quack/mol/nco.xyz

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212 B
Plaintext

3
\ce{NCO},^2\Pi,CC3,aug-cc-pVTZ
N 0.00000000 0.00000000 -1.26655156
C 0.00000000 0.00000000 -0.03830257
O 0.00000000 0.00000000 1.13756443