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Title	Author(s)	Program	Method(s)	Basis Set	Energy
captan_CONF6_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2332.0896325; Eh
chinomethionat_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1366.0767892; Eh
chinomethionat_CONF2_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1366.0767895; Eh
chinomethionat_CONF1_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1366.0869246; Eh
chinomethionat_CONF2_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1366.0869213; Eh
chinomethionat_CONF1_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1366.0861327; Eh
chinomethionat_CONF2_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1366.0861322; Eh
chlorothalonil_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2255.3646182; Eh
chlorothalonil_CONF1_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2255.3751339; Eh
chlorothalonil_CONF1_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2255.3685079; Eh
dichlofluanid_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5007402; Eh
dichlofluanid_CONF34_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5003724; Eh
dichlofluanid_CONF38_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5003721; Eh
dichlofluanid_CONF5_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5000665; Eh
dichlofluanid_CONF82_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5003744; Eh
dichlofluanid_CONF1_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5188589; Eh
dichlofluanid_CONF34_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5180106; Eh
dichlofluanid_CONF40_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5162182; Eh
dichlofluanid_CONF45_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5174135; Eh
dichlofluanid_CONF5_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5183266; Eh
dichlofluanid_CONF1_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5139473; Eh
dichlofluanid_CONF34_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5131798; Eh
dichlofluanid_CONF38_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5131801; Eh
dichlofluanid_CONF45_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5127617; Eh
dichlofluanid_CONF5_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2426.5136272; Eh