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	hartrees
Energy at 0K	-477.295615
Energy at 298.15K
HF Energy	-476.785551
Nuclear repulsion energy	110.899081

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	3206	3054	11.32	98.28	0.69	0.82
2	A₁	3088	2942	32.35	289.24	0.00	0.00
3	A₁	1508	1437	0.26	20.15	0.75	0.86
4	A₁	1416	1349	2.21	1.04	0.28	0.44
5	A₁	1074	1023	13.27	8.71	0.43	0.60
6	A₁	729	694	2.72	17.68	0.17	0.30
7	A₁	269	256	0.00	2.11	0.61	0.76
8	A₂	3190	3039	0.00	12.30	0.75	0.86
9	A₂	1466	1396	0.00	29.54	0.75	0.86
10	A₂	967	921	0.00	7.15	0.75	0.86
11	A₂	134	127	0.00	0.36	0.75	0.86
12	B₁	3182	3031	30.94	113.52	0.75	0.86
13	B₁	1477	1407	14.12	0.52	0.75	0.86
14	B₁	1017	969	5.15	4.98	0.75	0.86
15	B₁	188	179	1.10	0.20	0.75	0.86
16	B₂	3207	3055	4.45	47.68	0.75	0.86
17	B₂	3092	2946	26.83	0.11	0.75	0.86
18	B₂	1494	1424	15.68	0.02	0.75	0.86
19	B₂	1388	1322	5.95	3.52	0.75	0.86
20	B₂	937	893	0.00	3.44	0.75	0.86
21	B₂	779	742	0.00	9.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.366	-0.520
C3	0.000	-1.366	-0.520
H4	0.000	2.294	0.047
H5	0.000	-2.294	0.047
H6	0.890	1.339	-1.146
H7	-0.890	1.339	-1.146
H8	-0.890	-1.339	-1.146
H9	0.890	-1.339	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8117	1.8117	2.3767	2.3767	2.4254	2.4254	2.4254	2.4254
C2	1.8117		2.7321	1.0869	3.7032	1.0881	1.0881	2.9157	2.9157
C3	1.8117	2.7321		3.7032	1.0869	2.9157	2.9157	1.0881	1.0881
H4	2.3767	1.0869	3.7032		4.5871	1.7677	1.7677	3.9256	3.9256
H5	2.3767	3.7032	1.0869	4.5871		3.9256	3.9256	1.7677	1.7677
H6	2.4254	1.0881	2.9157	1.7677	3.9256		1.7794	3.2155	2.6783
H7	2.4254	1.0881	2.9157	1.7677	3.9256	1.7794		2.6783	3.2155
H8	2.4254	2.9157	1.0881	3.9256	1.7677	3.2155	2.6783		1.7794
H9	2.4254	2.9157	1.0881	3.9256	1.7677	2.6783	3.2155	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.517	S1	C2	H6	111.051
S1	C2	H7	111.051	S1	C3	H5	107.517
S1	C3	H8	111.051	S1	C3	H9	111.051
C2	S1	C3	97.880	H4	C2	H6	108.721
H4	C2	H7	108.721	H5	C3	H8	108.721
H5	C3	H9	108.721	H6	C2	H7	109.698
H8	C3	H9	109.698

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

using model chemistry: MP2=FULL/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: MP2=FULL/TZVP

States and conformations

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