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	hartrees
Energy at 0K	-477.228610
Energy at 298.15K
HF Energy	-476.744846
Nuclear repulsion energy	111.057551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3257	12.85
2	A₁	3145	3145	29.36
3	A₁	1557	1557	0.00
4	A₁	1454	1454	2.53
5	A₁	1102	1102	16.84
6	A₁	739	739	2.18
7	A₁	280	280	0.00
8	A₂	3240	3240	0.00
9	A₂	1527	1527	0.00
10	A₂	1007	1007	0.00
11	A₂	178	178	0.00
12	B₁	3234	3234	33.12
13	B₁	1538	1538	13.55
14	B₁	1045	1045	5.64
15	B₁	188	188	0.85
16	B₂	3257	3257	5.38
17	B₂	3148	3148	23.77
18	B₂	1549	1549	16.35
19	B₂	1429	1429	5.83
20	B₂	961	961	0.03
21	B₂	794	794	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.369	-0.515
C3	0.000	-1.369	-0.515
H4	0.000	2.293	0.054
H5	0.000	-2.293	0.054
H6	0.887	1.347	-1.142
H7	-0.887	1.347	-1.142
H8	-0.887	-1.347	-1.142
H9	0.887	-1.347	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8074	1.8074	2.3729	2.3729	2.4222	2.4222	2.4222	2.4222
C2	1.8074		2.7382	1.0851	3.7060	1.0864	1.0864	2.9255	2.9255
C3	1.8074	2.7382		3.7060	1.0851	2.9255	2.9255	1.0864	1.0864
H4	2.3729	1.0851	3.7060		4.5859	1.7641	1.7641	3.9330	3.9330
H5	2.3729	3.7060	1.0851	4.5859		3.9330	3.9330	1.7641	1.7641
H6	2.4222	1.0864	2.9255	1.7641	3.9330		1.7738	3.2259	2.6945
H7	2.4222	1.0864	2.9255	1.7641	3.9330	1.7738		2.6945	3.2259
H8	2.4222	2.9255	1.0864	3.9330	1.7641	3.2259	2.6945		1.7738
H9	2.4222	2.9255	1.0864	3.9330	1.7641	2.6945	3.2259	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.610	S1	C2	H6	111.198
S1	C2	H7	111.198	S1	C3	H5	107.610
S1	C3	H8	111.198	S1	C3	H9	111.198
C2	S1	C3	98.489	H4	C2	H6	108.657
H4	C2	H7	108.657	H5	C3	H8	108.657
H5	C3	H9	108.657	H6	C2	H7	109.437
H8	C3	H9	109.437

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

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

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