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	hartrees
Energy at 0K	-478.082073
Energy at 298.15K
HF Energy	-478.082073
Nuclear repulsion energy	110.755552

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	3122	3122	13.49	98.91	0.62	0.76
2	A₁	3022	3022	35.66	318.92	0.00	0.00
3	A₁	1497	1497	0.42	8.22	0.74	0.85
4	A₁	1367	1367	0.92	0.57	0.27	0.42
5	A₁	1050	1050	9.82	0.44	0.24	0.39
6	A₁	690	690	2.79	18.71	0.07	0.14
7	A₁	252	252	0.08	3.32	0.62	0.77
8	A₂	3100	3100	0.00	22.80	0.75	0.86
9	A₂	1474	1474	0.00	11.50	0.75	0.86
10	A₂	949	949	0.00	0.23	0.75	0.86
11	A₂	183	183	0.00	0.12	0.75	0.86
12	B₁	3092	3092	31.65	131.05	0.75	0.86
13	B₁	1484	1484	12.88	0.10	0.75	0.86
14	B₁	985	985	3.58	0.01	0.75	0.86
15	B₁	177	177	0.94	0.04	0.75	0.86
16	B₂	3123	3123	3.90	51.88	0.75	0.86
17	B₂	3025	3025	31.78	5.75	0.75	0.86
18	B₂	1489	1489	15.58	0.27	0.75	0.86
19	B₂	1341	1341	6.97	0.18	0.75	0.86
20	B₂	905	905	0.27	0.37	0.75	0.86
21	B₂	743	743	0.09	7.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.657
C2	0.000	1.383	-0.511
C3	0.000	-1.383	-0.511
H4	0.000	2.297	0.082
H5	0.000	-2.297	0.082
H6	0.893	1.365	-1.137
H7	-0.893	1.365	-1.137
H8	-0.893	-1.365	-1.137
H9	0.893	-1.365	-1.137

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8100	1.8100	2.3679	2.3679	2.4248	2.4248	2.4248	2.4248
C2	1.8100		2.7659	1.0894	3.7273	1.0909	1.0909	2.9570	2.9570
C3	1.8100	2.7659		3.7273	1.0894	2.9570	2.9570	1.0909	1.0909
H4	2.3679	1.0894	3.7273		4.5940	1.7750	1.7750	3.9619	3.9619
H5	2.3679	3.7273	1.0894	4.5940		3.9619	3.9619	1.7750	1.7750
H6	2.4248	1.0909	2.9570	1.7750	3.9619		1.7867	3.2635	2.7310
H7	2.4248	1.0909	2.9570	1.7750	3.9619	1.7867		2.7310	3.2635
H8	2.4248	2.9570	1.0909	3.9619	1.7750	3.2635	2.7310		1.7867
H9	2.4248	2.9570	1.0909	3.9619	1.7750	2.7310	3.2635	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.862	S1	C2	H6	110.973
S1	C2	H7	110.973	S1	C3	H5	106.862
S1	C3	H8	110.973	S1	C3	H9	110.973
C2	S1	C3	99.645	H4	C2	H6	108.999
H4	C2	H7	108.999	H5	C3	H8	108.999
H5	C3	H9	108.999	H6	C2	H7	109.950
H8	C3	H9	109.950

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	-0.148
2	C	-0.290
3	C	-0.290
4	H	0.120
5	H	0.120
6	H	0.122
7	H	0.122
8	H	0.122
9	H	0.122

<r²>	76.290
(<r²>)^1/2	8.734

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

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

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