| Filename |
Size |
| results
| 14.8M |
| dtz_6-pi-NMe-cyclo2-1-CF3_int5_s0_opt.log | 3.0M |
| dtz_6-pi-NMe-cyclo2-1_int5_s1_opt.log | 3.0M |
| dtz_6-pi-NMe-cyclo2-1-DTZ-CF3_int5_s1_opt.log | 2.8M |
| dtz_6-pi-NMe-cyclo2-1-DTZ-CF3_int5_s0_opt.log | 2.4M |
| dtz_6-pi-NMe-cyclo2-1_int5_s0_opt.log | 2.3M |
| dtz_6-pi-NMe-6-DTZ-CF3_int5_s1_opt.log | 2.2M |
| dtz_6-pi-NMe-cyclo2-1-CF3_int5_s1_opt.log | 2.2M |
| dtz_6-pi-NMe-8-H_int5_s1_opt.log | 2.0M |
| dtz_6-pi-NMe-6-DTZ-CF3_int5_s0_opt.log | 1.9M |
| dtz_6-pi-NMe-8-H_int5_s0_opt.log | 1.7M |
| dtz_6-pi-NMe-8-CF3_int5_s0_opt.log | 1.4M |
| dtz_6-pi-NMe-8-CF3_int5_s1_opt.log | 145.5K |
| dtz_6-pi-NMe-cyclo2-1-DTZ-CF3_int5_s0_opt.gjf | 5.3K |
| dtz_6-pi-NMe-cyclo2-1_int5_s0_opt.gjf | 5.0K |
| dtz_6-pi-NMe-cyclo2-1-CF3_int5_s0_opt.gjf | 4.5K |
| dtz_6-pi-NMe-6-DTZ-CF3_int5_s0_opt.gjf | 4.4K |
| dtz_6-pi-NMe-8-CF3_int5_s0_opt.gjf | 3.7K |
| dtz_6-pi-NMe-8-H_int5_s0_opt.gjf | 3.5K |
| dtz_6-pi-NMe-cyclo2-1-DTZ-CF3_int5_s1_opt.gjf | 3.4K |
| dtz_6-pi-NMe-cyclo2-1_int5_s1_opt.gjf | 3.2K |
| dtz_6-pi-NMe-cyclo2-1-CF3_int5_s1_opt.gjf | 2.9K |
| fort.7 | 2.9K |
| dtz_6-pi-NMe-6-DTZ-CF3_int5_s1_opt.gjf | 2.8K |
| dtz_6-pi-NMe-8-CF3_int5_s1_opt.gjf | 2.4K |
| dtz_6-pi-NMe-8-H_int5_s1_opt.gjf | 2.3K |
| generate_s1_opt_input.sh | 398 |
| g16_sub.sh | 367 |
| generate_s0_opt_input.sh | 168 |
| calculate_s1_to_s0.sh | 153 |
| slurm-3358126.out | 97 |
| multiwfn_cmd | 19 |
| slurm-3378292.out | 0 |
| slurm-3378293.out | 0 |