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	hartrees
Energy at 0K	-665.440678
Energy at 298.15K	-665.451298
Nuclear repulsion energy	354.783668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3332	3008	3.04
2	A	3321	2998	1.46
3	A	3301	2979	13.22
4	A	3282	2962	4.14
5	A	3265	2947	23.92
6	A	3229	2914	4.02
7	A	3222	2908	2.06
8	A	3202	2890	22.07
9	A	1632	1473	6.86
10	A	1625	1467	7.83
11	A	1591	1436	10.08
12	A	1584	1430	3.14
13	A	1579	1425	3.48
14	A	1552	1400	0.88
15	A	1508	1361	20.44
16	A	1466	1324	67.44
17	A	1432	1293	205.21
18	A	1378	1244	12.16
19	A	1243	1122	194.09
20	A	1172	1058	3.22
21	A	1167	1053	19.06
22	A	1084	979	39.16
23	A	1077	972	2.22
24	A	1051	949	8.71
25	A	881	795	64.29
26	A	812	733	10.01
27	A	734	662	11.29
28	A	553	499	37.23
29	A	494	446	55.42
30	A	440	397	10.04
31	A	347	313	1.29
32	A	308	278	2.08
33	A	240	216	2.26
34	A	228	205	1.19
35	A	209	188	0.34
36	A	93	84	3.21

Atom	x (Å)	y (Å)	z (Å)
C1	2.274	0.186	0.052
H2	2.276	-0.001	1.118
H3	3.204	-0.183	-0.365
H4	2.244	1.258	-0.112
C5	1.106	-0.528	-0.619
H6	1.180	-1.603	-0.497
H7	1.045	-0.324	-1.681
C8	-0.796	1.552	-0.317
H9	-0.780	1.690	-1.389
H10	-1.784	1.773	0.065
H11	-0.067	2.181	0.174
S12	-0.494	-0.152	0.072
O13	-0.405	-0.264	1.504
O14	-1.459	-0.937	-0.650

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	S12	O13	O14
C1		1.0821	1.0841	1.0845	1.5245	2.1677	2.1852	3.3805	3.6966	4.3576	3.0778	2.7891	3.0797	3.9613
H2	1.0821		1.7589	1.7602	2.1596	2.5254	3.0752	3.7295	4.2993	4.5545	3.3378	2.9654	2.7213	4.2376
H3	1.0841	1.7589		1.7496	2.1409	2.4754	2.5322	4.3604	4.5196	5.3753	4.0713	3.7241	4.0645	4.7322
H4	1.0845	1.7602	1.7496		2.1774	3.0763	2.5300	3.0615	3.3109	4.0651	2.5049	3.0858	3.4560	4.3384
C5	1.5245	2.1596	2.1409	2.1774		1.0843	1.0837	2.8349	3.0117	3.7576	3.0563	1.7834	2.6185	2.5980
H6	2.1677	2.5254	2.4754	3.0763	1.0843		1.7485	3.7274	3.9347	4.5284	4.0400	2.2877	2.8823	2.7267
H7	2.1852	3.0752	2.5322	2.5300	1.0837	1.7485		2.9615	2.7332	3.9310	3.3088	2.3397	3.4998	2.7770
C8	3.3805	3.7295	4.3604	3.0615	2.8349	3.7274	2.9615		1.0813	1.0821	1.0804	1.7739	2.6010	2.5972
H9	3.6966	4.2993	4.5196	3.3109	3.0117	3.9347	2.7332	1.0813		1.7692	1.7861	2.3687	3.5110	2.8123
H10	4.3576	4.5545	5.3753	4.0651	3.7576	4.5284	3.9310	1.0821	1.7692		1.7681	2.3179	2.8505	2.8221
H11	3.0778	3.3378	4.0713	2.5049	3.0563	4.0400	3.3088	1.0804	1.7861	1.7681		2.3739	2.8037	3.5123
S12	2.7891	2.9654	3.7241	3.0858	1.7834	2.2877	2.3397	1.7739	2.3687	2.3179	2.3739		1.4386	1.4382
O13	3.0797	2.7213	4.0645	3.4560	2.6185	2.8823	3.4998	2.6010	3.5110	2.8505	2.8037	1.4386		2.4905
O14	3.9613	4.2376	4.7322	4.3384	2.5980	2.7267	2.7770	2.5972	2.8123	2.8221	3.5123	1.4382	2.4905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.263	C1	C5	H7	112.726
C1	C5	S12	114.726	H2	C1	H3	108.581
H2	C1	H4	108.661	H2	C1	C5	110.747
H3	C1	H4	107.566	H3	C1	C5	109.145
H4	C1	C5	112.031	C5	S12	C8	105.677
C5	S12	O13	108.248	C5	S12	O14	107.015
H6	C5	H7	107.504	H6	C5	S12	103.112
H7	C5	S12	106.830	C8	S12	O13	107.670
C8	S12	O14	107.454	H9	C8	H10	109.731
H9	C8	H11	111.430	H9	C8	S12	109.723
H10	C8	H11	109.694	H10	C8	S12	105.951
H11	C8	S12	110.164	O13	S12	O14	119.935

All results from a given calculation for C₃H₈O₂S ((Methylsulfonyl)ethane)

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	C	-0.366	-0.127
2	H	0.171	0.058
3	H	0.142	0.063
4	H	0.122	0.037
5	C	-0.474	-0.104
6	H	0.195	0.093
7	H	0.169	0.055
8	C	-0.579	-0.466
9	H	0.168	0.148
10	H	0.197	0.187
11	H	0.170	0.145
12	S	1.456	1.184
13	O	-0.688	-0.625
14	O	-0.683	-0.650

	x	y	z	Total
	3.406	3.165	-2.389	5.227
CHELPG
AIM
ESP

	x	y	z
x	7.969	-0.180	0.049
y	-0.180	7.248	0.031
z	0.049	0.031	6.954

<r²>	189.666
(<r²>)^1/2	13.772

All results from a given calculation for C3H8O2S ((Methylsulfonyl)ethane)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₃H₈O₂S ((Methylsulfonyl)ethane)