01 methane ... F2 0.80 |
MP2/cc-pVTZ CP |
0.306 |
01 methane ... F2 0.85 |
MP2/cc-pVTZ CP |
-0.237 |
01 methane ... F2 0.90 |
MP2/cc-pVTZ CP |
-0.444 |
01 methane ... F2 0.95 |
MP2/cc-pVTZ CP |
-0.487 |
01 methane ... F2 1.00 |
MP2/cc-pVTZ CP |
-0.458 |
01 methane ... F2 1.05 |
MP2/cc-pVTZ CP |
-0.4 |
01 methane ... F2 1.10 |
MP2/cc-pVTZ CP |
-0.338 |
01 methane ... F2 1.25 |
MP2/cc-pVTZ CP |
-0.187 |
01 methane ... F2 1.50 |
MP2/cc-pVTZ CP |
-0.07 |
01 methane ... F2 2.00 |
MP2/cc-pVTZ CP |
-0.014 |
02 methane ... Cl2 0.80 |
MP2/cc-pVTZ CP |
1.804 |
02 methane ... Cl2 0.85 |
MP2/cc-pVTZ CP |
-0.066 |
02 methane ... Cl2 0.90 |
MP2/cc-pVTZ CP |
-0.841 |
02 methane ... Cl2 0.95 |
MP2/cc-pVTZ CP |
-1.073 |
02 methane ... Cl2 1.00 |
MP2/cc-pVTZ CP |
-1.055 |
02 methane ... Cl2 1.05 |
MP2/cc-pVTZ CP |
-0.937 |
02 methane ... Cl2 1.10 |
MP2/cc-pVTZ CP |
-0.792 |
02 methane ... Cl2 1.25 |
MP2/cc-pVTZ CP |
-0.427 |
02 methane ... Cl2 1.50 |
MP2/cc-pVTZ CP |
-0.151 |
02 methane ... Cl2 2.00 |
MP2/cc-pVTZ CP |
-0.029 |
03 methane ... Br2 0.80 |
MP2/cc-pVTZ CP |
2.441 |
03 methane ... Br2 0.85 |
MP2/cc-pVTZ CP |
0.087 |
03 methane ... Br2 0.90 |
MP2/cc-pVTZ CP |
-0.927 |
03 methane ... Br2 0.95 |
MP2/cc-pVTZ CP |
-1.263 |
03 methane ... Br2 1.00 |
MP2/cc-pVTZ CP |
-1.276 |
03 methane ... Br2 1.05 |
MP2/cc-pVTZ CP |
-1.152 |
03 methane ... Br2 1.10 |
MP2/cc-pVTZ CP |
-0.984 |
03 methane ... Br2 1.25 |
MP2/cc-pVTZ CP |
-0.541 |
03 methane ... Br2 1.50 |
MP2/cc-pVTZ CP |
-0.193 |
03 methane ... Br2 2.00 |
MP2/cc-pVTZ CP |
-0.037 |
04 methane ... I2 0.80 |
MP2/cc-pVTZ CP |
2.807 |
04 methane ... I2 0.85 |
MP2/cc-pVTZ CP |
0.222 |
04 methane ... I2 0.90 |
MP2/cc-pVTZ CP |
-0.908 |
04 methane ... I2 0.95 |
MP2/cc-pVTZ CP |
-1.295 |
04 methane ... I2 1.00 |
MP2/cc-pVTZ CP |
-1.324 |
04 methane ... I2 1.05 |
MP2/cc-pVTZ CP |
-1.201 |
04 methane ... I2 1.10 |
MP2/cc-pVTZ CP |
-1.028 |
04 methane ... I2 1.25 |
MP2/cc-pVTZ CP |
-0.563 |
04 methane ... I2 1.50 |
MP2/cc-pVTZ CP |
-0.199 |
04 methane ... I2 2.00 |
MP2/cc-pVTZ CP |
-0.037 |
05 fluoromethane ... methane 0.80 |
MP2/cc-pVTZ CP |
0.759 |
05 fluoromethane ... methane 0.85 |
MP2/cc-pVTZ CP |
-0.287 |
05 fluoromethane ... methane 0.90 |
MP2/cc-pVTZ CP |
-0.671 |
05 fluoromethane ... methane 0.95 |
MP2/cc-pVTZ CP |
-0.755 |
05 fluoromethane ... methane 1.00 |
MP2/cc-pVTZ CP |
-0.713 |
05 fluoromethane ... methane 1.05 |
MP2/cc-pVTZ CP |
-0.625 |
05 fluoromethane ... methane 1.10 |
MP2/cc-pVTZ CP |
-0.527 |
05 fluoromethane ... methane 1.25 |
MP2/cc-pVTZ CP |
-0.293 |
05 fluoromethane ... methane 1.50 |
MP2/cc-pVTZ CP |
-0.111 |
05 fluoromethane ... methane 2.00 |
MP2/cc-pVTZ CP |
-0.023 |
06 chloromethane ... methane 0.80 |
MP2/cc-pVTZ CP |
1.698 |
