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	hartrees
Energy at 0K	-666.406444
Energy at 298.15K
HF Energy	-665.444057
Nuclear repulsion energy	350.812681

Atom	x (Å)	y (Å)	z (Å)
C1	2.266	0.153	0.040
H2	2.265	-0.041	1.111
H3	3.198	-0.223	-0.382
H4	2.238	1.230	-0.121
C5	1.093	-0.549	-0.629
H6	1.151	-1.632	-0.506
H7	1.028	-0.337	-1.698
C8	-0.733	1.573	-0.319
H9	-0.713	1.707	-1.398
H10	-1.716	1.833	0.070
H11	0.029	2.175	0.171
S12	-0.503	-0.151	0.078
O13	-0.390	-0.258	1.533
O14	-1.508	-0.912	-0.665

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	S12	O13	O14
C1		1.0883	1.0894	1.0896	1.5218	2.1739	2.1892	3.3376	3.6554	4.3219	3.0184	2.7864	3.0748	3.9843
H2	1.0883		1.7696	1.7706	2.1585	2.5266	3.0831	3.6925	4.2686	4.5210	3.2853	2.9565	2.6971	4.2598
H3	1.0894	1.7696		1.7608	2.1440	2.4880	2.5401	4.3219	4.4783	5.3453	4.0118	3.7304	4.0672	4.7644
H4	1.0896	1.7706	1.7608		2.1749	3.0850	2.5303	2.9964	3.2505	4.0034	2.4196	3.0755	3.4432	4.3485
C5	1.5218	2.1585	2.1440	2.1749		1.0916	1.0911	2.8166	2.9904	3.7484	3.0317	1.7913	2.6387	2.6268
H6	2.1739	2.5266	2.4880	3.0850	1.0916		1.7642	3.7222	3.9266	4.5333	4.0259	2.2957	2.9017	2.7593
H7	2.1892	3.0831	2.5401	2.5303	1.0911	1.7642		2.9416	2.7021	3.9196	3.2865	2.3529	3.5297	2.7982
C8	3.3376	3.6925	4.3219	2.9964	2.8166	3.7222	2.9416		1.0879	1.0884	1.0874	1.7841	2.6267	2.6259
H9	3.6554	4.2686	4.4783	3.2505	2.9904	3.9266	2.7021	1.0879		1.7819	1.7979	2.3823	3.5436	2.8328
H10	4.3219	4.5210	5.3453	4.0034	3.7484	4.5333	3.9196	1.0884	1.7819		1.7811	2.3249	2.8755	2.8486
H11	3.0184	3.2853	4.0118	2.4196	3.0317	4.0259	3.2865	1.0874	1.7979	1.7811		2.3882	2.8199	3.5482
S12	2.7864	2.9565	3.7304	3.0755	1.7913	2.2957	2.3529	1.7841	2.3823	2.3249	2.3882		1.4632	1.4630
O13	3.0748	2.6971	4.0672	3.4432	2.6387	2.9017	3.5297	2.6267	3.5436	2.8755	2.8199	1.4632		2.5513
O14	3.9843	4.2598	4.7644	4.3485	2.6268	2.7593	2.7982	2.6259	2.8328	2.8486	3.5482	1.4630	2.5513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.511	C1	C5	H7	112.789
C1	C5	S12	114.257	H2	C1	H3	108.700
H2	C1	H4	108.777	H2	C1	C5	110.478
H3	C1	H4	107.817	H3	C1	C5	109.263
H4	C1	C5	111.723	C5	S12	C8	103.954
C5	S12	O13	107.927	C5	S12	O14	107.210
H6	C5	H7	107.852	H6	C5	S12	102.853
H7	C5	S12	106.912	C8	S12	O13	107.562
C8	S12	O14	107.524	H9	C8	H10	109.927
H9	C8	H11	111.487	H9	C8	S12	109.704
H10	C8	H11	109.893	H10	C8	S12	105.490
H11	C8	S12	110.168	O13	S12	O14	121.360

All results from a given calculation for C₃H₈O₂S ((Methylsulfonyl)ethane)

using model chemistry: MP2/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H8O2S ((Methylsulfonyl)ethane)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₃H₈O₂S ((Methylsulfonyl)ethane)