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	hartrees
Energy at 0K	-477.195606
Energy at 298.15K
HF Energy	-476.745816
Nuclear repulsion energy	111.234305

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	3241	3044	11.05	101.47	0.67	0.80
2	A₁	3120	2930	34.73	237.78	0.00	0.00
3	A₁	1532	1439	0.19	16.34	0.70	0.82
4	A₁	1438	1351	2.20	1.62	0.68	0.81
5	A₁	1092	1025	15.43	3.11	0.51	0.67
6	A₁	740	695	2.56	19.84	0.10	0.18
7	A₁	280	263	0.00	2.28	0.64	0.78
8	A₂	3225	3029	0.00	13.45	0.75	0.86
9	A₂	1495	1404	0.00	25.23	0.75	0.86
10	A₂	990	930	0.00	2.53	0.75	0.86
11	A₂	172	161	0.00	0.19	0.75	0.86
12	B₁	3216	3021	25.02	129.79	0.75	0.86
13	B₁	1502	1410	17.32	0.00	0.75	0.86
14	B₁	1031	968	4.45	0.89	0.75	0.86
15	B₁	188	176	0.96	0.00	0.75	0.86
16	B₂	3243	3046	4.07	46.41	0.75	0.86
17	B₂	3124	2934	27.64	0.37	0.75	0.86
18	B₂	1523	1430	18.44	0.01	0.75	0.86
19	B₂	1412	1326	3.70	3.51	0.75	0.86
20	B₂	953	895	0.00	1.76	0.75	0.86
21	B₂	794	746	0.00	10.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.363	-0.515
C3	0.000	-1.363	-0.515
H4	0.000	2.291	0.051
H5	0.000	-2.291	0.051
H6	0.889	1.340	-1.142
H7	-0.889	1.340	-1.142
H8	-0.889	-1.340	-1.142
H9	0.889	-1.340	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8032	1.8032	2.3719	2.3719	2.4195	2.4195	2.4195	2.4195
C2	1.8032		2.7259	1.0869	3.6974	1.0882	1.0882	2.9136	2.9136
C3	1.8032	2.7259		3.6974	1.0869	2.9136	2.9136	1.0882	1.0882
H4	2.3719	1.0869	3.6974		4.5818	1.7659	1.7659	3.9239	3.9239
H5	2.3719	3.6974	1.0869	4.5818		3.9239	3.9239	1.7659	1.7659
H6	2.4195	1.0882	2.9136	1.7659	3.9239		1.7778	3.2158	2.6798
H7	2.4195	1.0882	2.9136	1.7659	3.9239	1.7778		2.6798	3.2158
H8	2.4195	2.9136	1.0882	3.9239	1.7659	3.2158	2.6798		1.7778
H9	2.4195	2.9136	1.0882	3.9239	1.7659	2.6798	3.2158	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.725	S1	C2	H6	111.190
S1	C2	H7	111.190	S1	C3	H5	107.725
S1	C3	H8	111.190	S1	C3	H9	111.190
C2	S1	C3	98.200	H4	C2	H6	108.556
H4	C2	H7	108.556	H5	C3	H8	108.556
H5	C3	H9	108.556	H6	C2	H7	109.535
H8	C3	H9	109.535

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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