06 chloromethane ... methane 0.85 |
MP2/cc-pVTZ CP |
-0.131 |
06 chloromethane ... methane 0.90 |
MP2/cc-pVTZ CP |
-0.809 |
06 chloromethane ... methane 0.95 |
MP2/cc-pVTZ CP |
-0.988 |
06 chloromethane ... methane 1.00 |
MP2/cc-pVTZ CP |
-0.959 |
06 chloromethane ... methane 1.05 |
MP2/cc-pVTZ CP |
-0.852 |
06 chloromethane ... methane 1.10 |
MP2/cc-pVTZ CP |
-0.726 |
06 chloromethane ... methane 1.25 |
MP2/cc-pVTZ CP |
-0.411 |
06 chloromethane ... methane 1.50 |
MP2/cc-pVTZ CP |
-0.16 |
06 chloromethane ... methane 2.00 |
MP2/cc-pVTZ CP |
-0.035 |
07 trifluoromethane ... methane 0.80 |
MP2/cc-pVTZ CP |
0.33 |
07 trifluoromethane ... methane 0.85 |
MP2/cc-pVTZ CP |
-0.413 |
07 trifluoromethane ... methane 0.90 |
MP2/cc-pVTZ CP |
-0.657 |
07 trifluoromethane ... methane 0.95 |
MP2/cc-pVTZ CP |
-0.677 |
07 trifluoromethane ... methane 1.00 |
MP2/cc-pVTZ CP |
-0.608 |
07 trifluoromethane ... methane 1.05 |
MP2/cc-pVTZ CP |
-0.512 |
07 trifluoromethane ... methane 1.10 |
MP2/cc-pVTZ CP |
-0.418 |
07 trifluoromethane ... methane 1.25 |
MP2/cc-pVTZ CP |
-0.213 |
07 trifluoromethane ... methane 1.50 |
MP2/cc-pVTZ CP |
-0.071 |
07 trifluoromethane ... methane 2.00 |
MP2/cc-pVTZ CP |
-0.012 |
08 trichloromethane ... methane 0.80 |
MP2/cc-pVTZ CP |
1.629 |
08 trichloromethane ... methane 0.85 |
MP2/cc-pVTZ CP |
-0.207 |
08 trichloromethane ... methane 0.90 |
MP2/cc-pVTZ CP |
-0.949 |
08 trichloromethane ... methane 0.95 |
MP2/cc-pVTZ CP |
-1.156 |
08 trichloromethane ... methane 1.00 |
MP2/cc-pVTZ CP |
-1.117 |
08 trichloromethane ... methane 1.05 |
MP2/cc-pVTZ CP |
-0.983 |
08 trichloromethane ... methane 1.10 |
MP2/cc-pVTZ CP |
-0.824 |
08 trichloromethane ... methane 1.25 |
MP2/cc-pVTZ CP |
-0.436 |
08 trichloromethane ... methane 1.50 |
MP2/cc-pVTZ CP |
-0.149 |
08 trichloromethane ... methane 2.00 |
MP2/cc-pVTZ CP |
-0.025 |
09 fluoromethane dimer 0.80 |
MP2/cc-pVTZ CP |
0.675 |
09 fluoromethane dimer 0.85 |
MP2/cc-pVTZ CP |
-0.849 |
09 fluoromethane dimer 0.90 |
MP2/cc-pVTZ CP |
-1.461 |
09 fluoromethane dimer 0.95 |
MP2/cc-pVTZ CP |
-1.628 |
09 fluoromethane dimer 1.00 |
MP2/cc-pVTZ CP |
-1.59 |
09 fluoromethane dimer 1.05 |
MP2/cc-pVTZ CP |
-1.469 |
09 fluoromethane dimer 1.10 |
MP2/cc-pVTZ CP |
-1.322 |
09 fluoromethane dimer 1.25 |
MP2/cc-pVTZ CP |
-0.93 |
09 fluoromethane dimer 1.50 |
MP2/cc-pVTZ CP |
-0.55 |
09 fluoromethane dimer 2.00 |
MP2/cc-pVTZ CP |
-0.256 |
10 chloromethane dimer 0.80 |
MP2/cc-pVTZ CP |
1.215 |
10 chloromethane dimer 0.85 |
MP2/cc-pVTZ CP |
-0.445 |
10 chloromethane dimer 0.90 |
MP2/cc-pVTZ CP |
-1.13 |
10 chloromethane dimer 0.95 |
MP2/cc-pVTZ CP |
-1.332 |
10 chloromethane dimer 1.00 |
MP2/cc-pVTZ CP |
-1.31 |
10 chloromethane dimer 1.05 |
MP2/cc-pVTZ CP |
-1.196 |
