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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2023 | ACE-H_W_1_A_0_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -270.12249267; Eh | |||
 | 17-Jan-2023 | ACE-H_W_1_A_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -270.13927632; Eh | |||
 | 17-Jan-2023 | ACE-H_W_1_A_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -463.46350417; Eh | |||
 | 17-Jan-2023 | MeOH2_W_0_A_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -116.10127204; Eh | |||
 | 17-Jan-2023 | H_H2O_5_c_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -382.80445457; Eh | |||
 | 17-Jan-2023 | H_H2O_5_d_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -382.77941791; Eh |
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