Pittsburgh Supercomputing Center 

Advancing the state-of-the-art in high-performance computing,
communications and data analytics.


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Note:  the blank lines at the end of this file are necessary.

#p RHF/6-31G* OPT
Gaussian example: geometry optimization of water
0 1
H 1 R
H 1 R 2 A
R 0.96
A 104.