10 chloromethane dimer 1.10 |
MP2/cc-pVTZ CP |
-1.056 |
10 chloromethane dimer 1.25 |
MP2/cc-pVTZ CP |
-0.69 |
10 chloromethane dimer 1.50 |
MP2/cc-pVTZ CP |
-0.374 |
10 chloromethane dimer 2.00 |
MP2/cc-pVTZ CP |
-0.166 |
11 F3ben ... ben 0.80 |
MP2/cc-pVTZ CP |
8.633 |
11 F3ben ... ben 0.85 |
MP2/cc-pVTZ CP |
1.517 |
11 F3ben ... ben 0.90 |
MP2/cc-pVTZ CP |
-2.199 |
11 F3ben ... ben 0.95 |
MP2/cc-pVTZ CP |
-3.905 |
11 F3ben ... ben 1.00 |
MP2/cc-pVTZ CP |
-4.47 |
11 F3ben ... ben 1.05 |
MP2/cc-pVTZ CP |
-4.419 |
11 F3ben ... ben 1.10 |
MP2/cc-pVTZ CP |
-4.066 |
11 F3ben ... ben 1.25 |
MP2/cc-pVTZ CP |
-2.624 |
11 F3ben ... ben 1.50 |
MP2/cc-pVTZ CP |
-1.08 |
11 F3ben ... ben 2.00 |
MP2/cc-pVTZ CP |
-0.221 |
12 F6ben ... ben 0.80 |
MP2/cc-pVTZ CP |
11.949 |
12 F6ben ... ben 0.85 |
MP2/cc-pVTZ CP |
1.711 |
12 F6ben ... ben 0.90 |
MP2/cc-pVTZ CP |
-3.399 |
12 F6ben ... ben 0.95 |
MP2/cc-pVTZ CP |
-5.605 |
12 F6ben ... ben 1.00 |
MP2/cc-pVTZ CP |
-6.234 |
12 F6ben ... ben 1.05 |
MP2/cc-pVTZ CP |
-6.056 |
12 F6ben ... ben 1.10 |
MP2/cc-pVTZ CP |
-5.51 |
12 F6ben ... ben 1.25 |
MP2/cc-pVTZ CP |
-3.529 |
12 F6ben ... ben 1.50 |
MP2/cc-pVTZ CP |
-1.518 |
12 F6ben ... ben 2.00 |
MP2/cc-pVTZ CP |
-0.37 |
13 chloromethane ... fmdh 0.80 |
MP2/cc-pVTZ CP |
3.054 |
13 chloromethane ... fmdh 0.85 |
MP2/cc-pVTZ CP |
0.171 |
13 chloromethane ... fmdh 0.90 |
MP2/cc-pVTZ CP |
-0.88 |
13 chloromethane ... fmdh 0.95 |
MP2/cc-pVTZ CP |
-1.162 |
13 chloromethane ... fmdh 1.00 |
MP2/cc-pVTZ CP |
-1.132 |
13 chloromethane ... fmdh 1.05 |
MP2/cc-pVTZ CP |
-0.991 |
13 chloromethane ... fmdh 1.10 |
MP2/cc-pVTZ CP |
-0.823 |
13 chloromethane ... fmdh 1.25 |
MP2/cc-pVTZ CP |
-0.419 |
13 chloromethane ... fmdh 1.50 |
MP2/cc-pVTZ CP |
-0.125 |
13 chloromethane ... fmdh 2.00 |
MP2/cc-pVTZ CP |
-0.006 |
14 bromomethane ... fmdh 0.80 |
MP2/cc-pVTZ CP |
3.464 |
14 bromomethane ... fmdh 0.85 |
MP2/cc-pVTZ CP |
0.465 |
14 bromomethane ... fmdh 0.90 |
MP2/cc-pVTZ CP |
-0.991 |
14 bromomethane ... fmdh 0.95 |
MP2/cc-pVTZ CP |
-1.642 |
14 bromomethane ... fmdh 1.00 |
MP2/cc-pVTZ CP |
-1.695 |
14 bromomethane ... fmdh 1.05 |
MP2/cc-pVTZ CP |
-1.499 |
14 bromomethane ... fmdh 1.10 |
MP2/cc-pVTZ CP |
-1.24 |
14 bromomethane ... fmdh 1.25 |
MP2/cc-pVTZ CP |
-0.608 |
14 bromomethane ... fmdh 1.50 |
MP2/cc-pVTZ CP |
-0.165 |
14 bromomethane ... fmdh 2.00 |
MP2/cc-pVTZ CP |
0 |
15 iodomethane ... fmdh 0.80 |
MP2/cc-pVTZ CP |
2.526 |
15 iodomethane ... fmdh 0.85 |
MP2/cc-pVTZ CP |
-0.441 |
15 iodomethane ... fmdh 0.90 |
MP2/cc-pVTZ CP |
-1.817 |
15 iodomethane ... fmdh 0.95 |
MP2/cc-pVTZ CP |
-2.311 |
15 iodomethane ... fmdh 1.00 |
MP2/cc-pVTZ CP |
-2.342 |
15 iodomethane ... fmdh 1.05 |
MP2/cc-pVTZ CP |
-2.151 |
15 iodomethane ... fmdh 1.10 |
