diff --git a/data_AS/tetrazine_opt.dat b/data_AS/tetrazine_opt.dat index f212a6d..d12e430 100644 --- a/data_AS/tetrazine_opt.dat +++ b/data_AS/tetrazine_opt.dat @@ -21,7 +21,6 @@ 2621440 -295.4805208764 -0.0638969713 0.0001277184 -0.0633233539 0.0001265718 5242880 -295.4930614999 -0.0549999937 0.0001100207 -0.0545866622 0.0001091939 10485760 -295.5043957965 -0.0474227878 0.0000916723 -0.0471243088 0.0000910953 - 20971520 -295.5145155229 -0.0401949748 0.0000778491 -0.0399864883 0.0000774453 20971520 -295.5145155231 -0.0403462562 0.0000783588 -0.0401362260 0.0000779509 41943040 -295.5233970070 -0.0342300943 0.0000675299 -0.0340832612 0.0000672402 83886080 -295.5310677084 -0.0288541710 0.0003223874 -0.0287527301 0.0003212540