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XBig12= 1.87D-15 1.30D-09.
      1 vectors produced by pass841 Test12= 1.46D-13 1.00D-09 XBig12= 1.67D-15 1.28D-09.
      1 vectors produced by pass842 Test12= 1.46D-13 1.00D-09 XBig12= 1.79D-15 1.23D-09.
Applied DIIS recursively to reduced A of dimension  5988.

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3Â¥: Originally posted by nedved33 at 2012-04-22 22:56:00:
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