MP2/cc-pVTZ CP |
-1.875 |
15 iodomethane ... fmdh 1.25 |
MP2/cc-pVTZ CP |
-1.073 |
15 iodomethane ... fmdh 1.50 |
MP2/cc-pVTZ CP |
-0.328 |
15 iodomethane ... fmdh 2.00 |
MP2/cc-pVTZ CP |
-0.029 |
16 F3chloromethane ... fmdh 0.80 |
MP2/cc-pVTZ CP |
1.19 |
16 F3chloromethane ... fmdh 0.85 |
MP2/cc-pVTZ CP |
-0.979 |
16 F3chloromethane ... fmdh 0.90 |
MP2/cc-pVTZ CP |
-1.938 |
16 F3chloromethane ... fmdh 0.95 |
MP2/cc-pVTZ CP |
-2.238 |
16 F3chloromethane ... fmdh 1.00 |
MP2/cc-pVTZ CP |
-2.2 |
16 F3chloromethane ... fmdh 1.05 |
MP2/cc-pVTZ CP |
-2.009 |
16 F3chloromethane ... fmdh 1.10 |
MP2/cc-pVTZ CP |
-1.763 |
16 F3chloromethane ... fmdh 1.25 |
MP2/cc-pVTZ CP |
-1.083 |
16 F3chloromethane ... fmdh 1.50 |
MP2/cc-pVTZ CP |
-0.447 |
16 F3chloromethane ... fmdh 2.00 |
MP2/cc-pVTZ CP |
-0.116 |
17 F3bromomethane ... fmdh 0.80 |
MP2/cc-pVTZ CP |
1.44 |
17 F3bromomethane ... fmdh 0.85 |
MP2/cc-pVTZ CP |
-1.357 |
17 F3bromomethane ... fmdh 0.90 |
MP2/cc-pVTZ CP |
-2.636 |
17 F3bromomethane ... fmdh 0.95 |
MP2/cc-pVTZ CP |
-3.065 |
17 F3bromomethane ... fmdh 1.00 |
MP2/cc-pVTZ CP |
-3.046 |
17 F3bromomethane ... fmdh 1.05 |
MP2/cc-pVTZ CP |
-2.812 |
17 F3bromomethane ... fmdh 1.10 |
MP2/cc-pVTZ CP |
-2.495 |
17 F3bromomethane ... fmdh 1.25 |
MP2/cc-pVTZ CP |
-1.576 |
17 F3bromomethane ... fmdh 1.50 |
MP2/cc-pVTZ CP |
-0.71 |
17 F3bromomethane ... fmdh 2.00 |
MP2/cc-pVTZ CP |
-0.203 |
18 F3iodomethane ... fmdh 0.80 |
MP2/cc-pVTZ CP |
1.433 |
18 F3iodomethane ... fmdh 0.85 |
MP2/cc-pVTZ CP |
-1.932 |
18 F3iodomethane ... fmdh 0.90 |
MP2/cc-pVTZ CP |
-3.484 |
18 F3iodomethane ... fmdh 0.95 |
MP2/cc-pVTZ CP |
-4.011 |
18 F3iodomethane ... fmdh 1.00 |
MP2/cc-pVTZ CP |
-3.988 |
18 F3iodomethane ... fmdh 1.05 |
MP2/cc-pVTZ CP |
-3.694 |
18 F3iodomethane ... fmdh 1.10 |
MP2/cc-pVTZ CP |
-3.292 |
18 F3iodomethane ... fmdh 1.25 |
MP2/cc-pVTZ CP |
-2.107 |
18 F3iodomethane ... fmdh 1.50 |
MP2/cc-pVTZ CP |
-0.967 |
18 F3iodomethane ... fmdh 2.00 |
MP2/cc-pVTZ CP |
-0.285 |
19 benCl ... acetone 0.80 |
MP2/cc-pVTZ CP |
0.902 |
19 benCl ... acetone 0.85 |
MP2/cc-pVTZ CP |
-0.625 |
19 benCl ... acetone 0.90 |
MP2/cc-pVTZ CP |
-1.29 |
19 benCl ... acetone 0.95 |
MP2/cc-pVTZ CP |
-1.487 |
19 benCl ... acetone 1.00 |
MP2/cc-pVTZ CP |
-1.448 |
19 benCl ... acetone 1.05 |
MP2/cc-pVTZ CP |
-1.301 |
19 benCl ... acetone 1.10 |
MP2/cc-pVTZ CP |
-1.115 |
19 benCl ... acetone 1.25 |
MP2/cc-pVTZ CP |
-0.576 |
19 benCl ... acetone 1.50 |
MP2/cc-pVTZ CP |
-0.113 |
19 benCl ... acetone 2.00 |
MP2/cc-pVTZ CP |
0.032 |
20 benBr ... acetone 0.80 |
MP2/cc-pVTZ CP |
1.7 |
20 benBr ... acetone 0.85 |
MP2/cc-pVTZ CP |
-0.779 |
20 benBr ... acetone 0.90 |
MP2/cc-pVTZ CP |
-1.948 |
20 benBr ... acetone 0.95 |
MP2/cc-pVTZ CP |
