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system name	optimization level	Hide CCSD /CBS CPCCSD /CBS CP	Hide CCSD(T) /CBS(aDZ) CPCCSD(T) /CBS(aDZ) CP	Hide CCSD(T) /CBS(haD->TZ) CPCCSD(T) /CBS(haD->TZ) CP	Hide CCSD(T) /CBS(haTZ) CPCCSD(T) /CBS(haTZ) CP	Hide DW-MP2 /CBS CPDW-MP2 /CBS CP	Hide MP2 /aug-cc-pVDZ CPMP2 /aug-cc-pVDZ CP	Hide MP2 /CBS CPMP2 /CBS CP	Hide MP2 /cc-pVTZ CPMP2 /cc-pVTZ CP	Hide MP2.5 /CBS CPMP2.5 /CBS CP	Hide MP2C /CBS CPMP2C /CBS CP	Hide MP3 /CBS CPMP3 /CBS CP	Hide SCS-CCSD /CBS CPSCS-CCSD /CBS CP	Hide SCS-MI-CCSD /CBS CPSCS-MI-CCSD /CBS CP	Hide SCS-MI-MP2 /CBS CPSCS-MI-MP2 /CBS CP	Hide SCS-MP2 /CBS CPSCS-MP2 /CBS CP
01 Water ... Water	MP2/cc-pVTZ CP	-4.751	-4.918	-5.011	-4.966	-4.955	-4.386	-4.955	-4.466	-4.926	-4.965	-4.898	-4.791	-4.938	-4.906	-4.508
02 Water ... MeOH	MP2/cc-pVTZ CP	-5.351	-5.592	-5.701	-5.653	-5.694	-5.016	-5.694	-4.849	-5.593	-5.678	-5.493	-5.468	-5.631	-5.53	-5.095
03 Water ... MeNH2	MP2/cc-pVTZ CP	-6.595	-6.908	-7.036	-6.984	-7.084	-6.306	-7.084	-6.024	-6.923	-7.152	-6.762	-6.752	-6.935	-6.822	-6.391
04 Water ... Peptide	MP2/cc-pVTZ CP	-7.802	-8.103	-8.22	-8.169	-8.071	-7.076	-8.071	-6.843	-8.063	-8.004	-8.055	-7.9	-8.163	-8.003	-7.26
05 MeOH ... MeOH	MP2/cc-pVTZ CP	-5.449	-5.757	-5.851	-5.811	-5.837	-5.16	-5.838	-5.122	-5.732	-5.826	-5.625	-5.622	-5.793	-5.637	-5.15
06 MeOH ... MeNH2	MP2/cc-pVTZ CP	-7.087	-7.554	-7.666	-7.619	-7.721	-6.869	-7.727	-6.862	-7.527	-7.808	-7.327	-7.386	-7.594	-7.33	-6.779
07 MeOH ... Peptide	MP2/cc-pVTZ CP	-7.789	-8.23	-8.337	-8.292	-8.18	-7.183	-8.181	-7.168	-8.146	-8.145	-8.11	-7.984	-8.268	-8.029	-7.195
08 MeOH ... Water	MP2/cc-pVTZ CP	-4.792	-5.009	-5.087	-5.052	-5.031	-4.463	-5.031	-4.66	-4.998	-5.045	-4.965	-4.876	-5.028	-4.954	-4.516
09 MeNH2 ... MeOH	MP2/cc-pVTZ CP	-2.777	-3.059	-3.113	-3.085	-2.988	-2.637	-3.059	-2.547	-2.987	-3.08	-2.914	-3.018	-3.109	-2.78	-2.505
10 MeNH2 ... MeNH2	MP2/cc-pVTZ CP	-3.75	-4.16	-4.223	-4.193	-4.119	-3.647	-4.29	-3.646	-4.108	-4.331	-3.926	-4.137	-4.25	-3.798	-3.472
11 MeNH2 ... Peptide	MP2/cc-pVTZ CP	-4.891	-5.419	-5.48	-5.451	-5.364	-4.741	-5.53	-4.634	-5.318	-5.41	-5.106	-5.327	-5.51	-5.038	-4.454
12 MeNH2 ... Water	MP2/cc-pVTZ CP	-6.916	-7.266	-7.402	-7.347	-7.518	-6.646	-7.52	-6.461	-7.303	-7.526	-7.085	-7.131	-7.323	-7.176	-6.704
13 Peptide ... MeOH	MP2/cc-pVTZ CP	-5.778	-6.187	-6.282	-6.242	-6.31	-5.607	-6.324	-5.622	-6.153	-6.292	-5.982	-6.089	-6.257	-5.958	-5.459
14 Peptide ... MeNH2	MP2/cc-pVTZ CP	-6.889	-7.454	-7.561	-7.517	-7.648	-6.892	-7.682	-6.995	-7.409	-7.738	-7.137	-7.323	-7.505	-7.113	-6.614
