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	hartrees
Energy at 0K	-474.600900
Energy at 298.15K
HF Energy	-474.347691
Nuclear repulsion energy	106.959641

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	3216	3071	6.34	83.93	0.72	0.84
2	A₁	3112	2972	17.37	171.66	0.00	0.01
3	A₁	1583	1512	0.83	33.89	0.73	0.85
4	A₁	1443	1377	1.57	1.82	0.27	0.43
5	A₁	1081	1032	18.79	12.17	0.69	0.82
6	A₁	629	601	2.83	24.55	0.17	0.29
7	A₁	245	234	0.05	2.98	0.68	0.81
8	A₂	3211	3066	0.00	7.61	0.75	0.86
9	A₂	1564	1493	0.00	47.33	0.75	0.86
10	A₂	987	942	0.00	11.00	0.75	0.86
11	A₂	169	162	0.00	0.08	0.75	0.86
12	B₁	3207	3062	22.15	89.13	0.75	0.86
13	B₁	1574	1503	21.38	0.02	0.75	0.86
14	B₁	1017	971	8.43	9.38	0.75	0.86
15	B₁	166	158	0.84	0.05	0.75	0.86
16	B₂	3217	3071	2.18	40.42	0.75	0.86
17	B₂	3116	2975	15.20	1.13	0.75	0.86
18	B₂	1575	1504	17.41	0.03	0.75	0.86
19	B₂	1417	1353	5.86	2.28	0.75	0.86
20	B₂	961	918	0.24	2.03	0.75	0.86
21	B₂	677	646	1.20	14.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.703
C2	0.000	1.433	-0.553
C3	0.000	-1.433	-0.553
H4	0.000	2.353	0.033
H5	0.000	-2.353	0.033
H6	0.898	1.379	-1.169
H7	-0.898	1.379	-1.169
H8	-0.898	-1.379	-1.169
H9	0.898	-1.379	-1.169

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.9046	1.9046	2.4461	2.4461	2.4923	2.4923	2.4923	2.4923
C2	1.9046		2.8652	1.0905	3.8302	1.0906	1.0906	3.0156	3.0156
C3	1.9046	2.8652		3.8302	1.0905	3.0156	3.0156	1.0906	1.0906
H4	2.4461	1.0905	3.8302		4.7052	1.7882	1.7882	4.0223	4.0223
H5	2.4461	3.8302	1.0905	4.7052		4.0223	4.0223	1.7882	1.7882
H6	2.4923	1.0906	3.0156	1.7882	4.0223		1.7964	3.2921	2.7588
H7	2.4923	1.0906	3.0156	1.7882	4.0223	1.7964		2.7588	3.2921
H8	2.4923	3.0156	1.0906	4.0223	1.7882	3.2921	2.7588		1.7964
H9	2.4923	3.0156	1.0906	4.0223	1.7882	2.7588	3.2921	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.311	S1	C2	H6	109.615
S1	C2	H7	109.615	S1	C3	H5	106.311
S1	C3	H8	109.615	S1	C3	H9	109.615
C2	S1	C3	97.555	H4	C2	H6	110.150
H4	C2	H7	110.150	H5	C3	H8	110.150
H5	C3	H9	110.150	H6	C2	H7	110.893
H8	C3	H9	110.893

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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