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	hartrees
Energy at 0K	-476.812512
Energy at 298.15K
HF Energy	-476.812512
Nuclear repulsion energy	111.257682

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	3259	2961	18.72	95.98	0.68	0.81
2	A₁	3170	2880	37.01	311.80	0.00	0.00
3	A₁	1607	1460	0.89	9.51	0.74	0.85
4	A₁	1494	1357	1.29	0.81	0.18	0.30
5	A₁	1145	1040	11.16	1.73	0.19	0.31
6	A₁	744	675	3.57	26.40	0.11	0.20
7	A₁	284	258	0.03	2.64	0.61	0.76
8	A₂	3245	2948	0.00	18.63	0.75	0.86
9	A₂	1583	1438	0.00	11.69	0.75	0.86
10	A₂	1035	941	0.00	0.93	0.75	0.86
11	A₂	192	175	0.00	0.07	0.75	0.86
12	B₁	3241	2944	40.78	116.81	0.75	0.86
13	B₁	1593	1447	13.49	0.07	0.75	0.86
14	B₁	1071	973	3.13	0.28	0.75	0.86
15	B₁	201	183	1.03	0.13	0.75	0.86
16	B₂	3260	2961	7.64	51.79	0.75	0.86
17	B₂	3171	2881	38.68	1.12	0.75	0.86
18	B₂	1599	1453	13.60	0.07	0.75	0.86
19	B₂	1469	1335	8.84	0.00	0.75	0.86
20	B₂	990	899	0.08	0.33	0.75	0.86
21	B₂	807	733	0.77	12.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.649
C2	0.000	1.385	-0.504
C3	0.000	-1.385	-0.504
H4	0.000	2.291	0.083
H5	0.000	-2.291	0.083
H6	0.884	1.371	-1.126
H7	-0.884	1.371	-1.126
H8	-0.884	-1.371	-1.126
H9	0.884	-1.371	-1.126

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8024	1.8024	2.3602	2.3602	2.4113	2.4113	2.4113	2.4113
C2	1.8024		2.7695	1.0801	3.7226	1.0809	1.0809	2.9604	2.9604
C3	1.8024	2.7695		3.7226	1.0801	2.9604	2.9604	1.0809	1.0809
H4	2.3602	1.0801	3.7226		4.5825	1.7578	1.7578	3.9570	3.9570
H5	2.3602	3.7226	1.0801	4.5825		3.9570	3.9570	1.7578	1.7578
H6	2.4113	1.0809	2.9604	1.7578	3.9570		1.7678	3.2629	2.7426
H7	2.4113	1.0809	2.9604	1.7578	3.9570	1.7678		2.7426	3.2629
H8	2.4113	2.9604	1.0809	3.9570	1.7578	3.2629	2.7426		1.7678
H9	2.4113	2.9604	1.0809	3.9570	1.7578	2.7426	3.2629	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.260	S1	C2	H6	111.022
S1	C2	H7	111.022	S1	C3	H5	107.260
S1	C3	H8	111.022	S1	C3	H9	111.022
C2	S1	C3	100.402	H4	C2	H6	108.866
H4	C2	H7	108.866	H5	C3	H8	108.866
H5	C3	H9	108.866	H6	C2	H7	109.725
H8	C3	H9	109.725

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

using model chemistry: HF/cc-pVQZ

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	0.021
2	C	-0.288
3	C	-0.288
4	H	0.107
5	H	0.107
6	H	0.085
7	H	0.085
8	H	0.085
9	H	0.085

<r²>	76.054
(<r²>)^1/2	8.721

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

using model chemistry: HF/cc-pVQZ

States and conformations

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