. 2021 May 3;60(10):7399–7412. doi: 10.1021/acs.inorgchem.1c00640

Table 12. DLPNO-CCSD HFC Decomposition for ³³S HFCs (in MHz).

	A_iso	A_min	A_mid	A_max
1-center	21.94	28.97	13.49	–42.46
2-center pc	–0.17	–0.70	0.28	0.42
2-center bond	–1.82	0.01	–0.09	0.08
3-center	0.12	0.04	–0.01	–0.03
total	20.07	28.32	13.66	–41.98

Table 12. DLPNO-CCSD HFC Decomposition for 33S HFCs (in MHz).