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	hartrees
Energy at 0K	-476.527644
Energy at 298.15K
HF Energy	-476.527644
Nuclear repulsion energy	111.552319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	3040	4.04
2	A₁	2965	2918	24.34
3	A₁	1409	1387	0.02
4	A₁	1288	1267	0.08
5	A₁	1006	990	15.59
6	A₁	722	711	2.92
7	A₁	252	248	0.15
8	A₂	3061	3012	0.00
9	A₂	1381	1359	0.00
10	A₂	905	891	0.00
11	A₂	197	194	0.00
12	B₁	3049	3000	14.63
13	B₁	1392	1370	19.01
14	B₁	945	930	8.32
15	B₁	185	182	1.08
16	B₂	3091	3042	0.08
17	B₂	2971	2924	16.94
18	B₂	1400	1377	22.47
19	B₂	1262	1242	1.24
20	B₂	864	850	1.01
21	B₂	771	759	0.28

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.660
C2	0.000	1.353	-0.509
C3	0.000	-1.353	-0.509
H4	0.000	2.291	0.067
H5	0.000	-2.291	0.067
H6	0.900	1.331	-1.146
H7	-0.900	1.331	-1.146
H8	-0.900	-1.331	-1.146
H9	0.900	-1.331	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7885	1.7885	2.3662	2.3662	2.4175	2.4175	2.4175	2.4175
C2	1.7885		2.7059	1.1005	3.6888	1.1029	1.1029	2.9015	2.9015
C3	1.7885	2.7059		3.6888	1.1005	2.9015	2.9015	1.1029	1.1029
H4	2.3662	1.1005	3.6888		4.5811	1.7895	1.7895	3.9238	3.9238
H5	2.3662	3.6888	1.1005	4.5811		3.9238	3.9238	1.7895	1.7895
H6	2.4175	1.1029	2.9015	1.7895	3.9238		1.8009	3.2137	2.6618
H7	2.4175	1.1029	2.9015	1.7895	3.9238	1.8009		2.6618	3.2137
H8	2.4175	2.9015	1.1029	3.9238	1.7895	3.2137	2.6618		1.8009
H9	2.4175	2.9015	1.1029	3.9238	1.7895	2.6618	3.2137	1.8009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.586	S1	C2	H6	111.242
S1	C2	H7	111.242	S1	C3	H5	107.586
S1	C3	H8	111.242	S1	C3	H9	111.242
C2	S1	C3	98.309	H4	C2	H6	108.612
H4	C2	H7	108.612	H5	C3	H8	108.612
H5	C3	H9	108.612	H6	C2	H7	109.458
H8	C3	H9	109.458

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.132
2	C	-0.456
3	C	-0.456
4	H	0.184
5	H	0.184
6	H	0.169
7	H	0.169
8	H	0.169
9	H	0.169

<r²>	74.748
(<r²>)^1/2	8.646

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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