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sources / cclib-data / 1.6.2-2 / data / Gaussian / basicGaussian16 / water_mp4sdq.com
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%chk=water_mp4sdq #P MP4(SDQ)/STO-3G Density Pop=(Full,NaturalOrbitals) Water 0 1 O H 1 R1 H 1 R1 2 A1 R1=0.99 A1=106.0