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	hartrees
Energy at 0K	-703.168134
Energy at 298.15K
HF Energy	-702.841550
Nuclear repulsion energy	347.259064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	3058	11.14
2	A	3206	3041	10.86
3	A	3203	3039	11.56
4	A	3163	3000	22.87
5	A	3112	2952	25.47
6	A	3076	2918	48.68
7	A	1556	1476	14.10
8	A	1555	1475	5.56
9	A	1540	1461	5.61
10	A	1535	1456	6.78
11	A	1504	1427	3.31
12	A	1491	1414	0.93
13	A	1212	1150	67.44
14	A	1209	1147	2.89
15	A	1200	1139	47.33
16	A	1195	1134	7.31
17	A	1187	1127	8.40
18	A	1048	994	132.06
19	A	1011	959	231.64
20	A	728	691	96.10
21	A	672	637	214.18
22	A	559	530	15.34
23	A	451	428	3.10
24	A	373	354	8.08
25	A	285	270	5.65
26	A	223	211	7.64
27	A	158	150	3.74
28	A	132	125	4.31
29	A	82	78	3.78
30	A	64	61	3.29

Atom	x (Å)	y (Å)	z (Å)
S1	-0.025	0.595	-0.482
O2	-0.058	1.381	0.755
O3	-0.887	-0.789	-0.196
O4	1.386	-0.178	-0.624
C5	-2.239	-0.587	0.239
C6	1.956	-0.797	0.550
H7	-2.678	-1.580	0.315
H8	2.950	-1.121	0.249
H9	-2.265	-0.091	1.211
H10	-2.808	0.002	-0.489
H11	2.023	-0.075	1.365
H12	1.354	-1.655	0.853

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4664	1.6550	1.6151	2.6107	2.6323	3.5218	3.5116	2.8906	2.8452	2.8381	2.9574
O2	1.4664		2.5096	2.5329	2.9823	2.9735	3.9782	3.9449	2.6919	3.3182	2.6116	3.3492
O3	1.6550	2.5096		2.3925	1.4339	2.9395	2.0234	3.8774	2.0894	2.0979	3.3783	2.6219
O4	1.6151	2.5329	2.3925		3.7484	1.4446	4.4005	2.0243	4.0875	4.2002	2.0905	2.0890
C5	2.6107	2.9823	1.4339	3.7484		4.2116	1.0888	5.2163	1.0918	1.0957	4.4375	3.7983
C6	2.6323	2.9735	2.9395	1.4446	4.2116		4.7057	1.0879	4.3309	4.9412	1.0907	1.0905
H7	3.5218	3.9782	2.0234	4.4005	1.0888	4.7057		5.6474	1.7866	1.7795	5.0465	4.0688
H8	3.5116	3.9449	3.8774	2.0243	5.2163	1.0879	5.6474		5.4027	5.9130	1.7883	1.7880
H9	2.8906	2.6919	2.0894	4.0875	1.0918	4.3309	1.7866	5.4027		1.7867	4.2912	3.9593
H10	2.8452	3.3182	2.0979	4.2002	1.0957	4.9412	1.7795	5.9130	1.7867		5.1749	4.6766
H11	2.8381	2.6116	3.3783	2.0905	4.4375	1.0907	5.0465	1.7883	4.2912	5.1749		1.7900
H12	2.9574	3.3492	2.6219	2.0890	3.7983	1.0905	4.0688	1.7880	3.9593	4.6766	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	115.198	S1	O4	C6	118.601
O2	S1	O3	106.876	O2	S1	O4	110.473
O3	S1	O4	94.040	O3	C5	H7	105.847
O3	C5	H9	110.908	O3	C5	H10	111.360
O4	C6	H8	105.265	O4	C6	H11	110.312
O4	C6	H12	110.198	H7	C5	H9	110.038
H7	C5	H10	109.092	H8	C6	H11	110.336
H8	C6	H12	110.326	H9	C5	H10	109.524
H11	C6	H12	110.299

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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: B2PLYP=FULLultrafine/6-31G*

States and conformations

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