-2.374 |
20 benBr ... acetone 1.00 |
MP2/cc-pVTZ CP |
-2.399 |
20 benBr ... acetone 1.05 |
MP2/cc-pVTZ CP |
-2.225 |
20 benBr ... acetone 1.10 |
MP2/cc-pVTZ CP |
-1.967 |
20 benBr ... acetone 1.25 |
MP2/cc-pVTZ CP |
-1.183 |
20 benBr ... acetone 1.50 |
MP2/cc-pVTZ CP |
-0.41 |
20 benBr ... acetone 2.00 |
MP2/cc-pVTZ CP |
-0.018 |
21 benI ... acetone 0.80 |
MP2/cc-pVTZ CP |
1.578 |
21 benI ... acetone 0.85 |
MP2/cc-pVTZ CP |
-1.444 |
21 benI ... acetone 0.90 |
MP2/cc-pVTZ CP |
-2.872 |
21 benI ... acetone 0.95 |
MP2/cc-pVTZ CP |
-3.381 |
21 benI ... acetone 1.00 |
MP2/cc-pVTZ CP |
-3.387 |
21 benI ... acetone 1.05 |
MP2/cc-pVTZ CP |
-3.139 |
21 benI ... acetone 1.10 |
MP2/cc-pVTZ CP |
-2.786 |
21 benI ... acetone 1.25 |
MP2/cc-pVTZ CP |
-1.716 |
21 benI ... acetone 1.50 |
MP2/cc-pVTZ CP |
-0.676 |
21 benI ... acetone 2.00 |
MP2/cc-pVTZ CP |
-0.104 |
22 benCl ... Nm3 0.80 |
MP2/cc-pVTZ CP |
1.671 |
22 benCl ... Nm3 0.85 |
MP2/cc-pVTZ CP |
-0.604 |
22 benCl ... Nm3 0.90 |
MP2/cc-pVTZ CP |
-1.682 |
22 benCl ... Nm3 0.95 |
MP2/cc-pVTZ CP |
-2.073 |
22 benCl ... Nm3 1.00 |
MP2/cc-pVTZ CP |
-2.092 |
22 benCl ... Nm3 1.05 |
MP2/cc-pVTZ CP |
-1.927 |
22 benCl ... Nm3 1.10 |
MP2/cc-pVTZ CP |
-1.686 |
22 benCl ... Nm3 1.25 |
MP2/cc-pVTZ CP |
-0.97 |
22 benCl ... Nm3 1.50 |
MP2/cc-pVTZ CP |
-0.312 |
22 benCl ... Nm3 2.00 |
MP2/cc-pVTZ CP |
-0.005 |
23 benBr ... Nm3 0.80 |
MP2/cc-pVTZ CP |
2.786 |
23 benBr ... Nm3 0.85 |
MP2/cc-pVTZ CP |
-0.958 |
23 benBr ... Nm3 0.90 |
MP2/cc-pVTZ CP |
-2.84 |
23 benBr ... Nm3 0.95 |
MP2/cc-pVTZ CP |
-3.61 |
23 benBr ... Nm3 1.00 |
MP2/cc-pVTZ CP |
-3.748 |
23 benBr ... Nm3 1.05 |
MP2/cc-pVTZ CP |
-3.549 |
23 benBr ... Nm3 1.10 |
MP2/cc-pVTZ CP |
-3.194 |
23 benBr ... Nm3 1.25 |
MP2/cc-pVTZ CP |
-2.005 |
23 benBr ... Nm3 1.50 |
MP2/cc-pVTZ CP |
-0.782 |
23 benBr ... Nm3 2.00 |
MP2/cc-pVTZ CP |
-0.112 |
24 benI ... Nm3 0.80 |
MP2/cc-pVTZ CP |
3.632 |
24 benI ... Nm3 0.85 |
MP2/cc-pVTZ CP |
-1.702 |
24 benI ... Nm3 0.90 |
MP2/cc-pVTZ CP |
-4.394 |
24 benI ... Nm3 0.95 |
MP2/cc-pVTZ CP |
-5.515 |
24 benI ... Nm3 1.00 |
MP2/cc-pVTZ CP |
-5.732 |
24 benI ... Nm3 1.05 |
MP2/cc-pVTZ CP |
-5.461 |
24 benI ... Nm3 1.10 |
MP2/cc-pVTZ CP |
-4.955 |
24 benI ... Nm3 1.25 |
MP2/cc-pVTZ CP |
-3.205 |
24 benI ... Nm3 1.50 |
MP2/cc-pVTZ CP |
-1.329 |
24 benI ... Nm3 2.00 |
MP2/cc-pVTZ CP |
-0.242 |
25 benBr ... mSH 0.80 |
MP2/cc-pVTZ CP |
9.335 |
25 benBr ... mSH 0.85 |
MP2/cc-pVTZ CP |
1.378 |
25 benBr ... mSH 0.90 |
MP2/cc-pVTZ CP |
-1.435 |
25 benBr ... mSH 0.95 |
MP2/cc-pVTZ CP |
-2.254 |
25 benBr ... mSH 1.00 |
MP2/cc-pVTZ CP |
-2.292 |
25 benBr ... mSH 1.05 |
MP2/cc-pVTZ CP |
-2.048 |
25 benBr ... mSH 1.10 |
MP2/cc-pVTZ CP |
-1.731 |
25 benBr ... mSH 1.25 |
MP2/cc-pVTZ CP |
-0.933 |
