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	hartrees
Energy at 0K	-516.287949
Energy at 298.15K	-516.296392
HF Energy	-515.769925
Nuclear repulsion energy	169.425713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3037	6.12
2	A'	3202	3020	17.56
3	A'	3113	2936	14.42
4	A'	3111	2934	13.91
5	A'	3108	2931	39.19
6	A'	1568	1479	2.12
7	A'	1556	1467	0.95
8	A'	1547	1459	14.52
9	A'	1473	1389	4.47
10	A'	1440	1358	2.80
11	A'	1367	1289	25.99
12	A'	1134	1069	3.68
13	A'	1042	983	0.46
14	A'	1016	959	8.41
15	A'	778	734	0.87
16	A'	724	683	0.51
17	A'	360	339	1.05
18	A'	207	196	0.66
19	A"	3211	3028	15.39
20	A"	3204	3022	15.22
21	A"	3164	2983	11.86
22	A"	1557	1468	8.17
23	A"	1530	1443	8.63
24	A"	1315	1240	0.03
25	A"	1105	1042	0.49
26	A"	1028	969	3.78
27	A"	823	776	4.08
28	A"	262	247	0.15
29	A"	176	166	0.34
30	A"	78	73	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.712	-1.318	0.000
H2	1.852	-2.403	0.000
H3	2.204	-0.909	0.886
H4	2.204	-0.909	-0.886
C5	0.226	-0.987	0.000
H6	-0.257	-1.411	-0.887
H7	-0.257	-1.411	0.887
S8	0.000	0.814	0.000
C9	-1.807	0.862	0.000
H10	-2.217	0.384	-0.893
H11	-2.217	0.384	0.893
H12	-2.101	1.914	0.000

	C1	H2	H3	H4	C5	H6	H7	S8	C9	H10	H11	H12
C1		1.0938	1.0931	1.0931	1.5231	2.1616	2.1616	2.7345	4.1401	4.3746	4.3746	4.9987
H2	1.0938		1.7726	1.7726	2.1563	2.4933	2.4933	3.7116	4.9037	5.0120	5.0120	5.8529
H3	1.0931	1.7726		1.7727	2.1692	3.0744	2.5115	2.9346	4.4735	4.9384	4.6067	5.2238
H4	1.0931	1.7726	1.7727		2.1692	2.5115	3.0744	2.9346	4.4735	4.6067	4.9384	5.2238
C5	1.5231	2.1563	2.1692	2.1692		1.0951	1.0951	1.8143	2.7477	2.9402	2.9402	3.7182
H6	2.1616	2.4933	3.0744	2.5115	1.0951		1.7739	2.4082	2.8905	2.6578	3.1988	3.9036
H7	2.1616	2.4933	2.5115	3.0744	1.0951	1.7739		2.4082	2.8905	3.1988	2.6578	3.9036
S8	2.7345	3.7116	2.9346	2.9346	1.8143	2.4082	2.4082		1.8076	2.4287	2.4287	2.3715
C9	4.1401	4.9037	4.4735	4.4735	2.7477	2.8905	2.8905	1.8076		1.0930	1.0930	1.0919
H10	4.3746	5.0120	4.9384	4.6067	2.9402	2.6578	3.1988	2.4287	1.0930		1.7861	1.7753
H11	4.3746	5.0120	4.6067	4.9384	2.9402	3.1988	2.6578	2.4287	1.0930	1.7861		1.7753
H12	4.9987	5.8529	5.2238	5.2238	3.7182	3.9036	3.9036	2.3715	1.0919	1.7753	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.228	C1	C5	H7	110.228
C1	C5	S8	109.728	H2	C1	H3	108.304
H2	C1	H4	108.304	H2	C1	C5	109.882
H3	C1	H4	108.360	H3	C1	C5	110.952
H4	C1	C5	110.952	C5	S8	C9	98.688
H6	C5	H7	108.174	H6	C5	S8	109.226
H7	C5	S8	109.226	S8	C9	H10	111.319
S8	C9	H11	111.319	S8	C9	H12	107.154
H10	C9	H11	109.579	H10	C9	H12	108.686
H11	C9	H12	108.686

All results from a given calculation for CH₃SCH₂CH₃ (Ethane, (methylthio)-)

using model chemistry: MP2/6-31G*

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 CH3SCH2CH3 (Ethane, (methylthio)-)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for CH₃SCH₂CH₃ (Ethane, (methylthio)-)