Match Eigenvalue 6
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-serial-full: [foss2023a-serial] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
2.810900000000000e-02 | 2.811100000000000e-02 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 6 --', 3)