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__691959905199175__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__691959905199175__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R536040&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__691959905199175__","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":"691959905199175","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R536040&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__691959905199175__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R536040)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R536040
The Resolver thinks Mol
NIST 06121509473D 1 1.00000 -1075.83580
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:"2015-06-12"
webbook.id:"R536040"
method:"B3LYP/6-31G*"
dipole.moment:"1.9558 debye"
electronic.energy:"-1075.83579728 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n19.0571 1.1912\n23.3225 0.7067\n32.2274 1.0161\n35.7535 0.0649\n43.4017 1.5411\n48.2207 0.4989\n63.8179 0.4795\n70.0572 0.1811\n85.1165 0.2926\n102.4294 2.3076\n131.1828 1.0044\n167.6233 1.3950\n180.3090 0.3056\n203.2477 2.3334\n219.4153 2.0805\n230.5870 0.1239\n245.2738 1.6480\n257.4422 1.2642\n278.2993 0.5277\n308.5156 0.1397\n329.7992 7.8207\n351.6257 0.5944\n377.3272 1.0090\n388.1204 10.8539\n398.1587 0.8600\n418.2372 0.1390\n423.7005 5.2716\n430.4282 2.5705\n447.0497 3.1078\n466.9966 12.9371\n497.1832 0.8479\n514.6790 3.2501\n522.0960 5.6817\n560.4711 7.8863\n591.3724 4.7647\n593.2461 1.6490\n633.7880 0.2573\n641.1199 2.2444\n655.9568 2.8661\n677.4945 0.6074\n712.3987 15.6149\n736.9683 13.3733\n744.2973 0.7937\n761.4587 36.5835\n783.1832 19.5224\n813.9157 3.8187\n821.4738 2.2010\n826.0697 2.1450\n828.4253 2.5750\n851.7596 36.4649\n864.4557 0.3076\n882.5357 4.8410\n920.2456 2.4199\n926.8444 19.9880\n938.6685 3.4000\n945.1519 0.4122\n950.9100 6.5084\n969.9554 1.2907\n975.5785 19.8923\n995.9871 0.8885\n1000.6016 2.0428\n1016.7481 17.3812\n1018.5415 9.7702\n1026.8406 23.5234\n1035.0447 63.6004\n1044.6133 18.6695\n1057.3732 9.4771\n1073.4023 6.8830\n1075.9325 6.9164\n1093.8184 15.2535\n1109.0338 26.7054\n1122.3794 17.6699\n1129.2067 19.6401\n1143.2552 7.3440\n1168.5337 20.4424\n1178.0240 27.8275\n1191.4127 15.1703\n1191.8685 0.7400\n1194.1119 37.4880\n1206.5147 17.2966\n1208.4543 6.8796\n1227.1659 8.9442\n1236.8782 1.5869\n1243.9653 643.4526\n1252.5042 364.5565\n1278.2155 14.4833\n1300.4129 21.7984\n1315.5615 18.1839\n1321.3800 29.1559\n1332.5962 1.2441\n1340.0680 9.2286\n1347.8838 0.5833\n1350.3988 5.9894\n1361.8044 6.3443\n1365.6394 7.1132\n1390.1836 27.0730\n1396.2499 3.7945\n1400.7404 5.7714\n1409.4473 57.8823\n1422.3710 57.7803\n1433.1173 50.7930\n1466.6144 2.5845\n1475.2432 5.6857\n1485.2010 0.1520\n1500.3835 13.3332\n1502.4592 13.2315\n1504.8168 7.9649\n1506.0569 2.6473\n1516.7351 13.6885\n1522.1609 2.0961\n1523.9043 2.0008\n1530.3198 6.3613\n1538.2756 2.8617\n1542.7877 14.2187\n1546.7242 9.5331\n1561.5386 226.0126\n1631.9651 2.1041\n1646.1528 1.4555\n1665.1191 6.3449\n1668.5059 17.2955\n1845.8411 202.4885\n2883.6905 25.8421\n2893.0459 93.7311\n2936.2964 137.0698\n2960.1444 55.8698\n3024.7240 17.7978\n3056.6215 23.7891\n3063.8997 16.0587\n3071.8223 2.6218\n3072.0232 59.6478\n3072.6045 23.5556\n3072.8889 27.5869\n3077.9922 50.4751\n3105.1094 33.2483\n3118.9377 32.2925\n3127.5265 22.9852\n3133.9722 5.7429\n3167.8541 10.0170\n3181.7794 0.1722\n3183.6855 9.1286\n3192.1876 24.3981\n3204.3441 36.8449\n3207.5571 9.0020\n3211.7933 10.9967\n3232.0057 10.7287\n3235.6726 10.9115\n3247.2630 4.1901"
rotational.constants:"0.20426 GHz\n0.14889 GHz\n0.09491 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Sarah Wollman"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R536040): 108 ms
reading 51 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
51 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