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__4744811479442514__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__4744811479442514__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C556718&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__4744811479442514__","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":"4744811479442514","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C556718&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__4744811479442514__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C556718)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C556718
The Resolver thinks Mol
NIST 07301511593D 1 1.00000 -4002.05267
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:"2015-07-30"
cas.number:"556-71-8"
method:"B3LYP/6-31G*"
dipole.moment:"1.0425 debye"
electronic.energy:"-4002.05267042 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n16.9001 0.1088\n17.3527 0.0436\n21.2147 0.0331\n22.6969 0.0575\n24.5234 0.2064\n25.8049 0.0415\n27.0731 0.0514\n30.8716 0.0585\n32.5058 1.0429\n35.0670 0.2562\n37.2206 0.4169\n38.4267 0.5510\n39.8056 0.4639\n41.7029 0.5239\n43.9369 0.4072\n44.7117 0.3129\n49.8028 0.3738\n56.7218 0.8855\n59.7040 0.0140\n60.1425 1.0659\n64.5376 1.6582\n127.0580 0.1741\n134.0003 0.1446\n141.2577 0.1016\n142.7628 0.0130\n143.9224 0.0145\n145.3221 0.0693\n146.2390 0.0492\n147.1478 0.1790\n147.7735 0.0762\n148.4174 0.0074\n149.9162 0.0324\n150.9150 0.0961\n155.1070 0.0181\n156.6072 0.0163\n158.0422 0.0225\n158.8972 0.0561\n159.7744 0.0085\n161.8622 0.0286\n163.3524 0.0509\n165.5375 0.0231\n166.0291 0.0416\n167.8403 0.1427\n169.7101 0.0618\n175.9282 0.0497\n178.7604 0.0174\n180.2653 0.0694\n181.4036 0.0537\n182.2080 0.0153\n182.5093 0.0544\n183.0419 0.0356\n185.2296 0.2132\n187.2081 0.2066\n187.9332 0.0985\n188.5258 0.2145\n193.3357 0.4500\n202.2625 0.0878\n203.5474 0.3239\n211.5938 0.2823\n217.0635 0.7965\n221.5063 0.3985\n223.3084 0.5698\n230.2087 0.9209\n242.0377 4.1705\n247.8708 6.3654\n249.1092 9.0456\n257.8612 1.8561\n262.5858 1.9794\n269.1483 2.1891\n275.1458 5.0012\n293.9188 12.4526\n300.3714 49.5794\n304.9469 3.7617\n307.6510 3.7340\n314.2405 14.9893\n329.4051 17.0510\n338.1321 11.1366\n343.6847 40.6829\n349.6223 36.1990\n354.8744 46.1673\n371.2325 53.6428\n374.5491 46.1811\n386.6665 85.8079\n387.8736 121.5814\n457.2488 0.9918\n473.4315 19.3833\n484.0307 18.1170\n511.8564 3.5949\n513.4489 10.5152\n562.6454 8.2637\n566.1743 9.6797\n611.4646 0.6651\n613.0731 11.0418\n655.4693 3.9943\n656.8605 24.6917\n677.5124 6.8639\n679.0367 13.2957\n691.5506 1.4639\n693.5257 19.0447\n694.8963 22.0634\n696.0665 14.0837\n697.2833 33.0892\n697.9950 1.7887\n698.3461 2.9171\n698.8529 10.1270\n699.6061 3.3239\n699.9942 3.4840\n700.3578 17.8226\n702.8858 47.2413\n705.0617 29.7651\n708.6424 8.3938\n773.1802 0.2014\n775.8723 0.5658\n776.2171 0.6992\n776.7459 0.3828\n777.5410 0.6316\n779.0879 0.1661\n780.5017 0.4048\n780.6141 0.0544\n782.0483 2.5904\n807.1357 