25 benBr ... mSH 1.50 |
MP2/cc-pVTZ CP |
-0.333 |
25 benBr ... mSH 2.00 |
MP2/cc-pVTZ CP |
-0.063 |
26 benI ... mSH 0.80 |
MP2/cc-pVTZ CP |
11.716 |
26 benI ... mSH 0.85 |
MP2/cc-pVTZ CP |
3.641 |
26 benI ... mSH 0.90 |
MP2/cc-pVTZ CP |
-1.296 |
26 benI ... mSH 0.95 |
MP2/cc-pVTZ CP |
-2.85 |
26 benI ... mSH 1.00 |
MP2/cc-pVTZ CP |
-3.062 |
26 benI ... mSH 1.05 |
MP2/cc-pVTZ CP |
-2.777 |
26 benI ... mSH 1.10 |
MP2/cc-pVTZ CP |
-2.35 |
26 benI ... mSH 1.25 |
MP2/cc-pVTZ CP |
-1.241 |
26 benI ... mSH 1.50 |
MP2/cc-pVTZ CP |
-0.422 |
26 benI ... mSH 2.00 |
MP2/cc-pVTZ CP |
-0.074 |
27 CH3Br ... ben 0.80 |
MP2/cc-pVTZ CP |
4.271 |
27 CH3Br ... ben 0.85 |
MP2/cc-pVTZ CP |
0.716 |
27 CH3Br ... ben 0.90 |
MP2/cc-pVTZ CP |
-1.007 |
27 CH3Br ... ben 0.95 |
MP2/cc-pVTZ CP |
-1.704 |
27 CH3Br ... ben 1.00 |
MP2/cc-pVTZ CP |
-1.858 |
27 CH3Br ... ben 1.05 |
MP2/cc-pVTZ CP |
-1.749 |
27 CH3Br ... ben 1.10 |
MP2/cc-pVTZ CP |
-1.531 |
27 CH3Br ... ben 1.25 |
MP2/cc-pVTZ CP |
-0.849 |
27 CH3Br ... ben 1.50 |
MP2/cc-pVTZ CP |
-0.254 |
27 CH3Br ... ben 2.00 |
MP2/cc-pVTZ CP |
-0.002 |
28 CH3I ... ben 0.80 |
MP2/cc-pVTZ CP |
6.817 |
28 CH3I ... ben 0.85 |
MP2/cc-pVTZ CP |
1.637 |
28 CH3I ... ben 0.90 |
MP2/cc-pVTZ CP |
-0.999 |
28 CH3I ... ben 0.95 |
MP2/cc-pVTZ CP |
-2.163 |
28 CH3I ... ben 1.00 |
MP2/cc-pVTZ CP |
-2.518 |
28 CH3I ... ben 1.05 |
MP2/cc-pVTZ CP |
-2.46 |
28 CH3I ... ben 1.10 |
MP2/cc-pVTZ CP |
-2.216 |
28 CH3I ... ben 1.25 |
MP2/cc-pVTZ CP |
-1.319 |
28 CH3I ... ben 1.50 |
MP2/cc-pVTZ CP |
-0.463 |
28 CH3I ... ben 2.00 |
MP2/cc-pVTZ CP |
-0.056 |
29 CF3Br ... ben 0.80 |
MP2/cc-pVTZ CP |
3.942 |
29 CF3Br ... ben 0.85 |
MP2/cc-pVTZ CP |
-0.206 |
29 CF3Br ... ben 0.90 |
MP2/cc-pVTZ CP |
-2.22 |
29 CF3Br ... ben 0.95 |
MP2/cc-pVTZ CP |
-3.018 |
29 CF3Br ... ben 1.00 |
MP2/cc-pVTZ CP |
-3.163 |
29 CF3Br ... ben 1.05 |
MP2/cc-pVTZ CP |
-2.984 |
29 CF3Br ... ben 1.10 |
MP2/cc-pVTZ CP |
-2.669 |
29 CF3Br ... ben 1.25 |
MP2/cc-pVTZ CP |
-1.677 |
29 CF3Br ... ben 1.50 |
MP2/cc-pVTZ CP |
-0.73 |
29 CF3Br ... ben 2.00 |
MP2/cc-pVTZ CP |
-0.188 |
30 CF3I ... ben 0.80 |
MP2/cc-pVTZ CP |
6.544 |
30 CF3I ... ben 0.85 |
MP2/cc-pVTZ CP |
0.683 |
30 CF3I ... ben 0.90 |
MP2/cc-pVTZ CP |
-2.305 |
30 CF3I ... ben 0.95 |
MP2/cc-pVTZ CP |
-3.607 |
30 CF3I ... ben 1.00 |
MP2/cc-pVTZ CP |
-3.97 |
30 CF3I ... ben 1.05 |
MP2/cc-pVTZ CP |
-3.844 |
30 CF3I ... ben 1.10 |
MP2/cc-pVTZ CP |
-3.494 |
30 CF3I ... ben 1.25 |
MP2/cc-pVTZ CP |
-2.246 |
30 CF3I ... ben 1.50 |
MP2/cc-pVTZ CP |
-0.984 |
30 CF3I ... ben 2.00 |
MP2/cc-pVTZ CP |
-0.254 |
31 trifluorometOH ... wat 0.80 |
MP2/cc-pVTZ CP |
-4.935 |
31 trifluorometOH ... wat 0.85 |
MP2/cc-pVTZ CP |
-7.456 |
31 trifluorometOH ... wat 0.90 |
MP2/cc-pVTZ CP |
-8.849 |
