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	hartrees
Energy at 0K	-476.765465
Energy at 298.15K
HF Energy	-476.765465
Nuclear repulsion energy	110.541802

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	3276	2988	19.06	94.09	0.69	0.81
2	A₁	3175	2895	38.82	320.83	0.00	0.00
3	A₁	1578	1439	1.07	7.80	0.74	0.85
4	A₁	1468	1338	1.48	2.21	0.04	0.08
5	A₁	1130	1030	10.29	0.71	0.16	0.28
6	A₁	738	673	4.29	31.43	0.10	0.17
7	A₁	280	255	0.05	2.82	0.62	0.77
8	A₂	3263	2975	0.00	18.39	0.75	0.86
9	A₂	1556	1419	0.00	10.18	0.75	0.86
10	A₂	1018	928	0.00	0.19	0.75	0.86
11	A₂	184	168	0.00	0.09	0.75	0.86
12	B₁	3258	2972	38.88	120.27	0.75	0.86
13	B₁	1567	1429	13.37	0.04	0.75	0.86
14	B₁	1054	962	2.81	0.01	0.75	0.86
15	B₁	194	177	0.93	0.05	0.75	0.86
16	B₂	3277	2988	8.65	50.79	0.75	0.86
17	B₂	3176	2896	41.40	1.98	0.75	0.86
18	B₂	1569	1431	13.08	0.05	0.75	0.86
19	B₂	1439	1313	10.53	0.19	0.75	0.86
20	B₂	977	891	0.09	0.09	0.75	0.86
21	B₂	800	730	1.43	13.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.655
C2	0.000	1.392	-0.509
C3	0.000	-1.392	-0.509
H4	0.000	2.305	0.081
H5	0.000	-2.305	0.081
H6	0.891	1.374	-1.134
H7	-0.891	1.374	-1.134
H8	-0.891	-1.374	-1.134
H9	0.891	-1.374	-1.134

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8146	1.8146	2.3759	2.3759	2.4258	2.4258	2.4258	2.4258
C2	1.8146		2.7833	1.0877	3.7438	1.0886	1.0886	2.9723	2.9723
C3	1.8146	2.7833		3.7438	1.0877	2.9723	2.9723	1.0886	1.0886
H4	2.3759	1.0877	3.7438		4.6108	1.7712	1.7712	3.9761	3.9761
H5	2.3759	3.7438	1.0877	4.6108		3.9761	3.9761	1.7712	1.7712
H6	2.4258	1.0886	2.9723	1.7712	3.9761		1.7826	3.2758	2.7483
H7	2.4258	1.0886	2.9723	1.7712	3.9761	1.7826		2.7483	3.2758
H8	2.4258	2.9723	1.0886	3.9761	1.7712	3.2758	2.7483		1.7826
H9	2.4258	2.9723	1.0886	3.9761	1.7712	2.7483	3.2758	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.229	S1	C2	H6	110.855
S1	C2	H7	110.855	S1	C3	H5	107.229
S1	C3	H8	110.855	S1	C3	H9	110.855
C2	S1	C3	100.154	H4	C2	H6	108.953
H4	C2	H7	108.953	H5	C3	H8	108.953
H5	C3	H9	108.953	H6	C2	H7	109.920
H8	C3	H9	109.920

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

using model chemistry: HF/daug-cc-pVDZ

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	0.208
2	C	0.284
3	C	0.284
4	H	-0.138
5	H	-0.138
6	H	-0.125
7	H	-0.125
8	H	-0.125
9	H	-0.125

<r²>	76.850
(<r²>)^1/2	8.766

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

using model chemistry: HF/daug-cc-pVDZ

States and conformations

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