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	hartrees
Energy at 0K	-477.190678
Energy at 298.15K
HF Energy	-476.744776
Nuclear repulsion energy	111.241072

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	3253	3039	10.84	91.19	0.70	0.82
2	A₁	3132	2926	27.67	210.56	0.00	0.00
3	A₁	1552	1450	0.02	28.36	0.75	0.86
4	A₁	1446	1351	2.49	4.22	0.24	0.38
5	A₁	1099	1027	17.35	7.55	0.58	0.73
6	A₁	742	694	2.56	15.18	0.16	0.28
7	A₁	279	260	0.01	1.90	0.62	0.76
8	A₂	3237	3025	0.00	11.09	0.75	0.86
9	A₂	1520	1420	0.00	39.32	0.75	0.86
10	A₂	1006	940	0.00	6.52	0.75	0.86
11	A₂	181	169	0.00	0.11	0.75	0.86
12	B₁	3231	3019	27.82	105.57	0.75	0.86
13	B₁	1531	1431	14.24	0.00	0.75	0.86
14	B₁	1044	976	6.65	6.10	0.75	0.86
15	B₁	193	180	0.93	0.01	0.75	0.86
16	B₂	3254	3040	3.29	45.14	0.75	0.86
17	B₂	3136	2930	22.45	0.00	0.75	0.86
18	B₂	1542	1441	17.52	0.01	0.75	0.86
19	B₂	1420	1327	5.54	6.60	0.75	0.86
20	B₂	959	896	0.10	2.61	0.75	0.86
21	B₂	797	745	0.01	8.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.365	-0.514
C3	0.000	-1.365	-0.514
H4	0.000	2.290	0.055
H5	0.000	-2.290	0.055
H6	0.888	1.344	-1.142
H7	-0.888	1.344	-1.142
H8	-0.888	-1.344	-1.142
H9	0.888	-1.344	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8029	1.8029	2.3699	2.3699	2.4196	2.4196	2.4196	2.4196
C2	1.8029		2.7295	1.0862	3.6989	1.0874	1.0874	2.9184	2.9184
C3	1.8029	2.7295		3.6989	1.0862	2.9184	2.9184	1.0874	1.0874
H4	2.3699	1.0862	3.6989		4.5804	1.7651	1.7651	3.9273	3.9273
H5	2.3699	3.6989	1.0862	4.5804		3.9273	3.9273	1.7651	1.7651
H6	2.4196	1.0874	2.9184	1.7651	3.9273		1.7753	3.2206	2.6872
H7	2.4196	1.0874	2.9184	1.7651	3.9273	1.7753		2.6872	3.2206
H8	2.4196	2.9184	1.0874	3.9273	1.7651	3.2206	2.6872		1.7753
H9	2.4196	2.9184	1.0874	3.9273	1.7651	2.6872	3.2206	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.626	S1	C2	H6	111.256
S1	C2	H7	111.256	S1	C3	H5	107.626
S1	C3	H8	111.256	S1	C3	H9	111.256
C2	S1	C3	98.394	H4	C2	H6	108.594
H4	C2	H7	108.594	H5	C3	H8	108.594
H5	C3	H9	108.594	H6	C2	H7	109.426
H8	C3	H9	109.426

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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