31 trifluorometOH ... wat 0.95 |
MP2/cc-pVTZ CP |
-9.477 |
31 trifluorometOH ... wat 1.00 |
MP2/cc-pVTZ CP |
-9.598 |
31 trifluorometOH ... wat 1.05 |
MP2/cc-pVTZ CP |
-9.392 |
31 trifluorometOH ... wat 1.10 |
MP2/cc-pVTZ CP |
-8.986 |
31 trifluorometOH ... wat 1.25 |
MP2/cc-pVTZ CP |
-7.3 |
31 trifluorometOH ... wat 1.50 |
MP2/cc-pVTZ CP |
-4.708 |
31 trifluorometOH ... wat 2.00 |
MP2/cc-pVTZ CP |
-2.031 |
32 trichlorometOH ... wat 0.80 |
MP2/cc-pVTZ CP |
-5.404 |
32 trichlorometOH ... wat 0.85 |
MP2/cc-pVTZ CP |
-8.056 |
32 trichlorometOH ... wat 0.90 |
MP2/cc-pVTZ CP |
-9.531 |
32 trichlorometOH ... wat 0.95 |
MP2/cc-pVTZ CP |
-10.207 |
32 trichlorometOH ... wat 1.00 |
MP2/cc-pVTZ CP |
-10.346 |
32 trichlorometOH ... wat 1.05 |
MP2/cc-pVTZ CP |
-10.137 |
32 trichlorometOH ... wat 1.10 |
MP2/cc-pVTZ CP |
-8.429 |
32 trichlorometOH ... wat 1.25 |
MP2/cc-pVTZ CP |
-7.896 |
32 trichlorometOH ... wat 1.50 |
MP2/cc-pVTZ CP |
-5.047 |
32 trichlorometOH ... wat 2.00 |
MP2/cc-pVTZ CP |
-2.062 |
33 HF ... methanol 0.80 |
MP2/cc-pVTZ CP |
-5.241 |
33 HF ... methanol 0.85 |
MP2/cc-pVTZ CP |
-7.644 |
33 HF ... methanol 0.90 |
MP2/cc-pVTZ CP |
-8.922 |
33 HF ... methanol 0.95 |
MP2/cc-pVTZ CP |
-9.453 |
33 HF ... methanol 1.00 |
MP2/cc-pVTZ CP |
-9.498 |
33 HF ... methanol 1.05 |
MP2/cc-pVTZ CP |
-9.237 |
33 HF ... methanol 1.10 |
MP2/cc-pVTZ CP |
-8.794 |
33 HF ... methanol 1.25 |
MP2/cc-pVTZ CP |
-7.072 |
33 HF ... methanol 1.50 |
MP2/cc-pVTZ CP |
-4.535 |
33 HF ... methanol 2.00 |
MP2/cc-pVTZ CP |
-1.971 |
34 HCl ... methanol 0.80 |
MP2/cc-pVTZ CP |
-2.784 |
34 HCl ... methanol 0.85 |
MP2/cc-pVTZ CP |
-4.598 |
34 HCl ... methanol 0.90 |
MP2/cc-pVTZ CP |
-5.63 |
34 HCl ... methanol 0.95 |
MP2/cc-pVTZ CP |
-6.125 |
34 HCl ... methanol 1.00 |
MP2/cc-pVTZ CP |
-6.259 |
34 HCl ... methanol 1.05 |
MP2/cc-pVTZ CP |
-6.157 |
34 HCl ... methanol 1.10 |
MP2/cc-pVTZ CP |
-5.906 |
34 HCl ... methanol 1.25 |
MP2/cc-pVTZ CP |
-4.793 |
34 HCl ... methanol 1.50 |
MP2/cc-pVTZ CP |
-3.048 |
34 HCl ... methanol 2.00 |
MP2/cc-pVTZ CP |
-1.271 |
35 HBr ... methanol 0.80 |
MP2/cc-pVTZ CP |
-2.213 |
35 HBr ... methanol 0.85 |
MP2/cc-pVTZ CP |
-3.782 |
35 HBr ... methanol 0.90 |
MP2/cc-pVTZ CP |
-4.695 |
35 HBr ... methanol 0.95 |
MP2/cc-pVTZ CP |
-5.151 |
35 HBr ... methanol 1.00 |
MP2/cc-pVTZ CP |
-5.294 |
35 HBr ... methanol 1.05 |
MP2/cc-pVTZ CP |
-5.228 |
35 HBr ... methanol 1.10 |
MP2/cc-pVTZ CP |
-5.029 |
35 HBr ... methanol 1.25 |
MP2/cc-pVTZ CP |
-4.095 |
35 HBr ... methanol 1.50 |
MP2/cc-pVTZ CP |
-2.59 |
35 HBr ... methanol 2.00 |
MP2/cc-pVTZ CP |
-1.054 |
36 HI ... methanol 0.80 |
MP2/cc-pVTZ CP |
-1.234 |
36 HI ... methanol 0.85 |
MP2/cc-pVTZ CP |
-2.563 |
36 HI ... methanol 0.90 |
MP2/cc-pVTZ CP |
-3.356 |
