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	hartrees
Energy at 0K	-477.277896
Energy at 298.15K
HF Energy	-476.785466
Nuclear repulsion energy	110.402406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3034	15.51
2	A₁	3071	2934	34.92
3	A₁	1510	1443	0.18
4	A₁	1419	1355	3.01
5	A₁	1073	1025	12.03
6	A₁	713	681	2.54
7	A₁	269	257	0.00
8	A₂	3159	3017	0.00
9	A₂	1471	1405	0.00
10	A₂	966	923	0.00
11	A₂	131	125	0.00
12	B₁	3152	3012	40.43
13	B₁	1481	1415	11.73
14	B₁	1013	968	3.93
15	B₁	181	173	1.02
16	B₂	3176	3034	8.29
17	B₂	3073	2936	31.01
18	B₂	1498	1431	13.66
19	B₂	1391	1329	8.79
20	B₂	936	894	0.05
21	B₂	764	730	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.672
C2	0.000	1.375	-0.521
C3	0.000	-1.375	-0.521
H4	0.000	2.303	0.049
H5	0.000	-2.303	0.049
H6	0.892	1.348	-1.148
H7	-0.892	1.348	-1.148
H8	-0.892	-1.348	-1.148
H9	0.892	-1.348	-1.148

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8210	1.8210	2.3862	2.3862	2.4343	2.4343	2.4343	2.4343
C2	1.8210		2.7510	1.0891	3.7228	1.0902	1.0902	2.9336	2.9336
C3	1.8210	2.7510		3.7228	1.0891	2.9336	2.9336	1.0902	1.0902
H4	2.3862	1.0891	3.7228		4.6068	1.7721	1.7721	3.9448	3.9448
H5	2.3862	3.7228	1.0891	4.6068		3.9448	3.9448	1.7721	1.7721
H6	2.4343	1.0902	2.9336	1.7721	3.9448		1.7830	3.2325	2.6963
H7	2.4343	1.0902	2.9336	1.7721	3.9448	1.7830		2.6963	3.2325
H8	2.4343	2.9336	1.0902	3.9448	1.7721	3.2325	2.6963		1.7830
H9	2.4343	2.9336	1.0902	3.9448	1.7721	2.6963	3.2325	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.487	S1	C2	H6	110.974
S1	C2	H7	110.974	S1	C3	H5	107.487
S1	C3	H8	110.974	S1	C3	H9	110.974
C2	S1	C3	98.111	H4	C2	H6	108.809
H4	C2	H7	108.809	H5	C3	H8	108.809
H5	C3	H9	108.809	H6	C2	H7	109.714
H8	C3	H9	109.714

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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