| Filename |
Size |
| results
| 10.5M |
| DTZ3OH2_int5_s1_opt.log | 4.4M |
| DTZ3OH2_int5_s0_opt.log | 4.0M |
| DTZ3OH3_int5_s1_opt.log | 3.6M |
| DTZ3OH3_int5_s0_opt.log | 2.8M |
| DTZ3OH1_int5_s1_opt.log | 2.5M |
| DTZ3OH1_int5_s0_opt.log | 2.4M |
| DTZ3OH3_int5_s0_opt_multiwfn.log | 8.4K |
| DTZ3OH1_int5_s0_opt_multiwfn.log | 8.3K |
| DTZ3OH2_int5_s0_opt_multiwfn.log | 8.3K |
| DTZ3OH3_int5_s0_opt.gjf | 3.2K |
| DTZ3OH1_int5_s0_opt.gjf | 3.0K |
| DTZ3OH2_int5_s0_opt.gjf | 3.0K |
| DTZ3OH3_int5_s1_opt.gjf | 2.4K |
| DTZ3OH3_int5_s1_opt.gjfe | 2.4K |
| fort.7 | 2.4K |
| DTZ3OH1_int5_s1_opt.gjf | 2.3K |
| DTZ3OH2_int5_s1_opt.gjf | 2.3K |
| DTZ3OH1_int5_s1_opt.gjfe | 2.2K |
| DTZ3OH2_int5_s1_opt.gjfe | 2.2K |
| generate_s1_opt_input.sh | 398 |
| g16_sub.sh | 367 |
| generate_s0_opt_input.sh | 168 |
| calculate_s1_to_s0.sh | 155 |
| slurm-3658272.out | 97 |
| multiwfn_cmd | 19 |
| slurm-3657787.out | 0 |
| slurm-3657788.out | 0 |
| slurm-3657789.out | 0 |
| slurm-3658273.out | 0 |
| slurm-3658274.out | 0 |
| slurm-3662523.out | 0 |