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	hartrees
Energy at 0K	-476.910357
Energy at 298.15K
HF Energy	-476.667025
Nuclear repulsion energy	107.187303

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	3205	3067	11.18	91.65	0.71	0.83
2	A₁	3088	2955	25.32	202.80	0.00	0.01
3	A₁	1555	1488	0.50	33.94	0.74	0.85
4	A₁	1444	1381	2.57	2.33	0.26	0.42
5	A₁	1088	1041	21.54	12.32	0.67	0.81
6	A₁	649	621	2.22	25.56	0.17	0.29
7	A₁	250	239	0.03	2.76	0.66	0.79
8	A₂	3195	3057	0.00	9.73	0.75	0.86
9	A₂	1531	1465	0.00	47.07	0.75	0.86
10	A₂	999	956	0.00	12.23	0.75	0.86
11	A₂	159	152	0.00	0.09	0.75	0.86
12	B₁	3190	3053	32.78	104.40	0.75	0.86
13	B₁	1540	1474	20.41	0.06	0.75	0.86
14	B₁	1030	986	8.41	9.21	0.75	0.86
15	B₁	161	154	0.89	0.04	0.75	0.86
16	B₂	3206	3067	4.36	47.23	0.75	0.86
17	B₂	3092	2958	23.89	0.71	0.75	0.86
18	B₂	1546	1480	17.59	0.00	0.75	0.86
19	B₂	1420	1359	5.21	3.31	0.75	0.86
20	B₂	964	922	0.06	2.49	0.75	0.86
21	B₂	703	673	0.52	14.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.693
C2	0.000	1.434	-0.543
C3	0.000	-1.434	-0.543
H4	0.000	2.355	0.047
H5	0.000	-2.355	0.047
H6	0.899	1.396	-1.167
H7	-0.899	1.396	-1.167
H8	-0.899	-1.396	-1.167
H9	0.899	-1.396	-1.167

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8929	1.8929	2.4422	2.4422	2.4929	2.4929	2.4929	2.4929
C2	1.8929		2.8679	1.0941	3.8349	1.0948	1.0948	3.0342	3.0342
C3	1.8929	2.8679		3.8349	1.0941	3.0342	3.0342	1.0948	1.0948
H4	2.4422	1.0941	3.8349		4.7106	1.7892	1.7892	4.0441	4.0441
H5	2.4422	3.8349	1.0941	4.7106		4.0441	4.0441	1.7892	1.7892
H6	2.4929	1.0948	3.0342	1.7892	4.0441		1.7980	3.3211	2.7923
H7	2.4929	1.0948	3.0342	1.7892	4.0441	1.7980		2.7923	3.3211
H8	2.4929	3.0342	1.0948	4.0441	1.7892	3.3211	2.7923		1.7980
H9	2.4929	3.0342	1.0948	4.0441	1.7892	2.7923	3.3211	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.607	S1	C2	H6	110.226
S1	C2	H7	110.226	S1	C3	H5	106.607
S1	C3	H8	110.226	S1	C3	H9	110.226
C2	S1	C3	98.493	H4	C2	H6	109.654
H4	C2	H7	109.654	H5	C3	H8	109.654
H5	C3	H9	109.654	H6	C2	H7	110.399
H8	C3	H9	110.399

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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