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	hartrees
Energy at 0K	-702.252547
Energy at 298.15K
HF Energy	-701.251867
Nuclear repulsion energy	346.818330

Atom	x (Å)	y (Å)	z (Å)
S1	-0.025	0.600	-0.483
O2	-0.070	1.377	0.764
O3	-0.882	-0.790	-0.200
O4	1.390	-0.169	-0.622
C5	-2.238	-0.593	0.236
C6	1.955	-0.802	0.551
H7	-2.669	-1.587	0.301
H8	2.945	-1.121	0.243
H9	-2.265	-0.107	1.210
H10	-2.803	-0.002	-0.489
H11	2.024	-0.090	1.370
H12	1.353	-1.660	0.841

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4699	1.6577	1.6163	2.6153	2.6369	3.5200	3.5081	2.8953	2.8426	2.8475	2.9595
O2	1.4699		2.5072	2.5384	2.9768	2.9826	3.9691	3.9499	2.6865	3.3073	2.6279	3.3551
O3	1.6577	2.5072		2.3934	1.4382	2.9351	2.0199	3.8671	2.0897	2.0965	3.3771	2.6148
O4	1.6163	2.5384	2.3934		3.7528	1.4475	4.3982	2.0179	4.0890	4.1987	2.0925	2.0896
C5	2.6153	2.9768	1.4382	3.7528		4.2109	1.0852	5.2106	1.0890	1.0924	4.4399	3.7955
C6	2.6369	2.9826	2.9351	1.4475	4.2109		4.6975	1.0845	4.3277	4.9359	1.0882	1.0879
H7	3.5200	3.9691	2.0199	4.3982	1.0852	4.6975		5.6343	1.7830	1.7763	5.0414	4.0593
H8	3.5081	3.9499	3.8671	2.0179	5.2106	1.0845	5.6343		5.3953	5.9017	1.7839	1.7843
H9	2.8953	2.6865	2.0897	4.0890	1.0890	4.3277	1.7830	5.3953		1.7848	4.2923	3.9548
H10	2.8426	3.3073	2.0965	4.1987	1.0924	4.9359	1.7763	5.9017	1.7848		5.1737	4.6684
H11	2.8475	2.6279	3.3771	2.0925	4.4399	1.0882	5.0414	1.7839	4.2923	5.1737		1.7881
H12	2.9595	3.3551	2.6148	2.0896	3.7955	1.0879	4.0593	1.7843	3.9548	4.6684	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	115.114	S1	O4	C6	118.682
O2	S1	O3	106.421	O2	S1	O4	110.588
O3	S1	O4	93.940	O3	C5	H7	105.494
O3	C5	H9	110.802	O3	C5	H10	111.146
O4	C6	H8	104.770	O4	C6	H11	110.413
O4	C6	H12	110.198	H7	C5	H9	110.189
H7	C5	H10	109.316	H8	C6	H11	110.378
H8	C6	H12	110.441	H9	C5	H10	109.809
H11	C6	H12	110.504

All results from a given calculation for C₂H₆O₃S (Sulfurous acid, dimethyl ester)

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 C2H6O3S (Sulfurous acid, dimethyl ester)

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

States and conformations

All results from a given calculation for C₂H₆O₃S (Sulfurous acid, dimethyl ester)