Manzamenones	$E_{Model}^{high}$	$E_{Model}^{low}$	$E_{real}^{low}$	$E_{real}^{high}$	$E^{ONIOM2}$	$E_{r r}$
A	−1068.6054	−0.2091	−0.3671	−1068.7634	−1068.7633	0.0001
B	−1068.6054	−0.2091	−0.3671	−1068.7634	−1068.7633	0.0001
C	−1147.1472	−0.1035	−0.1943	−1147.2380	−1147.2380	0.0000
D	−1048.7187	−0.1155	−0.6369	−1048.4857	−1048.4858	0.0001
E	−1394.8377	−0.4473	−0.7949	−1395.1853	−1395.1853	0.0000
F	−1265.4073	−0.3979	−0.7308	−1265.7402	−1265.7402	0.0000
G	−1147.0794	−0.0349	−0.2284	−1147.2729	−1147.2729	0.0000
H	−1433.9104	−0.3238	−0.6699	−1434.2565	−1434.2565	0.0000
J	−1048.9075	−0.2894	−0.6225	−1049.2406	−1049.2407	−0.0001
K	−1030.6777	−0.4033	−0.7469	−1031.0213	−1031.0214	−0.0001
L	−1183.3285	−0.4091	−0.7565	−1183.6759	−1183.6759	0.0000
M	−1144.0296	−0.4285	−0.7671	−1144.3682	−1144.3683	−0.0001
N	−1108.1192	−0.3810	−0.7232	−1108.4614	−1108.4614	0.0000
O	−1414.6280	−0.4367	−0.9411	−1415.1324	−1415.1325	−0.0001