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	hartrees
Energy at 0K	-474.769096
Energy at 298.15K
HF Energy	-474.456504
Nuclear repulsion energy	110.319612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	2978	10.48
2	A₁	3104	2901	24.37
3	A₁	1601	1496	0.66
4	A₁	1489	1391	0.55
5	A₁	1131	1057	19.58
6	A₁	706	659	2.96
7	A₁	279	261	0.04
8	A₂	3177	2969	0.00
9	A₂	1578	1474	0.00
10	A₂	1035	967	0.00
11	A₂	195	182	0.00
12	B₁	3173	2965	30.21
13	B₁	1587	1483	20.70
14	B₁	1069	999	8.46
15	B₁	194	181	1.10
16	B₂	3187	2978	4.41
17	B₂	3104	2900	22.65
18	B₂	1593	1489	18.87
19	B₂	1467	1371	1.17
20	B₂	995	929	0.30
21	B₂	759	709	0.12

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.668
C2	0.000	1.381	-0.518
C3	0.000	-1.381	-0.518
H4	0.000	2.310	0.056
H5	0.000	-2.310	0.056
H6	0.892	1.353	-1.147
H7	-0.892	1.353	-1.147
H8	-0.892	-1.353	-1.147
H9	0.892	-1.353	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8206	1.8206	2.3894	2.3894	2.4336	2.4336	2.4336	2.4336
C2	1.8206		2.7617	1.0917	3.7348	1.0920	1.0920	2.9438	2.9438
C3	1.8206	2.7617		3.7348	1.0917	2.9438	2.9438	1.0920	1.0920
H4	2.3894	1.0917	3.7348		4.6192	1.7771	1.7771	3.9569	3.9569
H5	2.3894	3.7348	1.0917	4.6192		3.9569	3.9569	1.7771	1.7771
H6	2.4336	1.0920	2.9438	1.7771	3.9569		1.7847	3.2416	2.7060
H7	2.4336	1.0920	2.9438	1.7771	3.9569	1.7847		2.7060	3.2416
H8	2.4336	2.9438	1.0920	3.9569	1.7771	3.2416	2.7060		1.7847
H9	2.4336	2.9438	1.0920	3.9569	1.7771	2.7060	3.2416	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.614	S1	C2	H6	110.852
S1	C2	H7	110.852	S1	C3	H5	107.614
S1	C3	H8	110.852	S1	C3	H9	110.852
C2	S1	C3	98.656	H4	C2	H6	108.930
H4	C2	H7	108.930	H5	C3	H8	108.930
H5	C3	H9	108.930	H6	C2	H7	109.602
H8	C3	H9	109.602

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)

using model chemistry: CISD/3-21G*

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 CH3SCH3 (Dimethyl sulfide)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)