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	hartrees
Energy at 0K	-31.305769
Energy at 298.15K	-31.313861
HF Energy	-30.976369
Nuclear repulsion energy	68.783885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3048	15.90
2	A'	3074	3001	38.03
3	A'	2997	2925	31.99
4	A'	2986	2915	42.99
5	A'	2974	2902	42.18
6	A'	1521	1485	3.36
7	A'	1501	1465	0.48
8	A'	1492	1456	9.91
9	A'	1457	1422	5.92
10	A'	1403	1370	3.70
11	A'	1342	1310	35.10
12	A'	1098	1072	4.16
13	A'	1005	981	2.66
14	A'	984	961	7.25
15	A'	685	669	1.05
16	A'	637	622	0.80
17	A'	325	318	1.26
18	A'	183	178	0.68
19	A"	3110	3035	21.75
20	A"	3092	3018	62.77
21	A"	3067	2993	2.85
22	A"	1507	1471	9.26
23	A"	1472	1437	10.20
24	A"	1276	1246	0.00
25	A"	1069	1043	0.62
26	A"	985	961	3.35
27	A"	796	777	3.75
28	A"	247	241	0.07
29	A"	110	107	0.45
30	A"	41	40	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	1.778	-1.357	0.000
H2	1.933	-2.449	0.000
H3	2.268	-0.938	0.894
H4	2.268	-0.938	-0.894
C5	0.255	-1.040	0.000
H6	-0.232	-1.450	-0.900
H7	-0.232	-1.450	0.900
S8	0.000	0.854	0.000
C9	-1.903	0.875	0.000
H10	-2.289	0.381	-0.904
H11	-2.289	0.381	0.904
H12	-2.207	1.931	0.000

	C1	H2	H3	H4	C5	H6	H7	S8	C9	H10	H11	H12
C1		1.1035	1.1021	1.1021	1.5551	2.2038	2.2038	2.8370	4.3048	4.5141	4.5141	5.1661
H2	1.1035		1.7874	1.7874	2.1915	2.5489	2.5489	3.8276	5.0764	5.1632	5.1632	6.0274
H3	1.1021	1.7874		1.7876	2.2044	3.1189	2.5516	3.0256	4.6351	5.0733	4.7441	5.3904
H4	1.1021	1.7874	1.7876		2.2044	2.5516	3.1189	3.0256	4.6351	4.7441	5.0733	5.3904
C5	1.5551	2.1915	2.2044	2.2044		1.1024	1.1024	1.9108	2.8853	3.0513	3.0513	3.8585
H6	2.2038	2.5489	3.1189	2.5516	1.1024		1.7997	2.4841	3.0013	2.7541	3.2923	4.0175
H7	2.2038	2.5489	2.5516	3.1189	1.1024	1.7997		2.4841	3.0013	3.2923	2.7541	4.0175
S8	2.8370	3.8276	3.0256	3.0256	1.9108	2.4841	2.4841		1.9033	2.5059	2.5059	2.4558
C9	4.3048	5.0764	4.6351	4.6351	2.8853	3.0013	3.0013	1.9033		1.0998	1.0998	1.0988
H10	4.5141	5.1632	5.0733	4.7441	3.0513	2.7541	3.2923	2.5059	1.0998		1.8082	1.7957
H11	4.5141	5.1632	4.7441	5.0733	3.0513	3.2923	2.7541	2.5059	1.0998	1.8082		1.7957
H12	5.1661	6.0274	5.3904	5.3904	3.8585	4.0175	4.0175	2.4558	1.0988	1.7957	1.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.901	C1	C5	H7	110.901
C1	C5	S8	109.457	H2	C1	H3	108.272
H2	C1	H4	108.272	H2	C1	C5	109.879
H3	C1	H4	108.394	H3	C1	C5	110.968
H4	C1	C5	110.968	C5	S8	C9	98.312
H6	C5	H7	109.418	H6	C5	S8	108.037
H7	C5	S8	108.037	S8	C9	H10	110.226
S8	C9	H11	110.226	S8	C9	H12	106.684
H10	C9	H11	110.579	H10	C9	H12	109.522
H11	C9	H12	109.522

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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