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	hartrees
Energy at 0K	-694.950489
Energy at 298.15K	-694.958427
Nuclear repulsion energy	327.325351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3266	3022	13.26
2	A	3173	2936	7.70
3	A	2880	2665	30.13
4	A	1629	1507	2.95
5	A	1616	1495	9.68
6	A	1476	1365	35.58
7	A	1208	1118	5.84
8	A	1148	1062	0.57
9	A	1050	972	6.29
10	A	995	920	15.70
11	A	600	555	3.21
12	A	494	457	7.07
13	A	411	380	5.94
14	A	363	336	5.34
15	A	202	187	2.35
16	A	100	92	0.10
17	A	3265	3021	9.61
18	A	3172	2934	9.97
19	A	2856	2642	73.29
20	A	1613	1493	3.49
21	A	1609	1488	27.53
22	A	1457	1348	0.10
23	A	1202	1112	13.41
24	A	1147	1061	0.25
25	A	1037	959	27.25
26	A	494	457	27.56
27	A	466	431	16.14
28	A	384	355	42.28
29	A	349	323	6.01
30	A	119	110	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	-0.669	-0.753	0.000
O2	-1.262	0.765	0.000
O3	0.616	-0.637	1.445
O4	0.616	-0.637	-1.445
C5	0.616	0.774	1.877
C6	0.616	0.774	-1.877
H7	0.374	0.851	2.965
H8	0.374	0.851	-2.965
H9	1.601	1.264	1.677
H10	-0.200	1.299	1.268
H11	-0.200	1.299	-1.268
H12	1.601	1.264	-1.677

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6288	1.9375	1.9375	2.7395	2.7395	3.5288	3.5288	3.4688	2.4567	2.4567	3.4688
O2	1.6288		2.7528	2.7528	2.6548	2.6548	3.3878	3.3878	3.3550	1.7375	1.7375	3.3550
O3	1.9375	2.7528		2.8910	1.4753	3.6096	2.1402	4.6612	2.1534	2.1081	3.4313	3.7856
O4	1.9375	2.7528	2.8910		3.6096	1.4753	4.6612	2.1402	3.7856	3.4313	2.1081	2.1534
C5	2.7395	2.6548	1.4753	3.6096		3.7540	1.1176	4.8491	1.1186	1.1457	3.2909	3.7201
C6	2.7395	2.6548	3.6096	1.4753	3.7540		4.8491	1.1176	3.7201	3.2909	1.1457	1.1186
H7	3.5288	3.3878	2.1402	4.6612	1.1176	4.8491		5.9309	1.8269	1.8476	4.2954	4.8193
H8	3.5288	3.3878	4.6612	2.1402	4.8491	1.1176	5.9309		4.8193	4.2954	1.8476	1.8269
H9	3.4688	3.3550	2.1534	3.7856	1.1186	3.7201	1.8269	4.8193		1.8477	3.4519	3.3532
H10	2.4567	1.7375	2.1081	3.4313	1.1457	3.2909	1.8476	4.2954	1.8477		2.5353	3.4519
H11	2.4567	1.7375	3.4313	2.1081	3.2909	1.1457	4.2954	1.8476	3.4519	2.5353		1.8477
H12	3.4688	3.3550	3.7856	2.1534	3.7201	1.1186	4.8193	1.8269	3.3532	3.4519	1.8477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	105.987	S1	O4	C6	105.987
O2	S1	O3	100.690	O2	S1	O4	100.690
O3	S1	O4	96.498	O3	C5	H7	110.509
O3	C5	H9	111.494	O3	C5	H10	106.409
O4	C6	H8	110.509	O4	C6	H11	106.409
O4	C6	H12	111.494	H7	C5	H9	109.569
H7	C5	H10	109.426	H8	C6	H11	109.426
H8	C6	H12	109.569	H9	C5	H10	109.367
H11	C6	H12	109.367

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

using model chemistry: BLYP/STO-3G

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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Number	Element	Mulliken
1	S	0.526
2	O	-0.255
3	O	-0.182
4	O	-0.182
5	C	-0.170
6	C	-0.170
7	H	0.068
8	H	0.068
9	H	0.066
10	H	0.082
11	H	0.082
12	H	0.066

	x	y	z	Total
	-0.776	0.184	0.000	0.798
CHELPG
AIM
ESP

	x	y	z
x	4.153	0.194	0.000
y	0.194	3.945	0.000
z	0.000	0.000	7.416

<r²>	197.945
(<r²>)^1/2	14.069

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

using model chemistry: BLYP/STO-3G

States and conformations

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