H2O2.mol 4 3 0 0 0 0 0 0 0 0 0 -0.7398 0.0487 0.2471 O 0 0 0 0 0 0.7428 -0.0606 0.2370 O 0 0 0 0 0 -0.8411 0.8915 -0.2443 H 0 0 0 0 0 0.8392 -0.8754 -0.3007 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0