5.1712\n810.0503 23.4457\n810.8787 65.6461\n814.2761 66.8160\n816.6241 51.2889\n819.5629 97.2057\n821.0774 73.2491\n827.1971 84.1889\n829.2717 117.5027\n831.7156 0.9077\n846.8547 464.1626\n847.6295 692.0049\n858.4805 55.0999\n859.2532 158.5852\n865.1406 48.3334\n866.1157 119.5001\n869.1317 48.6764\n869.7069 177.8369\n899.2028 52.2004\n901.9960 42.8966\n903.4269 73.0350\n904.6100 44.7907\n905.0652 30.0683\n906.1432 50.1691\n909.8930 11.4979\n914.3475 12.4155\n917.2865 2.7231\n1017.0672 8.7008\n1055.4843 1442.7613\n1064.0636 1896.2434\n1092.1449 71.6333\n1097.8188 583.8195\n1104.1370 85.3310\n1109.3185 1123.0753\n1113.8360 518.1697\n1125.6907 727.0967\n1331.5473 18.8190\n1331.9036 21.2214\n1332.1817 7.8884\n1332.6265 52.4846\n1332.8563 10.2600\n1333.2442 6.2561\n1334.5623 13.9736\n1334.9304 16.1464\n1335.7739 112.9826\n1336.7164 50.6903\n1337.0772 108.6267\n1337.8455 12.4104\n1337.9531 197.3506\n1339.2674 72.7864\n1341.0158 30.3707\n1341.6843 26.7440\n1343.2161 8.2043\n1343.5474 12.1979\n1483.7304 2.0544\n1484.6267 1.8319\n1486.0151 3.2000\n1486.2895 2.3011\n1486.7906 2.0117\n1487.3546 0.9397\n1488.2152 1.5158\n1488.8046 0.1851\n1489.4108 0.5050\n1489.7343 0.0371\n1490.0657 0.4405\n1490.9646 0.3359\n1491.4557 0.0787\n1492.0870 0.2714\n1492.7292 1.4063\n1493.1897 0.1701\n1493.5122 3.1093\n1494.0140 0.1227\n1495.1484 2.8301\n1495.7657 1.4798\n1496.3708 1.2897\n1497.0119 1.1792\n1497.8502 5.6939\n1498.0639 9.2973\n1499.0061 6.1553\n1499.2974 1.4313\n1500.2600 6.8428\n1501.4078 0.4455\n1501.8857 10.8750\n1502.4879 2.0394\n1503.5207 3.8073\n1504.1936 4.6557\n1504.9138 2.4196\n1505.0356 26.2188\n1506.2352 4.8818\n1508.2053 1.7484\n3043.1139 2.9420\n3043.2635 1.2636\n3043.5875 0.3910\n3043.9382 1.2385\n3043.9725 2.2596\n3044.2871 7.3095\n3044.8798 7.4777\n3045.0284 2.9468\n3045.4488 8.8022\n3045.5616 2.7242\n3046.2000 4.4277\n3046.7182 1.9510\n3046.9926 1.7877\n3047.1737 8.0465\n3047.7395 7.5982\n3047.9146 1.6499\n3047.9437 0.5465\n3048.4829 7.5015\n3111.5420 10.0659\n3113.7028 12.3944\n3114.2398 6.4609\n3115.4982 4.5008\n3115.8324 12.7878\n3116.6880 11.6464\n3116.8622 2.1719\n3117.3168 2.9566\n3117.4023 34.4993\n3117.4380 9.9853\n3117.7213 34.6774\n3118.1177 2.7378\n3118.3447 1.5633\n3118.5788 20.2730\n3118.9437 31.6149\n3119.4914 32.7557\n3119.8807 5.6460\n3120.2504 20.5167\n3120.5917 20.9354\n3121.0287 28.3285\n3121.1263 13.9773\n3121.2227 20.5569\n3121.4312 24.0023\n3121.7063 15.8413\n3121.7932 14.5109\n3122.3465 22.7922\n3122.4843 28.0000\n3123.9738 14.4733\n3124.7685 13.1835\n3126.5387 15.4378\n3128.1994 12.6011\n3128.4324 18.6510\n3128.8780 11.0328\n3134.4687 3.0878\n3135.0156 0.6543\n3135.4003 6.9123"
rotational.constants:"0.08221 GHz\n0.06351 GHz\n0.04816 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Avi Newman"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C556718): 220 ms
reading 90 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
90 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