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powellsr / Moller_Plesset2 Public

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Moller_Plesset2

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h2o_rotated.xyz

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5 lines (5 loc) · 257 Bytes

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Moller_Plesset2

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h2o_rotated.xyz

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5 lines (5 loc) · 257 Bytes

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geometry of h2o.xyz rotated by EulerMatrix[{pi/4,pi/6,pi/6}]

O -0.06698952868266053 -0.02320585345069213 -0.026795811473064216

H 0.6848346853461241 -0.6120631876157682 0.5191047657385741

H 0.37837107084596855 0.9803684653406467 -0.09382246326173704

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