quack/mol/ch3.xyz

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287 B
Plaintext

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\ce{CH3},^2A_2^{\prime\prime},CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 0.00000000
H 0.00000000 0.00000000 1.07623800
H 0.00000000 0.93205000 -0.53811900
H 0.00000000 -0.93205000 -0.53811900