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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jul-2023	mechanism1_INT3	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-1898.24934705; Eh
	21-Feb-2023	/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-P-trs-M-cis-CHCl3t-to-M-cis_M06-2X_6-31plGd_chloroformSMD_o	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	6-31+G(D)	-4414.43794515; Eh
	21-Feb-2023	/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-P-trs-M-cis-CHCl3t-to-P-trs_M06-2X_6-31plGd_optII_freq	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	6-31+G(D)	-4414.43773037; Eh
	21-Feb-2023	/M06-2X_6-31+Gd_optimisation_frequencies/no_guest Eq-o-M-cis-M-cis_eqax_M06-2X_6-31plGd_chloroformSMD_optimisation	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	6-31+G(D)	-2995.24971198; Eh
	21-Feb-2023	/M06-2X_6-31+Gd_optimisation_frequencies/no_guest Ax-i-P-cis-P-cis_M06-2X_6-31plGd_chloroformSMD_optimisation_freq	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	6-31+G(D)	-2995.25481993; Eh
	21-Feb-2023	/M06-2X_6-31+Gd_optimisation_frequencies/no_guest Eq-o-P-cis-P-cis_M06-2X_6-31plGd_chloroformSMD_frequencies	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	6-31+G(D)	-2995.24615476; Eh
	27-Jul-2023	mechanism2_INT4	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-2394.33039141; Eh
	27-Jul-2023	mechanism2_TS1	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	DEF2SVP	-2394.74465236; Eh
	27-Jul-2023	mechanism1_TS2	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	DEF2SVP	-1898.24586762; Eh
	27-Jul-2023	mechanism2_TS2	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X	DEF2SVP	-2394.77121532; Eh

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