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	hartrees
Energy at 0K	-71.722281
Energy at 298.15K	-71.729324
HF Energy	-71.125359
Nuclear repulsion energy	139.278611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3086	9.74
2	A	3192	3084	41.18
3	A	3151	3044	63.82
4	A	3148	3042	12.59
5	A	3034	2931	65.38
6	A	3032	2929	14.93
7	A	1526	1475	2.18
8	A	1519	1468	19.48
9	A	1507	1457	14.94
10	A	1500	1449	5.29
11	A	1467	1418	7.11
12	A	1460	1411	2.18
13	A	1154	1115	0.86
14	A	1153	1114	0.05
15	A	1127	1089	0.13
16	A	1125	1087	0.47
17	A	1016	982	174.41
18	A	911	880	119.69
19	A	907	877	54.89
20	A	526	509	77.99
21	A	484	467	192.83
22	A	471	455	57.28
23	A	385	372	17.62
24	A	247	238	8.63
25	A	234	226	17.21
26	A	224	216	20.37
27	A	135	131	1.10
28	A	95	92	2.05
29	A	88	85	3.95
30	A	31	30	2.25

Atom	x (Å)	y (Å)	z (Å)
S1	-0.002	-0.941	-0.353
O2	0.003	-1.093	1.245
O3	1.423	0.194	-0.766
O4	-1.433	0.187	-0.758
C5	1.900	1.081	0.355
C6	-1.893	1.089	0.358
H7	2.965	1.252	0.119
H8	-2.955	1.275	0.122
H9	1.330	2.031	0.343
H10	1.794	0.573	1.337
H11	-1.792	0.585	1.342
H12	-1.308	2.030	0.339

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6054	1.8680	1.8665	2.8653	2.8638	3.7202	3.7228	3.3308	2.8937	2.8998	3.3187
O2	1.6054		2.7775	2.7774	3.0191	3.0233	3.9424	3.9523	3.5117	2.4472	2.4593	3.5063
O3	1.8680	2.7775		2.8560	1.5072	3.6136	2.0691	4.5965	2.1481	2.1683	3.8644	3.4717
O4	1.8665	2.7774	2.8560		3.6264	1.5074	4.6098	2.0682	3.5002	3.8666	2.1682	2.1488
C5	2.8653	3.0191	1.5072	3.6264		3.7929	1.1045	4.8651	1.1080	1.1102	3.8538	3.3461
C6	2.8638	3.0233	3.6136	1.5074	3.7929		4.8666	1.1045	3.3578	3.8489	1.1100	1.1080
H7	3.7202	3.9424	2.0691	4.6098	1.1045	4.8666		5.9208	1.8249	1.8215	4.9572	4.3495
H8	3.7228	3.9523	4.5965	2.0682	4.8651	1.1045	5.9208		4.3575	4.9521	1.8216	1.8247
H9	3.3308	3.5117	2.1481	3.5002	1.1080	3.3578	1.8249	4.3575		1.8242	3.5828	2.6387
H10	2.8937	2.4472	2.1683	3.8666	1.1102	3.8489	1.8215	4.9521	1.8242		3.5858	3.5698
H11	2.8998	2.4593	3.8644	2.1682	3.8538	1.1100	4.9572	1.8216	3.5828	3.5858		1.8244
H12	3.3187	3.5063	3.4717	2.1488	3.3461	1.1080	4.3495	1.8247	2.6387	3.5698	1.8244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	115.774	S1	O4	C6	115.760
O2	S1	O3	105.946	O2	S1	O4	106.007
O3	S1	O4	99.774	O3	C5	H7	103.720
O3	C5	H9	109.499	O3	C5	H10	110.967
O4	C6	H8	103.644	O4	C6	H11	110.954
O4	C6	H12	109.546	H7	C5	H9	111.140
H7	C5	H10	110.669	H8	C6	H11	110.688
H8	C6	H12	111.127	H9	C5	H10	110.652
H11	C6	H12	110.681

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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