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	hartrees
Energy at 0K	-476.920331
Energy at 298.15K
HF Energy	-476.667432
Nuclear repulsion energy	107.389827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3015	11.42
2	A₁	3109	2916	26.43
3	A₁	1562	1465	0.86
4	A₁	1454	1363	2.54
5	A₁	1100	1032	21.36
6	A₁	657	616	2.61
7	A₁	254	238	0.03
8	A₂	3203	3004	0.00
9	A₂	1540	1444	0.00
10	A₂	1008	945	0.00
11	A₂	158	148	0.00
12	B₁	3199	3000	34.66
13	B₁	1549	1453	21.37
14	B₁	1039	974	7.46
15	B₁	162	152	0.93
16	B₂	3215	3015	5.45
17	B₂	3107	2914	27.41
18	B₂	1554	1457	17.44
19	B₂	1430	1341	5.69
20	B₂	973	913	0.02
21	B₂	711	667	0.95

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.689
C2	0.000	1.434	-0.540
C3	0.000	-1.434	-0.540
H4	0.000	2.353	0.050
H5	0.000	-2.353	0.050
H6	0.897	1.397	-1.162
H7	-0.897	1.397	-1.162
H8	-0.897	-1.397	-1.162
H9	0.897	-1.397	-1.162

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8886	1.8886	2.4383	2.4383	2.4869	2.4869	2.4869	2.4869
C2	1.8886		2.8682	1.0920	3.8328	1.0928	1.0928	3.0345	3.0345
C3	1.8886	2.8682		3.8328	1.0920	3.0345	3.0345	1.0928	1.0928
H4	2.4383	1.0920	3.8328		4.7061	1.7859	1.7859	4.0421	4.0421
H5	2.4383	3.8328	1.0920	4.7061		4.0421	4.0421	1.7859	1.7859
H6	2.4869	1.0928	3.0345	1.7859	4.0421		1.7946	3.3208	2.7941
H7	2.4869	1.0928	3.0345	1.7859	4.0421	1.7946		2.7941	3.3208
H8	2.4869	3.0345	1.0928	4.0421	1.7859	3.3208	2.7941		1.7946
H9	2.4869	3.0345	1.0928	4.0421	1.7859	2.7941	3.3208	1.7946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.707	S1	C2	H6	110.179
S1	C2	H7	110.179	S1	C3	H5	106.707
S1	C3	H8	110.179	S1	C3	H9	110.179
C2	S1	C3	98.812	H4	C2	H6	109.653
H4	C2	H7	109.653	H5	C3	H8	109.653
H5	C3	H9	109.653	H6	C2	H7	110.397
H8	C3	H9	110.397

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

using model chemistry: CISD/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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All results from a given calculation for CH3SCH3 (Dimethyl sulfide)

using model chemistry: CISD/6-31G

States and conformations

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