15 Peptide ... Peptide	MP2/cc-pVTZ CP	-8.03	-8.63	-8.721	-8.681	-8.663	-7.758	-8.674	-7.64	-8.517	-8.579	-8.36	-8.418	-8.669	-8.266	-7.51
16 Peptide ... Water	MP2/cc-pVTZ CP	-4.886	-5.124	-5.199	-5.167	-5.147	-4.63	-5.148	-4.856	-5.11	-5.167	-5.072	-5.02	-5.158	-5.016	-4.61
17 Uracil ... Uracil (BP)	MP2/cc-pVTZ CP	-16.288	-17.182	-17.448	-17.356	-17.168	-15.396	-17.168	-15.559	-17.106	-16.981	-17.045	-16.327	-17.06	-17.406	-15.281
18 Water ... Pyridine	MP2/cc-pVTZ CP	-6.509	-6.857	-6.975	-6.931	-7.068	-6.334	-7.069	-5.921	-6.84	-6.955	-6.611	-6.716	-6.875	-6.735	-6.384
19 MeOH ... Pyridine	MP2/cc-pVTZ CP	-6.928	-7.41	-7.51	-7.475	-7.669	-6.913	-7.675	-6.694	-7.377	-7.502	-7.079	-7.242	-7.422	-7.24	-6.782
20 AcOH ... AcOH	MP2/cc-pVTZ CP	-18.385	-19.093	-19.415	-19.301	-19	-16.643	-19	-17.362	-19.111	-18.982	-19.222	-18.194	-18.979	-19.396	-17.309
21 AcNH2 ... AcNH2	MP2/cc-pVTZ CP	-15.598	-16.265	-16.525	-16.434	-16.122	-14.406	-16.122	-14.626	-16.244	-16.167	-16.365	-15.694	-16.221	-16.075	-14.706
22 AcOH ... Uracil	MP2/cc-pVTZ CP	-18.727	-19.491	-19.783	-19.681	-19.401	-17.281	-19.401	-17.8	-19.484	-19.307	-19.567	-18.619	-19.389	-19.772	-17.625
23 AcNH2 ... Uracil	MP2/cc-pVTZ CP	-18.441	-19.189	-19.467	-19.37	-19.101	-17.233	-19.101	-17.545	-19.18	-19.007	-19.258	-18.404	-19.111	-19.364	-17.392
24 Benzene ... Benzene (pi-pi)	MP2/cc-pVTZ CP	-1.762	-2.822	-2.724	-2.758	-3.252	-4.164	-4.703	-3.678	-3.214	-2.781	-1.725	-2.794	-2.789	-3.129	-2.905
25 Pyridine ... Pyridine (pi-pi)	MP2/cc-pVTZ CP	-2.77	-3.895	-3.801	-3.831	-4.557	-5.366	-6.006	-4.875	-4.355	-3.911	-2.705	-3.841	-3.861	-4.329	-4.05
26 Uracil ... Uracil (pi-pi)	MP2/cc-pVTZ CP	-8.121	-9.829	-9.752	-9.771	-9.824	-9.794	-11.139	-9.065	-9.47	-9.371	-7.801	-9.395	-9.712	-9.558	-8.251
27 Benzene ... Pyridine (pi-pi)	MP2/cc-pVTZ CP	-2.337	-3.439	-3.342	-3.375	-3.973	-4.84	-5.432	-4.343	-3.851	-3.396	-2.27	-3.394	-3.405	-3.802	-3.54
28 Benzene ... Uracil (pi-pi)	MP2/cc-pVTZ CP	-4.281	-5.713	-5.593	-5.628	-5.82	-6.603	-7.535	-5.901	-5.776	-5.449	-4.017	-5.59	-5.673	-5.689	-5.113
29 Pyridine ... Uracil (pi-pi)	MP2/cc-pVTZ CP	-5.405	-6.819	-6.701	-6.734	-7.159	-7.658	-8.626	-6.881	-6.858	-6.555	-5.091	-6.644	-6.769	-6.888	-6.205
30 Benzene ... Ethene	MP2/cc-pVTZ CP	-0.828	-1.432	-1.364	-1.388	-1.428	-1.92	-2.325	-1.547	-1.705	-1.438	-1.084	-1.492	-1.48	-1.35	-1.279
31 Uracil ... Ethene	MP2/cc-pVTZ CP	-2.681	-3.38	-3.329	-3.341	-3.187	-3.398	-4.011	-3.047	-3.424	-3.273	-2.838	-3.337	-3.429	-3.151	-2.769
