| C6H6_30_216: -231.5860191 | |
| C2H4O_sto_3g_24_38: -151.1235697155 | |
| C2_cc_pvdz_12_56: -75.7319604 | |
| N2_cc_pvdz_14_56: -109.282173 | |
| H2O_cc_pvdz_10_48: -76.2439135369 | |
| H2O_cc_pvtz_10_116: -76.33766416831092 | |
| Fe2S2_30_40: -116.6056091 | |
| Fe4S4_54_72: -327.2396369 | |
| Pcluster_114_146: -17492.21813 | |
| FeMoCo_54_108: null | |
| ya_H2O_cc_pvdz_10_48: -76.2418601 | |
| ya_C2_cc_pvdz_12_56: -75.7319604 | |
| ya_N2_cc_pvdz_14_56: -109.2821727 | |
| ya_Cr2_ahlrichs_vdz_48_84: -2086.443565 | |