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		- ROOT
- Chloroform
- mPW1PW91_6-31+G(d,p)
 
 - Other_trials
- Figure_S11
 - Figure_S9
 
 - Other_trials_G16
- Figure_S11
 - Figure_S9
 
 - Theozyme
 - Theozyme_G16
 - Water
- B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p)
 - B3LYP-D3(BJ)_6311+G(d,p)
 - M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p)
 - mPW1PW91_6-31+G(d,p)
 - mPW1PW91_6-311+G(d,p)__mPW1PW91_6-31+G(d,p)
 
 
- Chloroform
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	    Program name
	    
- 115 Gaussian
	    Calculation type
	    
 
 

