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c h s 22 10 4 25 4 36 15 2 18 def2-mSVP def2-mSVP def2-mSVP [4s2p1d|8s4p1d] [2s|4s] [4s3p1d|10s7p1d] c1 c1(z) c1 c1(z) ChemShell job 392.49539999999985 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