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	hartrees
Energy at 0K	-477.984572
Energy at 298.15K
HF Energy	-477.984572
Nuclear repulsion energy	110.925502

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	3188	3026	10.33	103.43	0.67	0.80
2	A₁	3078	2922	31.99	236.93	0.00	0.00
3	A₁	1518	1441	0.10	30.22	0.75	0.86
4	A₁	1405	1334	1.87	5.08	0.24	0.38
5	A₁	1075	1021	20.64	7.82	0.57	0.73
6	A₁	720	684	3.56	14.97	0.17	0.30
7	A₁	261	248	0.04	2.19	0.61	0.76
8	A₂	3168	3007	0.00	15.20	0.75	0.86
9	A₂	1494	1418	0.00	41.39	0.75	0.86
10	A₂	974	925	0.00	7.53	0.75	0.86
11	A₂	188	178	0.00	0.11	0.75	0.86
12	B₁	3161	3001	30.23	122.06	0.75	0.86
13	B₁	1503	1427	19.12	0.00	0.75	0.86
14	B₁	1013	961	9.09	6.50	0.75	0.86
15	B₁	185	176	1.18	0.01	0.75	0.86
16	B₂	3189	3027	3.20	54.41	0.75	0.86
17	B₂	3081	2925	26.31	0.66	0.75	0.86
18	B₂	1508	1432	21.47	0.06	0.75	0.86
19	B₂	1379	1309	3.55	7.94	0.75	0.86
20	B₂	930	883	0.34	3.49	0.75	0.86
21	B₂	773	734	0.03	7.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.660
C2	0.000	1.374	-0.511
C3	0.000	-1.374	-0.511
H4	0.000	2.297	0.071
H5	0.000	-2.297	0.071
H6	0.892	1.361	-1.141
H7	-0.892	1.361	-1.141
H8	-0.892	-1.361	-1.141
H9	0.892	-1.361	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8054	1.8054	2.3713	2.3713	2.4269	2.4269	2.4269	2.4269
C2	1.8054		2.7490	1.0907	3.7173	1.0922	1.0922	2.9452	2.9452
C3	1.8054	2.7490		3.7173	1.0907	2.9452	2.9452	1.0922	1.0922
H4	2.3713	1.0907	3.7173		4.5940	1.7724	1.7724	3.9552	3.9552
H5	2.3713	3.7173	1.0907	4.5940		3.9552	3.9552	1.7724	1.7724
H6	2.4269	1.0922	2.9452	1.7724	3.9552		1.7839	3.2539	2.7214
H7	2.4269	1.0922	2.9452	1.7724	3.9552	1.7839		2.7214	3.2539
H8	2.4269	2.9452	1.0922	3.9552	1.7724	3.2539	2.7214		1.7839
H9	2.4269	2.9452	1.0922	3.9552	1.7724	2.7214	3.2539	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.342	S1	C2	H6	111.376
S1	C2	H7	111.376	S1	C3	H5	107.342
S1	C3	H8	111.376	S1	C3	H9	111.376
C2	S1	C3	99.162	H4	C2	H6	108.573
H4	C2	H7	108.573	H5	C3	H8	108.573
H5	C3	H9	108.573	H6	C2	H7	109.499
H8	C3	H9	109.499

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

using model chemistry: B1B95/6-31G*

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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Number	Element	Mulliken
1	S	0.106
2	C	-0.639
3	C	-0.639
4	H	0.202
5	H	0.202
6	H	0.192
7	H	0.192
8	H	0.192
9	H	0.192

<r²>	75.755
(<r²>)^1/2	8.704

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

using model chemistry: B1B95/6-31G*

States and conformations

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