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The Royal Society of Chemistry · mm//bp86/sto-6g 0.94834 -2.90981 mm//bp86/svp 1.25426 +0.64981 bp86/svp//bp86/svp 1.17581 +0.28546 bp86/svp//bp86/tzvp 1.29870 +0.98701 bp86/svp//b3lyp/svp
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