GMTKN30 SIE11
-------------
References
^^^^^^^^^^
| GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30
| L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k

Molecules
^^^^^^^^^
na
but+
he+
f2
li_f2
he2+
c2h4
ethyl
aceton+
nh3
bz
c2h4_f2
h2o+
ch3
li
nh3+
acetyl
nh3_clf
nh32+
mgo
bz_li
h2o
clclf
he
clfcl
clf
ethyl+
h2o2+
naomg

Reactions
^^^^^^^^^
| 1: he2+ -> he + he+, energy = 0.0915364667136
| 2: nh32+ -> nh3 + nh3+, energy = 0.05631787488960001
| 3: h2o2+ -> h2o + h2o+, energy = 0.05936165364
| 4: but+ -> ethyl + ethyl+, energy = 0.056222258803200004
| 5: aceton+ -> ch3 + acetyl, energy = 0.0359675845008
| 6: clfcl -> clclf, energy = -0.0016095374544000001
| 7: c2h4_f2 -> c2h4 + f2, energy = 0.0017210895552000002
| 8: bz_li -> li + bz, energy = 0.01513921368
| 9: nh3_clf -> nh3 + clf, energy = 0.01673281512
| 10: naomg -> mgo + na, energy = 0.1108509161664
| 11: li_f2 -> li + f2, energy = 0.15037223187840001