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	hartrees
Energy at 0K	-24.400349
Energy at 298.15K
HF Energy	-24.400349
Nuclear repulsion energy	43.658857

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	3327	2988	40.20	112.32	0.72	0.84
2	A₁	3230	2901	56.12	283.41	0.01	0.01
3	A₁	1617	1452	0.13	24.38	0.74	0.85
4	A₁	1511	1357	6.47	1.62	0.02	0.04
5	A₁	1151	1034	17.38	12.58	0.52	0.68
6	A₁	755	678	4.98	35.60	0.15	0.26
7	A₁	278	250	0.02	2.43	0.64	0.78
8	A₂	3316	2978	0.00	9.83	0.75	0.86
9	A₂	1596	1433	0.00	35.10	0.75	0.86
10	A₂	1041	935	0.00	15.46	0.75	0.86
11	A₂	195	175	0.00	0.47	0.75	0.86
12	B₁	3313	2975	93.21	119.84	0.75	0.86
13	B₁	1605	1442	12.31	0.17	0.75	0.86
14	B₁	1075	965	4.81	5.70	0.75	0.86
15	B₁	201	180	1.19	0.34	0.75	0.86
16	B₂	3327	2988	19.70	56.39	0.75	0.86
17	B₂	3231	2901	68.36	0.87	0.75	0.86
18	B₂	1610	1446	13.58	0.20	0.75	0.86
19	B₂	1484	1333	17.25	1.18	0.75	0.86
20	B₂	994	893	0.03	2.35	0.75	0.86
21	B₂	817	734	1.38	21.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.660
C2	0.000	1.392	-0.513
C3	0.000	-1.392	-0.513
H4	0.000	2.309	0.073
H5	0.000	-2.309	0.073
H6	0.891	1.374	-1.140
H7	-0.891	1.374	-1.140
H8	-0.891	-1.374	-1.140
H9	0.891	-1.374	-1.140

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8206	1.8206	2.3827	2.3827	2.4334	2.4334	2.4334	2.4334
C2	1.8206		2.7842	1.0885	3.7475	1.0895	1.0895	2.9724	2.9724
C3	1.8206	2.7842		3.7475	1.0885	2.9724	2.9724	1.0895	1.0895
H4	2.3827	1.0885	3.7475		4.6185	1.7724	1.7724	3.9785	3.9785
H5	2.3827	3.7475	1.0885	4.6185		3.9785	3.9785	1.7724	1.7724
H6	2.4334	1.0895	2.9724	1.7724	3.9785		1.7815	3.2741	2.7471
H7	2.4334	1.0895	2.9724	1.7724	3.9785	1.7815		2.7471	3.2741
H8	2.4334	2.9724	1.0895	3.9785	1.7724	3.2741	2.7471		1.7815
H9	2.4334	2.9724	1.0895	3.9785	1.7724	2.7471	3.2741	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.283	S1	C2	H6	110.972
S1	C2	H7	110.972	S1	C3	H5	107.283
S1	C3	H8	110.972	S1	C3	H9	110.972
C2	S1	C3	99.746	H4	C2	H6	108.927
H4	C2	H7	108.927	H5	C3	H8	108.927
H5	C3	H9	108.927	H6	C2	H7	109.687
H8	C3	H9	109.687

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	S	-0.099
2	C	-0.380
3	C	-0.380
4	H	0.161
5	H	0.161
6	H	0.135
7	H	0.135
8	H	0.135
9	H	0.135

<r²>	63.250
(<r²>)^1/2	7.953

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

using model chemistry: HF/CEP-31G*

States and conformations

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