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	hartrees
Energy at 0K	-702.702619
Energy at 298.15K	-702.710625
HF Energy	-701.421934
Nuclear repulsion energy	350.679118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3066	4.83
2	A	3204	3053	4.98
3	A	3195	3045	5.62
4	A	3160	3011	13.01
5	A	3095	2949	27.96
6	A	3066	2922	39.98
7	A	1530	1458	13.55
8	A	1529	1457	7.62
9	A	1513	1442	7.94
10	A	1511	1440	7.88
11	A	1474	1404	0.37
12	A	1467	1398	0.45
13	A	1228	1170	149.22
14	A	1198	1141	6.21
15	A	1194	1138	2.33
16	A	1182	1126	2.32
17	A	1179	1123	1.40
18	A	1041	992	110.50
19	A	1014	966	261.55
20	A	749	714	98.79
21	A	690	657	219.87
22	A	571	544	14.18
23	A	458	437	2.41
24	A	390	372	6.35
25	A	292	278	5.62
26	A	229	219	6.35
27	A	156	149	4.88
28	A	134	128	2.34
29	A	92	88	4.62
30	A	72	68	2.48

Atom	x (Å)	y (Å)	z (Å)
S1	-0.020	0.594	-0.489
O2	-0.072	1.341	0.773
O3	-0.885	-0.814	-0.225
O4	1.414	-0.162	-0.631
C5	-2.220	-0.558	0.241
C6	1.916	-0.788	0.572
H7	-2.669	-1.535	0.392
H8	2.958	-1.002	0.362
H9	-2.199	-0.006	1.179
H10	-2.795	-0.004	-0.502
H11	1.832	-0.103	1.413
H12	1.365	-1.703	0.768

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4673	1.6740	1.6273	2.5892	2.6046	3.5111	3.4844	2.8090	2.8391	2.7450	2.9626
O2	1.4673		2.5110	2.5376	2.9168	2.9197	3.8943	3.8523	2.5507	3.2946	2.4741	3.3663
O3	1.6740	2.5110		2.4236	1.4377	2.9125	2.0206	3.8922	2.0861	2.0936	3.2517	2.6154
O4	1.6273	2.5376	2.4236		3.7583	1.4462	4.4271	2.0191	4.0440	4.2140	2.0878	2.0821
C5	2.5892	2.9168	1.4377	3.7583		4.1562	1.0854	5.1990	1.0882	1.0913	4.2432	3.8007
C6	2.6046	2.9197	2.9125	1.4462	4.1562		4.6492	1.0844	4.2326	4.8956	1.0879	1.0861
H7	3.5111	3.8943	2.0206	4.4271	1.0854	4.6492		5.6524	1.7828	1.7777	4.8327	4.0553
H8	3.4844	3.8523	3.8922	2.0191	5.1990	1.0844	5.6524		5.3157	5.9030	1.7836	1.7872
H9	2.8090	2.5507	2.0861	4.0440	1.0882	4.2326	1.7828	5.3157		1.7838	4.0393	3.9689
H10	2.8391	3.2946	2.0936	4.2140	1.0913	4.8956	1.7777	5.9030	1.7838		5.0094	4.6704
H11	2.7450	2.4741	3.2517	2.0878	4.2432	1.0879	4.8327	1.7836	4.0393	5.0094		1.7868
H12	2.9626	3.3663	2.6154	2.0821	3.8007	1.0861	4.0553	1.7872	3.9689	4.6704	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	112.405	S1	O4	C6	115.742
O2	S1	O3	105.947	O2	S1	O4	110.065
O3	S1	O4	94.456	O3	C5	H7	105.571
O3	C5	H9	110.598	O3	C5	H10	111.019
O4	C6	H8	104.955	O4	C6	H11	110.155
O4	C6	H12	109.797	H7	C5	H9	110.208
H7	C5	H10	109.504	H8	C6	H11	110.390
H8	C6	H12	110.852	H9	C5	H10	109.861
H11	C6	H12	110.555

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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