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	hartrees
Energy at 0K	-478.088595
Energy at 298.15K
HF Energy	-478.088595
Nuclear repulsion energy	110.504825

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	3125	3016	13.08	98.46	0.64	0.78
2	A₁	3025	2920	36.13	362.28	0.00	0.00
3	A₁	1495	1443	0.44	8.10	0.75	0.86
4	A₁	1364	1317	1.07	0.57	0.28	0.44
5	A₁	1051	1015	9.32	0.29	0.19	0.32
6	A₁	687	663	2.96	19.18	0.08	0.15
7	A₁	251	242	0.07	3.56	0.63	0.77
8	A₂	3104	2996	0.00	23.59	0.75	0.86
9	A₂	1473	1422	0.00	11.24	0.75	0.86
10	A₂	949	916	0.00	0.21	0.75	0.86
11	A₂	182	176	0.00	0.12	0.75	0.86
12	B₁	3097	2989	30.36	138.16	0.75	0.86
13	B₁	1483	1431	12.14	0.05	0.75	0.86
14	B₁	986	951	3.55	0.01	0.75	0.86
15	B₁	175	169	0.93	0.06	0.75	0.86
16	B₂	3126	3017	3.65	53.40	0.75	0.86
17	B₂	3028	2923	31.13	6.60	0.75	0.86
18	B₂	1488	1436	14.84	0.24	0.75	0.86
19	B₂	1340	1293	7.70	0.26	0.75	0.86
20	B₂	908	876	0.21	0.25	0.75	0.86
21	B₂	738	713	0.16	7.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.660
C2	0.000	1.386	-0.513
C3	0.000	-1.386	-0.513
H4	0.000	2.301	0.079
H5	0.000	-2.301	0.079
H6	0.894	1.366	-1.139
H7	-0.894	1.366	-1.139
H8	-0.894	-1.366	-1.139
H9	0.894	-1.366	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8159	1.8159	2.3732	2.3732	2.4288	2.4288	2.4288	2.4288
C2	1.8159		2.7726	1.0895	3.7345	1.0909	1.0909	2.9609	2.9609
C3	1.8159	2.7726		3.7345	1.0895	2.9609	2.9609	1.0909	1.0909
H4	2.3732	1.0895	3.7345		4.6020	1.7759	1.7759	3.9661	3.9661
H5	2.3732	3.7345	1.0895	4.6020		3.9661	3.9661	1.7759	1.7759
H6	2.4288	1.0909	2.9609	1.7759	3.9661		1.7873	3.2653	2.7327
H7	2.4288	1.0909	2.9609	1.7759	3.9661	1.7873		2.7327	3.2653
H8	2.4288	2.9609	1.0909	3.9661	1.7759	3.2653	2.7327		1.7873
H9	2.4288	2.9609	1.0909	3.9661	1.7759	2.7327	3.2653	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.857	S1	C2	H6	110.873
S1	C2	H7	110.873	S1	C3	H5	106.857
S1	C3	H8	110.873	S1	C3	H9	110.873
C2	S1	C3	99.532	H4	C2	H6	109.073
H4	C2	H7	109.073	H5	C3	H8	109.073
H5	C3	H9	109.073	H6	C2	H7	110.009
H8	C3	H9	110.009

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

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.169
2	C	-0.281
3	C	-0.281
4	H	0.101
5	H	0.101
6	H	0.132
7	H	0.132
8	H	0.132
9	H	0.132

<r²>	76.556
(<r²>)^1/2	8.750

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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