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	hartrees
Energy at 0K	-477.292574
Energy at 298.15K
HF Energy	-476.796321
Nuclear repulsion energy	111.687506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	2978	11.11
2	A₁	3130	2885	28.97
3	A₁	1554	1433	0.80
4	A₁	1437	1325	0.48
5	A₁	1099	1013	10.72
6	A₁	746	688	2.37
7	A₁	275	254	0.03
8	A₂	3214	2963	0.00
9	A₂	1530	1410	0.00
10	A₂	999	921	0.00
11	A₂	189	174	0.00
12	B₁	3208	2957	23.38
13	B₁	1540	1419	14.26
14	B₁	1034	953	3.48
15	B₁	199	183	0.82
16	B₂	3231	2978	3.33
17	B₂	3132	2887	27.83
18	B₂	1547	1426	14.49
19	B₂	1413	1303	4.62
20	B₂	952	877	0.18
21	B₂	806	743	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.655
C2	0.000	1.367	-0.507
C3	0.000	-1.367	-0.507
H4	0.000	2.283	0.069
H5	0.000	-2.283	0.069
H6	0.886	1.347	-1.131
H7	-0.886	1.347	-1.131
H8	-0.886	-1.347	-1.131
H9	0.886	-1.347	-1.131

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7941	1.7941	2.3572	2.3572	2.4057	2.4057	2.4057	2.4057
C2	1.7941		2.7343	1.0824	3.6957	1.0835	1.0835	2.9223	2.9223
C3	1.7941	2.7343		3.6957	1.0824	2.9223	2.9223	1.0835	1.0835
H4	2.3572	1.0824	3.6957		4.5666	1.7612	1.7612	3.9248	3.9248
H5	2.3572	3.6957	1.0824	4.5666		3.9248	3.9248	1.7612	1.7612
H6	2.4057	1.0835	2.9223	1.7612	3.9248		1.7712	3.2241	2.6940
H7	2.4057	1.0835	2.9223	1.7612	3.9248	1.7712		2.6940	3.2241
H8	2.4057	2.9223	1.0835	3.9248	1.7612	3.2241	2.6940		1.7712
H9	2.4057	2.9223	1.0835	3.9248	1.7612	2.6940	3.2241	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.468	S1	C2	H6	111.022
S1	C2	H7	111.022	S1	C3	H5	107.468
S1	C3	H8	111.022	S1	C3	H9	111.022
C2	S1	C3	99.283	H4	C2	H6	108.807
H4	C2	H7	108.807	H5	C3	H8	108.807
H5	C3	H9	108.807	H6	C2	H7	109.639
H8	C3	H9	109.639

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

using model chemistry: CISD/6-311+G(3df,2p)

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

using model chemistry: CISD/6-311+G(3df,2p)

States and conformations

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