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	hartrees
Energy at 0K	-703.677599
Energy at 298.15K	-703.685422
HF Energy	-703.677599
Nuclear repulsion energy	350.034157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3050	12.39
2	A	3146	3036	11.71
3	A	3142	3032	12.50
4	A	3106	2997	23.29
5	A	3054	2947	30.05
6	A	3021	2916	53.66
7	A	1518	1465	10.48
8	A	1514	1461	5.27
9	A	1501	1448	4.60
10	A	1499	1446	5.26
11	A	1464	1413	2.06
12	A	1454	1403	1.06
13	A	1214	1172	117.09
14	A	1187	1145	1.77
15	A	1184	1143	0.56
16	A	1173	1132	3.22
17	A	1164	1124	2.02
18	A	1026	991	130.92
19	A	983	948	207.46
20	A	732	707	84.52
21	A	667	644	195.16
22	A	561	542	10.96
23	A	456	440	1.74
24	A	379	365	6.26
25	A	278	268	5.34
26	A	219	212	6.59
27	A	136	131	5.07
28	A	120	115	0.19
29	A	101	98	3.40
30	A	54	52	2.86

Atom	x (Å)	y (Å)	z (Å)
S1	-0.015	0.626	-0.485
O2	-0.057	1.328	0.800
O3	-0.882	-0.793	-0.261
O4	1.403	-0.166	-0.629
C5	-2.208	-0.578	0.244
C6	1.889	-0.820	0.564
H7	-2.634	-1.574	0.379
H8	2.934	-1.051	0.355
H9	-2.178	-0.049	1.200
H10	-2.821	-0.016	-0.472
H11	1.810	-0.145	1.419
H12	1.320	-1.734	0.746

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4648	1.6778	1.6301	2.6055	2.6105	3.5276	3.4948	2.8243	2.8786	2.7470	2.9769
O2	1.4648		2.5106	2.5312	2.9270	2.9081	3.9034	3.8477	2.5604	3.3259	2.4567	3.3572
O3	1.6778	2.5106		2.3980	1.4344	2.8916	2.0217	3.8746	2.0901	2.0992	3.2387	2.5974
O4	1.6301	2.5312	2.3980		3.7374	1.4451	4.3924	2.0244	4.0235	4.2292	2.0887	2.0870
C5	2.6055	2.9270	1.4344	3.7374		4.1167	1.0917	5.1651	1.0938	1.0971	4.2085	3.7458
C6	2.6105	2.9081	2.8916	1.4451	4.1167		4.5893	1.0904	4.1889	4.8892	1.0928	1.0920
H7	3.5276	3.9034	2.0217	4.3924	1.0917	4.5893		5.5928	1.7910	1.7850	4.7825	3.9738
H8	3.4948	3.8477	3.8746	2.0244	5.1651	1.0904	5.5928		5.2783	5.9057	1.7939	1.7960
H9	2.8243	2.5604	2.0901	4.0235	1.0938	4.1889	1.7910	5.2783		1.7916	3.9955	3.9094
H10	2.8786	3.3259	2.0992	4.2292	1.0971	4.8892	1.7850	5.9057	1.7916		5.0035	4.6452
H11	2.7470	2.4567	3.2387	2.0887	4.2085	1.0928	4.7825	1.7939	3.9955	5.0035		1.7944
H12	2.9769	3.3572	2.5974	2.0870	3.7458	1.0920	3.9738	1.7960	3.9094	4.6452	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	113.462	S1	O4	C6	116.051
O2	S1	O3	105.847	O2	S1	O4	109.627
O3	S1	O4	92.911	O3	C5	H7	105.525
O3	C5	H9	110.807	O3	C5	H10	111.343
O4	C6	H8	105.102	O4	C6	H11	110.002
O4	C6	H12	109.914	H7	C5	H9	110.075
H7	C5	H10	109.284	H8	C6	H11	110.507
H8	C6	H12	110.763	H9	C5	H10	109.724
H11	C6	H12	110.429

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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