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	hartrees
Energy at 0K	-477.713798
Energy at 298.15K
HF Energy	-477.713798
Nuclear repulsion energy	110.151774

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	3084	3052	9.11	96.11	0.66	0.79
2	A₁	2971	2940	27.85	243.83	0.00	0.00
3	A₁	1435	1420	0.01	23.74	0.75	0.86
4	A₁	1310	1297	1.69	4.73	0.24	0.39
5	A₁	1015	1005	14.06	5.01	0.56	0.72
6	A₁	685	678	2.95	12.29	0.12	0.22
7	A₁	253	251	0.18	2.32	0.60	0.75
8	A₂	3061	3029	0.00	16.47	0.75	0.86
9	A₂	1410	1395	0.00	31.60	0.75	0.86
10	A₂	916	906	0.00	4.08	0.75	0.86
11	A₂	185	183	0.00	0.11	0.75	0.86
12	B₁	3052	3021	24.44	114.02	0.75	0.86
13	B₁	1420	1405	12.21	0.04	0.75	0.86
14	B₁	954	944	6.74	4.17	0.75	0.86
15	B₁	179	177	1.11	0.01	0.75	0.86
16	B₂	3085	3053	1.66	50.96	0.75	0.86
17	B₂	2975	2944	24.51	2.39	0.75	0.86
18	B₂	1427	1412	17.61	0.24	0.75	0.86
19	B₂	1284	1271	7.67	6.22	0.75	0.86
20	B₂	877	868	0.76	2.64	0.75	0.86
21	B₂	733	726	0.00	5.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.662
C2	0.000	1.386	-0.514
C3	0.000	-1.386	-0.514
H4	0.000	2.311	0.081
H5	0.000	-2.311	0.081
H6	0.901	1.370	-1.147
H7	-0.901	1.370	-1.147
H8	-0.901	-1.370	-1.147
H9	0.901	-1.370	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8176	1.8176	2.3829	2.3829	2.4422	2.4422	2.4422	2.4422
C2	1.8176		2.7715	1.0997	3.7441	1.1014	1.1014	2.9680	2.9680
C3	1.8176	2.7715		3.7441	1.0997	2.9680	2.9680	1.1014	1.1014
H4	2.3829	1.0997	3.7441		4.6217	1.7900	1.7900	3.9839	3.9839
H5	2.3829	3.7441	1.0997	4.6217		3.9839	3.9839	1.7900	1.7900
H6	2.4422	1.1014	2.9680	1.7900	3.9839		1.8019	3.2801	2.7408
H7	2.4422	1.1014	2.9680	1.7900	3.9839	1.8019		2.7408	3.2801
H8	2.4422	2.9680	1.1014	3.9839	1.7900	3.2801	2.7408		1.8019
H9	2.4422	2.9680	1.1014	3.9839	1.7900	2.7408	3.2801	1.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.945	S1	C2	H6	111.194
S1	C2	H7	111.194	S1	C3	H5	106.945
S1	C3	H8	111.194	S1	C3	H9	111.194
C2	S1	C3	99.353	H4	C2	H6	108.822
H4	C2	H7	108.822	H5	C3	H8	108.822
H5	C3	H9	108.822	H6	C2	H7	109.768
H8	C3	H9	109.768

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.110
2	C	-0.403
3	C	-0.403
4	H	0.160
5	H	0.160
6	H	0.149
7	H	0.149
8	H	0.149
9	H	0.149

<r²>	76.550
(<r²>)^1/2	8.749

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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