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	hartrees
Energy at 0K	-471.616575
Energy at 298.15K
HF Energy	-471.480537
Nuclear repulsion energy	110.125953

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	3540	3146	2.76	42.06	0.70	0.82
2	A₁	3346	2974	3.95	69.93	0.01	0.01
3	A₁	1743	1549	0.03	27.74	0.74	0.85
4	A₁	1610	1431	0.96	3.22	0.68	0.81
5	A₁	1171	1041	11.07	6.66	0.63	0.77
6	A₁	858	763	0.24	14.38	0.17	0.29
7	A₁	317	282	0.23	1.04	0.57	0.72
8	A₂	3516	3125	0.00	4.41	0.75	0.86
9	A₂	1726	1534	0.00	35.07	0.75	0.86
10	A₂	1084	964	0.00	4.47	0.75	0.86
11	A₂	181	161	0.00	0.07	0.75	0.86
12	B₁	3513	3123	13.64	42.74	0.75	0.86
13	B₁	1726	1534	4.57	0.50	0.75	0.86
14	B₁	1112	988	0.22	4.14	0.75	0.86
15	B₁	182	162	0.47	0.00	0.75	0.86
16	B₂	3539	3146	0.24	20.83	0.75	0.86
17	B₂	3348	2976	5.03	0.60	0.75	0.86
18	B₂	1741	1548	6.11	0.11	0.75	0.86
19	B₂	1585	1409	17.56	5.01	0.75	0.86
20	B₂	1047	930	0.01	1.00	0.75	0.86
21	B₂	912	811	0.21	8.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.681
C2	0.000	1.363	-0.522
C3	0.000	-1.363	-0.522
H4	0.000	2.319	0.028
H5	0.000	-2.319	0.028
H6	0.893	1.345	-1.173
H7	-0.893	1.345	-1.173
H8	-0.893	-1.345	-1.173
H9	0.893	-1.345	-1.173

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8178	1.8178	2.4094	2.4094	2.4588	2.4588	2.4588	2.4588
C2	1.8178		2.7251	1.1032	3.7224	1.1055	1.1055	2.9244	2.9244
C3	1.8178	2.7251		3.7224	1.1032	2.9244	2.9244	1.1055	1.1055
H4	2.4094	1.1032	3.7224		4.6382	1.7857	1.7857	3.9578	3.9578
H5	2.4094	3.7224	1.1032	4.6382		3.9578	3.9578	1.7857	1.7857
H6	2.4588	1.1055	2.9244	1.7857	3.9578		1.7864	3.2289	2.6897
H7	2.4588	1.1055	2.9244	1.7857	3.9578	1.7864		2.6897	3.2289
H8	2.4588	2.9244	1.1055	3.9578	1.7857	3.2289	2.6897		1.7864
H9	2.4588	2.9244	1.1055	3.9578	1.7857	2.6897	3.2289	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	108.671	S1	C2	H6	112.207
S1	C2	H7	112.207	S1	C3	H5	108.671
S1	C3	H8	112.207	S1	C3	H9	112.207
C2	S1	C3	97.102	H4	C2	H6	107.898
H4	C2	H7	107.898	H5	C3	H8	107.898
H5	C3	H9	107.898	H6	C2	H7	107.787
H8	C3	H9	107.787

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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