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	hartrees
Energy at 0K	-477.982154
Energy at 298.15K
HF Energy	-477.982154
Nuclear repulsion energy	110.899283

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	3167	3167	9.17	96.96	0.67	0.80
2	A₁	3052	3052	27.45	220.67	0.00	0.00
3	A₁	1493	1493	0.11	22.60	0.75	0.86
4	A₁	1376	1376	1.01	1.71	0.31	0.47
5	A₁	1059	1059	13.76	4.82	0.54	0.70
6	A₁	716	716	3.09	16.57	0.12	0.22
7	A₁	271	271	0.10	2.02	0.62	0.77
8	A₂	3146	3146	0.00	13.04	0.75	0.86
9	A₂	1469	1469	0.00	29.72	0.75	0.86
10	A₂	960	960	0.00	3.30	0.75	0.86
11	A₂	186	186	0.00	0.09	0.75	0.86
12	B₁	3139	3139	24.64	110.98	0.75	0.86
13	B₁	1480	1480	14.57	0.03	0.75	0.86
14	B₁	997	997	5.54	3.35	0.75	0.86
15	B₁	192	192	0.98	0.02	0.75	0.86
16	B₂	3168	3168	2.97	48.33	0.75	0.86
17	B₂	3056	3056	25.40	0.55	0.75	0.86
18	B₂	1485	1485	16.52	0.04	0.75	0.86
19	B₂	1352	1352	5.51	3.27	0.75	0.86
20	B₂	918	918	0.67	1.67	0.75	0.86
21	B₂	769	769	0.06	7.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.660
C2	0.000	1.375	-0.512
C3	0.000	-1.375	-0.512
H4	0.000	2.298	0.071
H5	0.000	-2.298	0.071
H6	0.894	1.353	-1.140
H7	-0.894	1.353	-1.140
H8	-0.894	-1.353	-1.140
H9	0.894	-1.353	-1.140

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8067	1.8067	2.3721	2.3721	2.4232	2.4232	2.4232	2.4232
C2	1.8067		2.7499	1.0914	3.7186	1.0929	1.0929	2.9388	2.9388
C3	1.8067	2.7499		3.7186	1.0914	2.9388	2.9388	1.0929	1.0929
H4	2.3721	1.0914	3.7186		4.5955	1.7771	1.7771	3.9491	3.9491
H5	2.3721	3.7186	1.0914	4.5955		3.9491	3.9491	1.7771	1.7771
H6	2.4232	1.0929	2.9388	1.7771	3.9491		1.7878	3.2436	2.7064
H7	2.4232	1.0929	2.9388	1.7771	3.9491	1.7878		2.7064	3.2436
H8	2.4232	2.9388	1.0929	3.9491	1.7771	3.2436	2.7064		1.7878
H9	2.4232	2.9388	1.0929	3.9491	1.7771	2.7064	3.2436	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.284	S1	C2	H6	110.969
S1	C2	H7	110.969	S1	C3	H5	107.284
S1	C3	H8	110.969	S1	C3	H9	110.969
C2	S1	C3	99.108	H4	C2	H6	108.892
H4	C2	H7	108.892	H5	C3	H8	108.892
H5	C3	H9	108.892	H6	C2	H7	109.758
H8	C3	H9	109.758

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

using model chemistry: wB97X-D/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	-0.112
2	C	-0.427
3	C	-0.427
4	H	0.170
5	H	0.170
6	H	0.157
7	H	0.157
8	H	0.157
9	H	0.157

<r²>	75.657
(<r²>)^1/2	8.698

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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