32 Uracil ... Ethyne	MP2/cc-pVTZ CP	-3.122	-3.738	-3.693	-3.707	-3.833	-3.735	-4.409	-3.398	-3.793	-3.624	-3.177	-3.644	-3.758	-3.704	-3.255
33 Pyridine ... Ethene	MP2/cc-pVTZ CP	-1.234	-1.872	-1.805	-1.827	-1.909	-2.395	-2.826	-2.03	-2.156	-1.9	-1.486	-1.918	-1.92	-1.819	-1.71
34 Pentane ... Pentane	MP2/cc-pVTZ CP	-2.867	-3.776	-3.764	-3.749	-2.658	-3.337	-3.968	-3.221	-3.555	-3.88	-3.141	-3.938	-4.023	-2.738	-2.347
35 Neopentane ... Pentane	MP2/cc-pVTZ CP	-1.97	-2.613	-2.604	-2.591	-1.778	-2.225	-2.675	-2.161	-2.431	-2.661	-2.186	-2.704	-2.77	-1.842	-1.57
36 Neopentane ... Neopentane	MP2/cc-pVTZ CP	-1.311	-1.777	-1.764	-1.756	-1.123	-1.46	-1.737	-1.399	-1.611	-1.796	-1.484	-1.833	-1.873	-1.153	-0.994
37 Cyclopentane ... Neopentane	MP2/cc-pVTZ CP	-1.783	-2.404	-2.397	-2.386	-1.614	-2.058	-2.485	-2.01	-2.23	-2.463	-1.976	-2.483	-2.547	-1.683	-1.424
38 Cyclopentane ... Cyclopentane	MP2/cc-pVTZ CP	-2.259	-2.997	-2.986	-2.977	-2.112	-2.641	-3.137	-2.569	-2.8	-3.09	-2.463	-3.085	-3.163	-2.189	-1.862
39 Benzene ... Cyclopentane	MP2/cc-pVTZ CP	-2.669	-3.575	-3.514	-3.533	-3.344	-4	-4.58	-3.83	-3.709	-3.682	-2.838	-3.622	-3.684	-3.31	-2.956
40 Benzene ... Neopentane	MP2/cc-pVTZ CP	-2.184	-2.895	-2.849	-2.863	-2.657	-3.124	-3.599	-3.009	-2.992	-2.997	-2.386	-2.921	-2.976	-2.623	-2.347
41 Uracil ... Pentane	MP2/cc-pVTZ CP	-3.655	-4.848	-4.811	-4.811	-3.909	-4.585	-5.441	-4.284	-4.556	-4.752	-3.672	-4.845	-4.957	-3.995	-3.433
42 Uracil ... Cyclopentane	MP2/cc-pVTZ CP	-3.076	-4.138	-4.091	-4.098	-3.339	-3.995	-4.698	-3.702	-3.889	-4.045	-3.08	-4.138	-4.223	-3.399	-2.94
43 Uracil ... Neopentane	MP2/cc-pVTZ CP	-2.869	-3.712	-3.689	-3.689	-3.035	-3.478	-4.05	-3.196	-3.487	-3.638	-2.924	-3.699	-3.784	-3.068	-2.654
44 Ethene ... Pentane	MP2/cc-pVTZ CP	-1.524	-2.005	-1.993	-1.988	-1.448	-1.73	-2.151	-1.631	-1.962	-2.076	-1.773	-2.078	-2.131	-1.48	-1.28
45 Ethyne ... Pentane	MP2/cc-pVTZ CP	-1.341	-1.748	-1.715	-1.727	-1.51	-1.723	-2.104	-1.577	-1.815	-1.873	-1.526	-1.804	-1.837	-1.48	-1.34
46 Peptide ... Pentane	MP2/cc-pVTZ CP	-3.32	-4.264	-4.256	-4.243	-3.254	-3.715	-4.513	-3.534	-3.988	-4.274	-3.462	-4.329	-4.436	-3.329	-2.855
47 Benzene ... Benzene (TS)	MP2/cc-pVTZ CP	-2.239	-2.876	-2.828	-2.843	-2.951	-3.258	-3.745	-3.115	-3.049	-2.964	-2.353	-2.833	-2.906	-2.896	-2.577
48 Pyridine ... Pyridine (TS)	MP2/cc-pVTZ CP	-2.886	-3.535	-3.506	-3.513	-3.688	-3.829	-4.39	-3.662	-3.678	-3.645	-2.966	-3.461	-3.563	-3.558	-3.179
49 Benzene ... Pyridine (TS)	MP2/cc-pVTZ CP	-2.704	-3.331	-3.293	-3.304	-3.472	-3.641	-4.175	-3.53	-3.485	-3.41	-2.795	-3.272	-3.366	-3.362	-2.999