36 HI ... methanol 0.95 |
MP2/cc-pVTZ CP |
-3.77 |
36 HI ... methanol 1.00 |
MP2/cc-pVTZ CP |
-3.921 |
36 HI ... methanol 1.05 |
MP2/cc-pVTZ CP |
-3.895 |
36 HI ... methanol 1.10 |
MP2/cc-pVTZ CP |
-3.755 |
36 HI ... methanol 1.25 |
MP2/cc-pVTZ CP |
-3.043 |
36 HI ... methanol 1.50 |
MP2/cc-pVTZ CP |
-1.884 |
36 HI ... methanol 2.00 |
MP2/cc-pVTZ CP |
-0.734 |
37 HF ... methylamine 0.80 |
MP2/cc-pVTZ CP |
-9.096 |
37 HF ... methylamine 0.85 |
MP2/cc-pVTZ CP |
-11.969 |
37 HF ... methylamine 0.90 |
MP2/cc-pVTZ CP |
-13.501 |
37 HF ... methylamine 0.95 |
MP2/cc-pVTZ CP |
-14.123 |
37 HF ... methylamine 1.00 |
MP2/cc-pVTZ CP |
-14.138 |
37 HF ... methylamine 1.05 |
MP2/cc-pVTZ CP |
-13.756 |
37 HF ... methylamine 1.10 |
MP2/cc-pVTZ CP |
-13.128 |
37 HF ... methylamine 1.25 |
MP2/cc-pVTZ CP |
-10.657 |
37 HF ... methylamine 1.50 |
MP2/cc-pVTZ CP |
-6.843 |
37 HF ... methylamine 2.00 |
MP2/cc-pVTZ CP |
-2.805 |
38 HCl ... methylamine 0.80 |
MP2/cc-pVTZ CP |
-6.674 |
38 HCl ... methylamine 0.85 |
MP2/cc-pVTZ CP |
-9.078 |
38 HCl ... methylamine 0.90 |
MP2/cc-pVTZ CP |
-10.458 |
38 HCl ... methylamine 0.95 |
MP2/cc-pVTZ CP |
-11.13 |
38 HCl ... methylamine 1.00 |
MP2/cc-pVTZ CP |
-11.313 |
38 HCl ... methylamine 1.05 |
MP2/cc-pVTZ CP |
-11.162 |
38 HCl ... methylamine 1.10 |
MP2/cc-pVTZ CP |
-10.789 |
38 HCl ... methylamine 1.25 |
MP2/cc-pVTZ CP |
-9.043 |
38 HCl ... methylamine 1.50 |
MP2/cc-pVTZ CP |
-6.001 |
38 HCl ... methylamine 2.00 |
MP2/cc-pVTZ CP |
-2.47 |
39 methanol ... fluoromethane 0.80 |
MP2/cc-pVTZ CP |
-1.617 |
39 methanol ... fluoromethane 0.85 |
MP2/cc-pVTZ CP |
-2.95 |
39 methanol ... fluoromethane 0.90 |
MP2/cc-pVTZ CP |
-3.608 |
39 methanol ... fluoromethane 0.95 |
MP2/cc-pVTZ CP |
-3.846 |
39 methanol ... fluoromethane 1.00 |
MP2/cc-pVTZ CP |
-3.828 |
39 methanol ... fluoromethane 1.05 |
MP2/cc-pVTZ CP |
-3.663 |
39 methanol ... fluoromethane 1.10 |
MP2/cc-pVTZ CP |
-3.421 |
39 methanol ... fluoromethane 1.25 |
MP2/cc-pVTZ CP |
-2.592 |
39 methanol ... fluoromethane 1.50 |
MP2/cc-pVTZ CP |
-1.54 |
39 methanol ... fluoromethane 2.00 |
MP2/cc-pVTZ CP |
-0.623 |
40 methanol ... chloromethane 0.80 |
MP2/cc-pVTZ CP |
-0.142 |
40 methanol ... chloromethane 0.85 |
MP2/cc-pVTZ CP |
-2.242 |
40 methanol ... chloromethane 0.90 |
MP2/cc-pVTZ CP |
-3.301 |
40 methanol ... chloromethane 0.95 |
MP2/cc-pVTZ CP |
-3.72 |
40 methanol ... chloromethane 1.00 |
MP2/cc-pVTZ CP |
-3.761 |
40 methanol ... chloromethane 1.05 |
MP2/cc-pVTZ CP |
-3.592 |
40 methanol ... chloromethane 1.10 |
MP2/cc-pVTZ CP |
-3.319 |
40 methanol ... chloromethane 1.25 |
MP2/cc-pVTZ CP |
-2.379 |
40 methanol ... chloromethane 1.50 |
MP2/cc-pVTZ CP |
-1.086 |
40 methanol ... chloromethane 2.00 |
MP2/cc-pVTZ CP |
-0.349 |