1163\n210.1705 1.1235\n217.5814 0.4765\n224.4047 2.6095\n244.7424 12.3475\n248.9497 0.2826\n268.7132 0.3676\n279.0193 6.9620\n279.8064 7.2751\n284.2955 0.7252\n295.4102 0.9404\n313.2900 4.4605\n373.9394 1.2732\n402.9428 0.5991\n422.7853 0.9999\n457.0151 0.2622\n476.7865 1.3767\n493.7866 1.2906\n509.4214 3.5887\n574.7134 2.8836\n598.8067 6.4590\n604.2584 1.2000\n615.6840 1.9222\n628.3732 9.8875\n680.6348 35.2888\n691.7693 9.1266\n701.1389 6.2652\n703.2122 9.7310\n711.7889 0.2058\n715.4312 31.9143\n719.4815 5.6144\n738.5515 5.5633\n742.4201 64.3573\n744.9507 0.3762\n751.8919 3.5102\n776.2219 0.4924\n792.7297 22.5974\n793.8432 22.9968\n838.9603 4.9069\n840.2613 4.1509\n857.0293 1.6849\n891.6944 65.1786\n895.9388 112.1443\n901.7142 295.7340\n920.1478 2.3139\n938.9818 0.8418\n945.3893 78.5115\n946.1085 36.2377\n949.5457 5.5402\n961.2938 2.2628\n966.8184 1.6271\n981.8063 0.9187\n1001.4272 0.8670\n1007.8829 2.3696\n1014.0238 2.7719\n1014.8769 0.7807\n1017.3101 0.5915\n1022.3328 2.5738\n1024.7717 4.7656\n1046.1298 3.8283\n1055.5627 3.2338\n1059.0328 13.1650\n1072.5579 2.2469\n1075.5789 0.7720\n1076.4839 0.8555\n1094.9061 4.1334\n1116.7919 4.8703\n1127.6708 2.9030\n1145.7369 2.5642\n1156.2486 0.9615\n1179.7855 0.6119\n1210.1585 388.3675\n1230.6760 1.6838\n1237.1830 10.8656\n1249.2964 25.5533\n1251.4687 4.8143\n1251.6390 33.9363\n1278.0558 0.5139\n1286.9375 5.2186\n1294.8298 27.3263\n1297.0969 49.4233\n1305.8833 3.9803\n1317.5474 5.1525\n1319.1364 29.6936\n1327.7601 45.1253\n1329.4899 1.4756\n1329.8284 38.4463\n1337.2156 4.7638\n1339.0379 30.1340\n1339.1950 0.3940\n1344.5332 21.7254\n1347.9678 20.8808\n1350.9098 3.7991\n1352.4139 2.1669\n1352.9902 8.8962\n1374.8485 1.3485\n1383.7133 54.6844\n1412.2277 28.3109\n1422.7606 5.0132\n1425.3924 4.9085\n1430.8137 27.4695\n1440.6082 0.8816\n1450.1926 6.2447\n1454.6176 9.5470\n1458.7343 7.8501\n1482.3751 0.0205\n1488.7816 13.5201\n1491.7624 0.0219\n1492.4797 0.8249\n1492.8864 0.5635\n1494.1481 7.1768\n1500.1926 1.1075\n1500.4996 1.6563\n1508.4011 0.7304\n1511.1445 12.5632\n1511.3732 6.1752\n1513.7634 2.5320\n1514.2340 1.1872\n1517.4924 3.1288\n1520.9164 2.0334\n1523.7059 0.6889\n1529.4631 6.0713\n1532.7844 0.5526\n1538.8177 3.0282\n1542.6762 3.9180\n1738.7563 0.1204\n1745.1443 0.5493\n1748.7912 1.0349\n1797.6452 176.9186\n2974.4912 28.6794\n2980.5716 31.9063\n3004.4185 18.9530\n3009.9549 0.8512\n3010.3294 17.0858\n3012.6209 8.7303\n3019.3425 12.7713\n3021.2014 30.6593\n3027.4753 80.9794\n3032.0384 28.7940\n3032.6474 11.2221\n3038.4774 4.5799\n3039.4996 37.4413\n3039.5262 9.2149\n3045.9658 2.0300\n3046.8599 4.9892\n3048.5956 15.5948\n3048.9275 7.0596\n3053.0007 44.0937\n3056.5508 3.9965\n3067.5264 36.3710\n3071.3797 16.2573\n3071.8872 8.0927\n3078.4251 50.9452\n3082.2767 69.2902\n3097.4011 71.3409\n3101.4045 14.8776\n3104.0709 76.9970\n3110.9874 31.9465\n3111.1356 14.8575\n3113.8889 5.3202\n3114.2990 8.2626\n3118.6722 29.8080\n3119.6447 16.6593\n3122.8648 13.5825\n3125.5602 13.7446\n3129.6894 1.3826\n3142.8862 3.9302\n3144.3387 29.4783\n3145.2052 8.2322\n3146.9498 62.5253\n3154.2412 85.0153"
rotational.constants:"0.29927 GHz\n0.04373 GHz\n0.04023 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=R102786): 383 ms
reading 68 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
68 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 9 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10