50 Benzene ... Ethyne (CH-pi)	MP2/cc-pVTZ CP	-2.493	-2.867	-2.857	-2.86	-3.168	-2.914	-3.463	-2.99	-3.031	-2.958	-2.599	-2.781	-2.904	-3.022	-2.648
51 Ethyne ... Ethyne (TS)	MP2/cc-pVTZ CP	-1.371	-1.524	-1.539	-1.536	-1.623	-1.345	-1.661	-1.384	-1.589	-1.591	-1.517	-1.449	-1.531	-1.539	-1.34
52 Benzene ... AcOH (OH-pi)	MP2/cc-pVTZ CP	-4.122	-4.707	-4.726	-4.715	-4.924	-4.338	-5.25	-4.373	-4.76	-4.722	-4.269	-4.573	-4.713	-4.58	-4.146
53 Benzene ... AcNH2 (NH-pi)	MP2/cc-pVTZ CP	-3.843	-4.361	-4.405	-4.387	-4.49	-4.066	-4.722	-3.904	-4.396	-4.39	-4.07	-4.222	-4.373	-4.195	-3.752
54 Benzene ... Water (OH-pi)	MP2/cc-pVTZ CP	-2.947	-3.277	-3.288	-3.277	-3.423	-2.952	-3.567	-2.912	-3.312	-3.257	-3.057	-3.208	-3.304	-3.164	-2.88
55 Benzene ... MeOH (OH-pi)	MP2/cc-pVTZ CP	-3.604	-4.188	-4.168	-4.168	-4.253	-3.995	-4.762	-3.972	-4.28	-4.25	-3.797	-4.148	-4.251	-3.986	-3.634
56 Benzene ... MeNH2 (NH-pi)	MP2/cc-pVTZ CP	-2.651	-3.231	-3.199	-3.204	-3.148	-3.229	-3.843	-3.111	-3.338	-3.277	-2.832	-3.241	-3.31	-3.029	-2.74
57 Benzene ... Peptide (NH-pi)	MP2/cc-pVTZ CP	-4.46	-5.282	-5.255	-5.258	-5.441	-5.397	-6.199	-5.34	-5.425	-5.433	-4.651	-5.234	-5.349	-5.113	-4.674
58 Pyridine ... Pyridine (CH-N)	MP2/cc-pVTZ CP	-3.688	-4.146	-4.237	-4.205	-4.244	-3.817	-4.367	-3.772	-4.047	-4.178	-3.727	-4.014	-4.152	-3.915	-3.576
59 Ethyne ... Water (CH-O)	MP2/cc-pVTZ CP	-2.731	-2.85	-2.927	-2.899	-2.873	-2.529	-2.873	-2.761	-2.876	-2.863	-2.878	-2.705	-2.851	-2.939	-2.553
60 Ethyne ... AcOH (OH-pi)	MP2/cc-pVTZ CP	-4.515	-4.868	-4.966	-4.933	-5.019	-3.999	-5.029	-4.206	-4.945	-4.914	-4.862	-4.61	-4.849	-4.858	-4.264
61 Pentane ... AcOH	MP2/cc-pVTZ CP	-2.242	-2.912	-2.906	-2.894	-2.125	-2.435	-3.029	-2.252	-2.691	-2.878	-2.354	-2.948	-3.026	-2.203	-1.865
62 Pentane ... AcNH2	MP2/cc-pVTZ CP	-2.75	-3.534	-3.528	-3.516	-2.652	-2.966	-3.657	-2.772	-3.277	-3.483	-2.897	-3.541	-3.644	-2.735	-2.319
63 Benzene ... AcOH	MP2/cc-pVTZ CP	-3.097	-3.801	-3.747	-3.76	-3.713	-3.865	-4.556	-3.597	-3.861	-3.747	-3.167	-3.772	-3.873	-3.64	-3.211
64 Peptide ... Ethene	MP2/cc-pVTZ CP	-2.507	-2.999	-3.001	-2.995	-2.654	-2.611	-3.168	-2.45	-2.943	-3	-2.719	-2.947	-3.064	-2.634	-2.257
65 Pyridine ... Ethyne	MP2/cc-pVTZ CP	-3.72	-3.991	-4.104	-4.068	-4.206	-3.784	-4.207	-3.789	-4.045	-4.082	-3.882	-3.792	-3.972	-4.092	-3.675
66 MeNH2 ... Pyridine	MP2/cc-pVTZ CP	-3.363	-3.968	-3.966	-3.963	-3.972	-3.936	-4.552	-3.667	-4.018	-4.026	-3.484	-3.955	-4.043	-3.733	-3.42

Benchmark Energy & Geometry Database