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__694731346640878__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__694731346640878__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R45984&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__694731346640878__","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":"694731346640878","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=R45984&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__694731346640878__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R45984)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R45984
The Resolver thinks Mol
NIST 07061510513D 1 1.00000 -2730.72886
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:"2015-07-06"
webbook.id:"R45984"
method:"B3LYP/6-31G*"
dipole.moment:"0.5529 debye"
electronic.energy:"-2730.72886044 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n10.3518 0.0611\n13.6404 0.0362\n17.3621 0.1086\n22.8118 0.0387\n25.2463 0.0706\n32.4283 0.0568\n33.9635 0.2550\n35.2557 0.1164\n36.2199 0.8002\n39.0818 0.2306\n44.1118 0.6115\n45.1348 0.0938\n49.5217 0.1838\n71.0883 0.6149\n87.9886 1.5807\n90.4591 0.6026\n95.1741 0.1078\n102.2104 0.2631\n107.3918 0.0135\n114.9139 0.0673\n125.9083 0.0112\n130.5358 0.0125\n131.3223 0.0033\n134.1727 0.0493\n138.4161 0.0559\n140.6445 0.0321\n141.4426 0.1123\n144.2925 0.0853\n145.2190 0.0093\n146.0805 0.0519\n147.1691 0.0045\n150.2765 0.2364\n150.9986 0.0639\n151.8422 0.1143\n154.0465 0.0683\n155.6733 0.1283\n158.3210 0.0358\n160.9580 0.0642\n167.2751 0.6188\n179.1404 0.5618\n188.1353 0.3446\n189.0384 0.0927\n190.4925 0.1438\n191.3726 0.3400\n192.8098 0.4421\n195.4373 0.4440\n199.6505 0.4355\n206.4944 1.1313\n208.1757 0.5487\n214.0273 0.0246\n223.4008 0.5199\n231.9934 0.6761\n235.9122 1.9291\n248.7034 0.9301\n258.1226 1.9224\n267.8120 3.6276\n270.7751 4.3446\n280.3560 8.1421\n282.2776 10.5867\n286.8960 22.8895\n297.6204 6.8206\n302.4514 17.2820\n308.9750 9.6085\n330.8562 12.8689\n338.0518 1.4739\n356.6036 6.8121\n384.8727 9.4899\n442.8290 23.3992\n482.9226 32.0943\n498.7432 3.5465\n564.3393 6.1965\n584.1379 7.9848\n595.4135 0.0679\n600.3505 1.6183\n609.0832 2.8241\n613.0961 6.1638\n621.9125 7.9247\n683.7987 5.7364\n684.3451 10.6307\n684.8947 6.9695\n685.4482 9.2579\n686.8439 7.0959\n692.6768 5.1876\n693.8510 1.7623\n694.7403 2.7520\n695.0420 6.8002\n695.4744 7.0339\n696.6946 10.8426\n697.6556 1.5362\n698.4826 1.5309\n699.8690 1.5402\n701.6310 0.4235\n702.5182 0.0130\n740.4951 24.2588\n773.9762 5.5993\n776.0928 9.7973\n776.1784 39.3289\n776.8946 4.4913\n780.9132 34.5786\n782.6977 25.2036\n784.0206 26.0173\n788.2111 13.7141\n788.9410 18.0989\n790.4221 10.9580\n792.6329 11.8871\n795.7729 54.3977\n811.6118 3.5252\n825.5136 7.5837\n868.9518 23.2655\n880.5240 44.9134\n881.9183 25.1498\n882.5588 15.6436\n884.5489 109.2597\n885.2454 94.4889\n887.2404 208.5599\n888.3223 134.0793\n888.7173 73.4498\n890.6729 114.0709\n893.0534 160.0666\n904.0512 92.2836\n905.5901 173.3706\n913.6396 174.0698\n921.1514 400.8110\n925.5154 461.0647\n937.0673 47.9632\n972.3767 60.0201\n1016.5324 103.3486\n1034.6170 403.4366\n1072.6579 160.1321\n1110.9088 295.7179\n1122.7014 45.8132\n1128.1142 225.2783\n1147.9566 201.2151\n1158.2095 400.8251\n1171.9175 110.4505\n1208.4843 63.0024\n1234.3271 10.8200\n1261.3821 10.5908\n1291.9679 18.4534\n1318.1565 1.0519\n1323.0220 31.7192\n1325.7697 22.0096\n1326.1876 16.3614\n1326.4183 55.4666\n1327.3375 14.2931\n1328.4594 35.6215\n1328.5415 19.4910\n1329.5019 35.0804\n1330.4421 38.7786\n1330.6057 40.8371\n1333.3700 36.7579\n1334.8692 38.9327\n1335.6530 46.4292\n1338.3561 57.9148\n1338.8270 16.4281\n1340.1673 14.4089\n1353.7226 26.9153\n1386.5597 14.3155\n1413.2348 23.8630\n1432.5186 7.1689\n1444.4988 20.0501\n1461.4338 19.1989\n1480.9583 0.3187\n1482.9425 0.2877\n1484.4201 0.6123\n1484.5850 0.9116\n1484.7021 0.1162\n1486.1350 0.3096\n1487.4187 0.6429\n1488.4244 1.5244\n1489.1336 0.2099\n1489.8086 0.3146\n1490.5700 0.3993\n1491.2531 0.3270\n1491.5318 2.6693\n1492.7409 0.6463\n1493.0392 1.3438\n1494.0374 0.7471\n1495.2115 1.7132\n1495.9330 3.3885\n1497.9380 1.6052\n1498.3462 4.1111\n1498.8700 1.4559\n1498.9960 1.2575\n1499.5304 1.6680\n1499.6952 4.8444\n1500.3080 1.0495\n1505.2260 10.6112\n1506.8048 8.7670\n1508.0968 7.1443\n1509.7196 11.9839\n1511.1506 11.0719\n1529.1051 9.7924\n1532.0110 9.1496\n3009.7737 18.2665\n3026.2153 37.4624\n3034.2998 22.4776\n3039.5550 4.1272\n3039.6074 3.9193\n3040.6890 3.1431\n3041.2226 6.7363\n3041.3217 2.0894\n3041.5736 5.4099\n3042.5101 5.2501\n3042.8192 6.9936\n3043.5367 6.0587\n3044.9916 3.0439\n3045.7984 17.7489\n3045.8572 17.8762\n3046.1251 4.8886\n3046.4169 2.2121\n3046.9115 3.4031\n3047.7844 11.9765\n3065.7375 18.0171\n3076.2577 48.4163\n3081.7211 45.7741\n3105.1978 10.8024\n3109.1197 5.0553\n3109.8425 0.6482\n3110.1355 9.4145\n3111.3515 31.9186\n3111.5614 5.6313\n3111.9202 26.6900\n3112.2073 25.1123\n3113.0315 5.8974\n3115.7395 11.0628\n3116.2374 27.1656\n3116.4224 30.3100\n3116.9507 24.0267\n3117.6766 12.7738\n3117.7874 23.1641\n3118.0662 7.1706\n3119.0052 36.6157\n3119.4114 28.5329\n3119.9981 19.9317\n3121.0102 13.4946\n3121.5863 15.0538\n3123.2540 16.4926\n3123.6985 27.5171\n3124.7171 7.5716\n3125.8971 8.5405\n3125.9572 14.4279\n3127.0350 17.3716\n3130.5985 9.7872\n3131.9900 11.7323\n3138.7586 6.9757"
rotational.constants:"0.13031 GHz\n0.07099 GHz\n0.05703 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=R45984): 115 ms
reading 84 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
84 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