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	hartrees
Energy at 0K	-478.043543
Energy at 298.15K
HF Energy	-478.043543
Nuclear repulsion energy	110.820320

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	3162	3025	11.34	104.56	0.67	0.80
2	A₁	3055	2922	37.96	288.72	0.00	0.00
3	A₁	1489	1424	0.47	19.34	0.74	0.85
4	A₁	1380	1320	2.09	1.70	0.45	0.62
5	A₁	1065	1018	21.87	3.73	0.46	0.63
6	A₁	709	679	3.74	14.73	0.17	0.29
7	A₁	264	253	0.05	2.91	0.62	0.76
8	A₂	3143	3007	0.00	17.35	0.75	0.86
9	A₂	1464	1400	0.00	27.03	0.75	0.86
10	A₂	961	919	0.00	5.83	0.75	0.86
11	A₂	181	174	0.00	0.16	0.75	0.86
12	B₁	3136	3000	33.06	130.30	0.75	0.86
13	B₁	1473	1409	20.04	0.02	0.75	0.86
14	B₁	1004	961	15.99	2.51	0.75	0.86
15	B₁	185	177	1.19	0.16	0.75	0.86
16	B₂	3162	3025	2.93	55.14	0.75	0.86
17	B₂	3057	2925	29.10	2.13	0.75	0.86
18	B₂	1479	1415	20.09	0.06	0.75	0.86
19	B₂	1353	1295	2.82	4.45	0.75	0.86
20	B₂	920	880	0.18	2.68	0.75	0.86
21	B₂	763	730	0.01	8.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.657
C2	0.000	1.381	-0.510
C3	0.000	-1.381	-0.510
H4	0.000	2.297	0.081
H5	0.000	-2.297	0.081
H6	0.893	1.369	-1.137
H7	-0.893	1.369	-1.137
H8	-0.893	-1.369	-1.137
H9	0.893	-1.369	-1.137

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8077	1.8077	2.3677	2.3677	2.4267	2.4267	2.4267	2.4267
C2	1.8077		2.7619	1.0897	3.7247	1.0911	1.0911	2.9589	2.9589
C3	1.8077	2.7619		3.7247	1.0897	2.9589	2.9589	1.0911	1.0911
H4	2.3677	1.0897	3.7247		4.5933	1.7718	1.7718	3.9649	3.9649
H5	2.3677	3.7247	1.0897	4.5933		3.9649	3.9649	1.7718	1.7718
H6	2.4267	1.0911	2.9589	1.7718	3.9649		1.7860	3.2699	2.7390
H7	2.4267	1.0911	2.9589	1.7718	3.9649	1.7860		2.7390	3.2699
H8	2.4267	2.9589	1.0911	3.9649	1.7718	3.2699	2.7390		1.7860
H9	2.4267	2.9589	1.0911	3.9649	1.7718	2.7390	3.2699	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.983	S1	C2	H6	111.265
S1	C2	H7	111.265	S1	C3	H5	106.983
S1	C3	H8	111.265	S1	C3	H9	111.265
C2	S1	C3	99.621	H4	C2	H6	108.677
H4	C2	H7	108.677	H5	C3	H8	108.677
H5	C3	H9	108.677	H6	C2	H7	109.864
H8	C3	H9	109.864

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

using model chemistry: mPW1PW91/6-311G**

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	0.056
2	C	-0.495
3	C	-0.495
4	H	0.161
5	H	0.161
6	H	0.153
7	H	0.153
8	H	0.153
9	H	0.153

<r²>	76.285
(<r²>)^1/2	8.734

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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