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	hartrees
Energy at 0K	-477.380645
Energy at 298.15K
HF Energy	-476.799125
Nuclear repulsion energy	111.120184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3159	11.80
2	A₁	3058	3058	29.27
3	A₁	1509	1509	0.43
4	A₁	1390	1390	0.64
5	A₁	1064	1064	9.34
6	A₁	718	718	2.24
7	A₁	266	266	0.02
8	A₂	3141	3141	0.00
9	A₂	1484	1484	0.00
10	A₂	966	966	0.00
11	A₂	178	178	0.00
12	B₁	3135	3135	29.37
13	B₁	1493	1493	13.31
14	B₁	1001	1001	3.78
15	B₁	189	189	0.93
16	B₂	3159	3159	4.68
17	B₂	3061	3061	26.62
18	B₂	1501	1501	13.75
19	B₂	1366	1366	5.65
20	B₂	921	921	0.09
21	B₂	773	773	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.368	-0.514
C3	0.000	-1.368	-0.514
H4	0.000	2.292	0.059
H5	0.000	-2.292	0.059
H6	0.890	1.341	-1.141
H7	-0.890	1.341	-1.141
H8	-0.890	-1.341	-1.141
H9	0.890	-1.341	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8052	1.8052	2.3708	2.3708	2.4183	2.4183	2.4183	2.4183
C2	1.8052		2.7360	1.0879	3.7051	1.0891	1.0891	2.9199	2.9199
C3	1.8052	2.7360		3.7051	1.0879	2.9199	2.9199	1.0891	1.0891
H4	2.3708	1.0879	3.7051		4.5849	1.7714	1.7714	3.9291	3.9291
H5	2.3708	3.7051	1.0879	4.5849		3.9291	3.9291	1.7714	1.7714
H6	2.4183	1.0891	2.9199	1.7714	3.9291		1.7808	3.2199	2.6827
H7	2.4183	1.0891	2.9199	1.7714	3.9291	1.7808		2.6827	3.2199
H8	2.4183	2.9199	1.0891	3.9291	1.7714	3.2199	2.6827		1.7808
H9	2.4183	2.9199	1.0891	3.9291	1.7714	2.6827	3.2199	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.452	S1	C2	H6	110.906
S1	C2	H7	110.906	S1	C3	H5	107.452
S1	C3	H8	110.906	S1	C3	H9	110.906
C2	S1	C3	98.539	H4	C2	H6	108.911
H4	C2	H7	108.911	H5	C3	H8	108.911
H5	C3	H9	108.911	H6	C2	H7	109.685
H8	C3	H9	109.685

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

using model chemistry: QCISD/Def2TZVPP

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: QCISD/Def2TZVPP

States and conformations

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