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	hartrees
Energy at 0K	-128.413673
Energy at 298.15K	-128.421807
HF Energy	-128.097889
Nuclear repulsion energy	103.831761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3057	14.81
2	A'	3126	3011	35.16
3	A'	3054	2941	30.46
4	A'	3043	2931	44.85
5	A'	3027	2915	37.85
6	A'	1539	1482	4.59
7	A'	1521	1465	3.95
8	A'	1511	1455	6.55
9	A'	1462	1409	8.98
10	A'	1416	1364	0.84
11	A'	1357	1306	24.97
12	A'	1105	1064	3.44
13	A'	1010	973	3.98
14	A'	997	960	8.65
15	A'	682	657	0.37
16	A'	639	615	0.19
17	A'	337	324	1.19
18	A'	190	183	0.91
19	A"	3163	3047	26.31
20	A"	3142	3026	67.04
21	A"	3119	3004	3.38
22	A"	1527	1471	9.61
23	A"	1501	1446	9.91
24	A"	1298	1250	0.35
25	A"	1086	1046	0.08
26	A"	1003	966	5.75
27	A"	818	787	6.26
28	A"	242	233	0.06
29	A"	122	118	0.49
30	A"	56	54	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.774	-1.359	0.000
H2	1.923	-2.454	0.000
H3	2.268	-0.942	0.895
H4	2.268	-0.942	-0.895
C5	0.254	-1.033	0.000
H6	-0.236	-1.446	-0.899
H7	-0.236	-1.446	0.899
S8	0.000	0.855	0.000
C9	-1.897	0.871	0.000
H10	-2.285	0.374	-0.903
H11	-2.285	0.374	0.903
H12	-2.205	1.928	0.000

	C1	H2	H3	H4	C5	H6	H7	S8	C9	H10	H11	H12
C1		1.1051	1.1040	1.1040	1.5542	2.2033	2.2033	2.8365	4.2945	4.5042	4.5042	5.1601
H2	1.1051		1.7901	1.7901	2.1918	2.5461	2.5461	3.8266	5.0636	5.1490	5.1490	6.0191
H3	1.1040	1.7901		1.7897	2.2061	3.1215	2.5547	3.0293	4.6300	5.0691	4.7395	5.3894
H4	1.1040	1.7901	1.7897		2.2061	2.5547	3.1215	3.0293	4.6300	4.7395	5.0691	5.3894
C5	1.5542	2.1918	2.2061	2.2061		1.1042	1.1042	1.9043	2.8720	3.0395	3.0395	3.8480
H6	2.2033	2.5461	3.1215	2.5547	1.1042		1.7976	2.4816	2.9891	2.7405	3.2797	4.0082
H7	2.2033	2.5461	2.5547	3.1215	1.1042	1.7976		2.4816	2.9891	3.2797	2.7405	4.0082
S8	2.8365	3.8266	3.0293	3.0293	1.9043	2.4816	2.4816		1.8968	2.5031	2.5031	2.4518
C9	4.2945	5.0636	4.6300	4.6300	2.8720	2.9891	2.9891	1.8968		1.1012	1.1012	1.1007
H10	4.5042	5.1490	5.0691	4.7395	3.0395	2.7405	3.2797	2.5031	1.1012		1.8061	1.7986
H11	4.5042	5.1490	4.7395	5.0691	3.0395	3.2797	2.7405	2.5031	1.1012	1.8061		1.7986
H12	5.1601	6.0191	5.3894	5.3894	3.8480	4.0082	4.0082	2.4518	1.1007	1.7986	1.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.815	C1	C5	H7	110.815
C1	C5	S8	109.781	H2	C1	H3	108.256
H2	C1	H4	108.256	H2	C1	C5	109.859
H3	C1	H4	108.294	H3	C1	C5	111.042
H4	C1	C5	111.042	C5	S8	C9	98.152
H6	C5	H7	108.978	H6	C5	S8	108.186
H7	C5	S8	108.186	S8	C9	H10	110.387
S8	C9	H11	110.387	S8	C9	H12	106.730
H10	C9	H11	110.185	H10	C9	H12	109.543
H11	C9	H12	109.543

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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