# By number
1:  01_methane-F2.xyz
2:  02_methane-Cl2.xyz
3:  03_methane-Br2.xyz
4:  04_methane-I2.xyz
5:  05_fluoromethane-methane.xyz
6:  06_chloromethane-methane.xyz
7:  07_trifluoromethane-methane.xyz
8:  08_trichloromethane-methane.xyz
9:  09_fluoromethane-fluoromethane.xyz
10: 10_chloromethane-chloromethane.xyz
11: 11_benF3-ben.xyz
12: 12_benF6-ben.xyz
13: 13_chloromethane-formaldehyde.xyz
14: 14_bromomethane-formaldehyde.xyz
15: 15_iodomethane-formaldehyde.xyz
16: 16_F3chloromethane-formaldehyde.xyz
17: 17_F3bromomethane-formaldehyde.xyz
18: 18_F3iodomethane-formaldehyde.xyz
19: 19_benCl-acetone.xyz
20: 20_benBr-acetone.xyz
21: 21_benI-acetone.xyz
22: 22_benCl-Nm3.xyz
23: 23_benBr-Nm3.xyz
24: 24_benI-Nm3.xyz
25: 25_benBr-mSH.xyz
26: 26_benI-mSH.xyz
27: 27_CH3Br-ben.xyz
28: 28_CH3I-ben.xyz
29: 29_CF3Br-ben.xyz
30: 30_CF3I-ben.xyz
31: 31_trifluorometOH-wat.xyz
32: 32_trichlorometOH-wat.xyz
33: 33_HF-mOH.xyz
34: 34_HCl-mOH.xyz
35: 35_HBr-mOH.xyz
36: 36_HI-mOH.xyz
37: 37_HF-mNH2.xyz
38: 38_HCl-mNH2.xyz
39: 39_methanol-fluoromethane.xyz
40: 40_methanol-chloromethane.xyz