srDFT_SC/new/N2_avtz/data/data_DFT_avtzE_tot

12 lines
870 B
Plaintext
Raw Normal View History

2019-10-17 18:30:43 +02:00
1.6 -109.04436903 -109.08524896 -109.090704696 -109.090803579 -109.1967
1.75 -109.25229745 -109.290013913 -109.295765534 -109.295864731 -109.4116
1.9 -109.34985796 -109.385020659 -109.390985283 -109.391086464 -109.506
2.075 -109.38241351 -109.415215763 -109.421341779 -109.421447472 -109.534
2.25 -109.36733223 -109.398281029 -109.404494166 -109.404607045 -109.5156
2.75 -109.24164328 -109.268858524 -109.275029561 -109.275182389 -109.3875
3.5 -109.09354538 -109.116043174 -109.121451263 -109.12171846 -109.2457
4.0 -109.05550914 -109.076158293 -109.081021394 -109.081408294 -109.2051
5.0 -109.03816099 -109.057740872 -109.06226685 -109.062621853 -109.1781
7.0 -109.03542786 -109.054976037 -109.059406882 -109.059769836 -109.1704
10.0 -109.03465301 -109.054219473 -109.058646646 -109.059010257 -109.1698