diff --git a/examples/molecule.H2 b/examples/molecule.H2
index 49c8530..a38d8a2 100644
--- a/examples/molecule.H2
+++ b/examples/molecule.H2
@@ -1,5 +1,5 @@
-# nAt nEl nCore nRyd
-  2   2   0     0
+# nAt nEl nEla nElb nCore nRyd
+  2   2   1     1   0     0
 # Znuc   x            y           z
   H     0.           0.         -0.7
   H     0.           0.         +0.7