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(C) 2015 Jmol Development
Jmol Version: 16.1.63 2024-03-04 14:40
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FileManager.getAtomSetCollectionFromFile(https://stereoelectronics.org/struct_files/SN2_rxn.xyz)
FileManager opening url https://stereoelectronics.org/struct_files/SN2_rxn.xyz
The Resolver thinks Xyz
FINAL HEAT OF FORMATION = -49.3851 KCAL
FINAL HEAT OF FORMATION = -49.65025 KCAL
FINAL HEAT OF FORMATION = -50.40951 KCAL
FINAL HEAT OF FORMATION = -51.36935 KCAL
FINAL HEAT OF FORMATION = -52.31620 KCAL
FINAL HEAT OF FORMATION = -52.50770 KCAL
FINAL HEAT OF FORMATION = -52.46067 KCAL
FINAL HEAT OF FORMATION = -52.31758 KCAL
FINAL HEAT OF FORMATION = -52.7980 KCAL
FINAL HEAT OF FORMATION = -51.28290 KCAL
FINAL HEAT OF FORMATION = -50.1106 KCAL
FINAL HEAT OF FORMATION = -48.24934 KCAL
FINAL HEAT OF FORMATION = -46.8198 KCAL
FINAL HEAT OF FORMATION = -43.78515 KCAL
FINAL HEAT OF FORMATION = -43.25017 KCAL
FINAL HEAT OF FORMATION = -42.75362 KCAL
FINAL HEAT OF FORMATION = -42.30916 KCAL
FINAL HEAT OF FORMATION = -41.93371 KCAL
FINAL HEAT OF FORMATION = -41.64305 KCAL
FINAL HEAT OF FORMATION = -41.46914 KCAL
FINAL HEAT OF FORMATION = -41.62762 KCAL
FINAL HEAT OF FORMATION = -42.18643 KCAL
FINAL HEAT OF FORMATION = -42.99093 KCAL
FINAL HEAT OF FORMATION = -43.83548 KCAL
FINAL HEAT OF FORMATION = -44.64693 KCAL
FINAL HEAT OF FORMATION = -45.38053 KCAL
FINAL HEAT OF FORMATION = -45.99914 KCAL
FINAL HEAT OF FORMATION = -46.46767 KCAL
FINAL HEAT OF FORMATION = -46.75063 KCAL
FINAL HEAT OF FORMATION = -46.60937 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
Time for openFile(https://stereoelectronics.org/struct_files/SN2_rxn.xyz): 126 ms
reading 294 atoms
ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
49 models in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
Default Van der Waals type for model set to Babel
294 atoms created
ModelSet: autobonding; use autobond=false to not generate bonds automatically
Time for creating model: 19 ms
FINAL HEAT OF FORMATION = -49.3851 KCAL
FINAL HEAT OF FORMATION = -49.65025 KCAL
FINAL HEAT OF FORMATION = -50.40951 KCAL
FINAL HEAT OF FORMATION = -51.36935 KCAL
FINAL HEAT OF FORMATION = -52.31620 KCAL
FINAL HEAT OF FORMATION = -52.50770 KCAL
FINAL HEAT OF FORMATION = -52.46067 KCAL
FINAL HEAT OF FORMATION = -52.31758 KCAL
FINAL HEAT OF FORMATION = -52.7980 KCAL
FINAL HEAT OF FORMATION = -51.28290 KCAL
FINAL HEAT OF FORMATION = -50.1106 KCAL
FINAL HEAT OF FORMATION = -48.24934 KCAL
FINAL HEAT OF FORMATION = -46.8198 KCAL
FINAL HEAT OF FORMATION = -43.78515 KCAL
FINAL HEAT OF FORMATION = -43.25017 KCAL
FINAL HEAT OF FORMATION = -42.75362 KCAL
FINAL HEAT OF FORMATION = -42.30916 KCAL
FINAL HEAT OF FORMATION = -41.93371 KCAL
FINAL HEAT OF FORMATION = -41.64305 KCAL
FINAL HEAT OF FORMATION = -41.46914 KCAL
FINAL HEAT OF FORMATION = -41.62762 KCAL
FINAL HEAT OF FORMATION = -42.18643 KCAL
FINAL HEAT OF FORMATION = -42.99093 KCAL
FINAL HEAT OF FORMATION = -43.83548 KCAL
FINAL HEAT OF FORMATION = -44.64693 KCAL
FINAL HEAT OF FORMATION = -45.38053 KCAL
FINAL HEAT OF FORMATION = -45.99914 KCAL
FINAL HEAT OF FORMATION = -46.46767 KCAL
FINAL HEAT OF FORMATION = -46.75063 KCAL
FINAL HEAT OF FORMATION = -46.60937 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
FINAL HEAT OF FORMATION = -45.24955 KCAL
49 models
spinFPS = 45.0
spinY = 45.0
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