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--- exercises:2015_ethz_mmm:reaction_energy [2015/04/16 14:46] – [Appendix] oschuett
+++ exercises:2015_ethz_mmm:reaction_energy [2015/04/16 15:30] – [1.Step] oschuett
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 ===== Questions =====
-  * Report the total energy for all the molecules, and the overall reaction energy for CH$_4$ combustion.
+  - What are the total energies of O$_2$, H$_2$O, CO$_2$, and CH$_4$?
-  * (Optional) Compute the total energy for O$_2$ singlet and the energy difference with O$_2$ triplet.
+  - What is the overall reaction energy of the CH$_4$ combustion?
+  - **(Optional)** What is the total energy difference between the O$_2$ singlet and triplet state?
 ===== Appendix =====
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 ==== Coordinates for O$_2$ ====
 <code>
 O         4.4720538104        4.7584649515        4.9999999998
 O         5.5279461896        5.2415350485        4.9999999995
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 ==== Coordinates for CO$_2$ ====
 <code>
   C         4.9999776408        4.9999662056        4.9999894728
   O         5.6486993295        5.9339540261        5.0004691016
@@ Line 230: / Line 227: @@
 ==== Coordinates for H$_2$O ====
 <code>
   O         4.6926974603        4.7525411835        4.6307067609
   H         5.6350172910        4.8022721035        4.7052454388