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	hartrees
Energy at 0K	-476.771822
Energy at 298.15K
HF Energy	-476.771822
Nuclear repulsion energy	110.972088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3286	2972	23.77	112.28	0.70	0.83
2	A₁	3195	2890	48.60	245.54	0.00	0.01
3	A₁	1624	1469	0.26	21.30	0.73	0.84
4	A₁	1520	1375	4.92	0.57	0.49	0.66
5	A₁	1160	1049	21.09	4.33	0.43	0.61
6	A₁	744	673	5.38	27.46	0.16	0.28
7	A₁	286	258	0.00	2.53	0.62	0.77
8	A₂	3273	2960	0.00	16.07	0.75	0.86
9	A₂	1603	1449	0.00	28.37	0.75	0.86
10	A₂	1052	951	0.00	5.74	0.75	0.86
11	A₂	198	179	0.00	0.12	0.75	0.86
12	B₁	3269	2957	59.29	135.37	0.75	0.86
13	B₁	1614	1460	15.65	0.08	0.75	0.86
14	B₁	1090	986	10.98	2.40	0.75	0.86
15	B₁	206	186	1.13	0.12	0.75	0.86
16	B₂	3286	2972	12.55	57.66	0.75	0.86
17	B₂	3196	2890	46.45	0.03	0.75	0.86
18	B₂	1616	1461	16.13	0.01	0.75	0.86
19	B₂	1493	1350	9.36	1.35	0.75	0.86
20	B₂	1005	909	0.05	1.73	0.75	0.86
21	B₂	805	728	1.06	16.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.654
C2	0.000	1.386	-0.508
C3	0.000	-1.386	-0.508
H4	0.000	2.296	0.075
H5	0.000	-2.296	0.075
H6	0.885	1.372	-1.131
H7	-0.885	1.372	-1.131
H8	-0.885	-1.372	-1.131
H9	0.885	-1.372	-1.131

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8084	1.8084	2.3679	2.3679	2.4188	2.4188	2.4188	2.4188
C2	1.8084		2.7714	1.0812	3.7277	1.0820	1.0820	2.9621	2.9621
C3	1.8084	2.7714		3.7277	1.0812	2.9621	2.9621	1.0820	1.0820
H4	2.3679	1.0812	3.7277		4.5922	1.7584	1.7584	3.9612	3.9612
H5	2.3679	3.7277	1.0812	4.5922		3.9612	3.9612	1.7584	1.7584
H6	2.4188	1.0820	2.9621	1.7584	3.9612		1.7693	3.2646	2.7435
H7	2.4188	1.0820	2.9621	1.7584	3.9612	1.7693		2.7435	3.2646
H8	2.4188	2.9621	1.0820	3.9612	1.7584	3.2646	2.7435		1.7693
H9	2.4188	2.9621	1.0820	3.9612	1.7584	2.7435	3.2646	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.372	S1	C2	H6	111.103
S1	C2	H7	111.103	S1	C3	H5	107.372
S1	C3	H8	111.103	S1	C3	H9	111.103
C2	S1	C3	100.033	H4	C2	H6	108.746
H4	C2	H7	108.746	H5	C3	H8	108.746
H5	C3	H9	108.746	H6	C2	H7	109.686
H8	C3	H9	109.686

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

using model chemistry: HF/6-311G*

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
1	S	0.096
2	C	-0.757
3	C	-0.757
4	H	0.242
5	H	0.242
6	H	0.233
7	H	0.233
8	H	0.233
9	H	0.233

	x	y	z	Total
	0.000	0.000	-1.850	1.850
CHELPG
AIM
ESP	0.036	0.000	-1.833	1.834

<r²>	76.525
(<r²>)^1/2	8.748

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

using model chemistry: HF/6-311G*

States and conformations

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