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	hartrees
Energy at 0K	-477.991003
Energy at 298.15K
HF Energy	-477.991003
Nuclear repulsion energy	109.608026

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	3090	3090	16.79	104.74	0.64	0.78
2	A₁	2972	2972	43.79	373.95	0.00	0.00
3	A₁	1424	1424	0.22	8.12	0.75	0.86
4	A₁	1307	1307	1.32	0.60	0.57	0.73
5	A₁	1017	1017	8.49	0.26	0.05	0.10
6	A₁	664	664	3.22	19.16	0.08	0.15
7	A₁	259	259	0.07	3.79	0.62	0.77
8	A₂	3063	3063	0.00	25.13	0.75	0.86
9	A₂	1402	1402	0.00	11.26	0.75	0.86
10	A₂	918	918	0.00	0.30	0.75	0.86
11	A₂	168	168	0.00	0.14	0.75	0.86
12	B₁	3055	3055	38.73	152.42	0.75	0.86
13	B₁	1413	1413	11.36	0.04	0.75	0.86
14	B₁	954	954	4.59	0.02	0.75	0.86
15	B₁	177	177	0.87	0.09	0.75	0.86
16	B₂	3091	3091	6.43	53.31	0.75	0.86
17	B₂	2975	2975	38.22	8.48	0.75	0.86
18	B₂	1416	1416	14.51	0.26	0.75	0.86
19	B₂	1280	1280	8.38	0.70	0.75	0.86
20	B₂	884	884	0.26	0.37	0.75	0.86
21	B₂	711	711	0.17	7.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.391	-0.520
C3	0.000	-1.391	-0.520
H4	0.000	2.321	0.068
H5	0.000	-2.321	0.068
H6	0.902	1.366	-1.153
H7	-0.902	1.366	-1.153
H8	-0.902	-1.366	-1.153
H9	0.902	-1.366	-1.153

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8310	1.8310	2.3979	2.3979	2.4501	2.4501	2.4501	2.4501
C2	1.8310		2.7821	1.1003	3.7583	1.1020	1.1020	2.9688	2.9688
C3	1.8310	2.7821		3.7583	1.1003	2.9688	2.9688	1.1020	1.1020
H4	2.3979	1.1003	3.7583		4.6420	1.7934	1.7934	3.9869	3.9869
H5	2.3979	3.7583	1.1003	4.6420		3.9869	3.9869	1.7934	1.7934
H6	2.4501	1.1020	2.9688	1.7934	3.9869		1.8040	3.2734	2.7315
H7	2.4501	1.1020	2.9688	1.7934	3.9869	1.8040		2.7315	3.2734
H8	2.4501	2.9688	1.1020	3.9869	1.7934	3.2734	2.7315		1.8040
H9	2.4501	2.9688	1.1020	3.9869	1.7934	2.7315	3.2734	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.132	S1	C2	H6	110.844
S1	C2	H7	110.844	S1	C3	H5	107.132
S1	C3	H8	110.844	S1	C3	H9	110.844
C2	S1	C3	98.880	H4	C2	H6	109.040
H4	C2	H7	109.040	H5	C3	H8	109.040
H5	C3	H9	109.040	H6	C2	H7	109.868
H8	C3	H9	109.868

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

using model chemistry: B97D3/aug-cc-pVDZ

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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Number	Element	Mulliken
1	S	0.240
2	C	0.449
3	C	0.449
4	H	-0.233
5	H	-0.233
6	H	-0.168
7	H	-0.168
8	H	-0.168
9	H	-0.168

<r²>	77.530
(<r²>)^1/2	8.805

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

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