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disp3 v o c h f 6 20 42 100 1 92 46 46 8 46 45 31 31 6 31 def2-TZVP def2-TZVP def2-TZVP def2-TZVP def2-TZVP [6s4p4d1f|17s11p7d1f] [5s3p2d1f|11s6p2d1f] [5s3p2d1f|11s6p2d1f] [3s1p|5s1p] [5s3p2d1f|11s6p2d1f] c1 c1(z) ridft -0.13256461 -0.02066109 0.03609701 -0.12076310 -0.00162353 0.01810715 2023-09-08T13:14:53.108 -8929.626497550 1149.0848032000015 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