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	hartrees
Energy at 0K	-477.994953
Energy at 298.15K
HF Energy	-477.994953
Nuclear repulsion energy	110.961864

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	3180	3042	10.03	113.11	0.64	0.78
2	A₁	3066	2933	37.25	269.91	0.00	0.00
3	A₁	1492	1427	0.65	17.28	0.72	0.84
4	A₁	1384	1324	1.41	1.59	0.74	0.85
5	A₁	1062	1016	17.59	3.16	0.47	0.64
6	A₁	717	686	3.40	18.68	0.11	0.20
7	A₁	262	251	0.01	2.71	0.64	0.78
8	A₂	3158	3021	0.00	18.27	0.75	0.86
9	A₂	1467	1403	0.00	26.22	0.75	0.86
10	A₂	961	919	0.00	2.73	0.75	0.86
11	A₂	184	176	0.00	0.21	0.75	0.86
12	B₁	3150	3014	27.33	146.67	0.75	0.86
13	B₁	1476	1412	21.67	0.00	0.75	0.86
14	B₁	998	955	6.00	1.06	0.75	0.86
15	B₁	185	177	1.29	0.00	0.75	0.86
16	B₂	3181	3043	3.24	56.09	0.75	0.86
17	B₂	3069	2936	30.26	1.85	0.75	0.86
18	B₂	1483	1418	21.72	0.01	0.75	0.86
19	B₂	1358	1299	2.38	4.27	0.75	0.86
20	B₂	919	879	0.14	2.51	0.75	0.86
21	B₂	770	737	0.00	9.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.659
C2	0.000	1.375	-0.511
C3	0.000	-1.375	-0.511
H4	0.000	2.296	0.072
H5	0.000	-2.296	0.072
H6	0.892	1.361	-1.140
H7	-0.892	1.361	-1.140
H8	-0.892	-1.361	-1.140
H9	0.892	-1.361	-1.140

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8049	1.8049	2.3699	2.3699	2.4256	2.4256	2.4256	2.4256
C2	1.8049		2.7497	1.0900	3.7169	1.0916	1.0916	2.9458	2.9458
C3	1.8049	2.7497		3.7169	1.0900	2.9458	2.9458	1.0916	1.0916
H4	2.3699	1.0900	3.7169		4.5922	1.7713	1.7713	3.9548	3.9548
H5	2.3699	3.7169	1.0900	4.5922		3.9548	3.9548	1.7713	1.7713
H6	2.4256	1.0916	2.9458	1.7713	3.9548		1.7840	3.2550	2.7226
H7	2.4256	1.0916	2.9458	1.7713	3.9548	1.7840		2.7226	3.2550
H8	2.4256	2.9458	1.0916	3.9548	1.7713	3.2550	2.7226		1.7840
H9	2.4256	2.9458	1.0916	3.9548	1.7713	2.7226	3.2550	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.310	S1	C2	H6	111.343
S1	C2	H7	111.343	S1	C3	H5	107.310
S1	C3	H8	111.343	S1	C3	H9	111.343
C2	S1	C3	99.235	H4	C2	H6	108.572
H4	C2	H7	108.572	H5	C3	H8	108.572
H5	C3	H9	108.572	H6	C2	H7	109.597
H8	C3	H9	109.597

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

using model chemistry: B1B95/6-31+G**

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	0.089
2	C	-0.604
3	C	-0.604
4	H	0.191
5	H	0.191
6	H	0.184
7	H	0.184
8	H	0.184
9	H	0.184

<r²>	76.042
(<r²>)^1/2	8.720

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

using model chemistry: B1B95/6-31+G**

States and conformations

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