Modified Reaction Path IRC point on left side of transition state (data from JSmol path)
(Click on "Charges" to display the partial atomic charges)
Date:
Feb 24 2018 11:38
No. atoms:
24
Formula:
C
9
H
13
NO
Net charge:
Zero
Heat of Formation:
22.180 Kcal/mol
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Common Script
(Read file from:
"
common.txt
")
Specific Script
(Read file from:
"
Modified reaction path 1SCF on left side of transition state.txt
")
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