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	hartrees
Energy at 0K	-476.529644
Energy at 298.15K
HF Energy	-476.529644
Nuclear repulsion energy	110.937167

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	3089	3065	3.82	120.79	0.64	0.78
2	A₁	2955	2932	29.93	341.91	0.00	0.00
3	A₁	1383	1372	0.35	26.76	0.74	0.85
4	A₁	1269	1259	0.01	4.84	0.19	0.32
5	A₁	993	985	13.38	4.14	0.53	0.70
6	A₁	717	711	3.75	9.13	0.18	0.30
7	A₁	250	248	0.11	2.52	0.65	0.79
8	A₂	3056	3032	0.00	21.14	0.75	0.86
9	A₂	1355	1345	0.00	35.58	0.75	0.86
10	A₂	894	887	0.00	5.17	0.75	0.86
11	A₂	187	185	0.00	0.16	0.75	0.86
12	B₁	3043	3019	20.03	150.27	0.75	0.86
13	B₁	1364	1353	22.59	0.00	0.75	0.86
14	B₁	936	929	9.92	4.91	0.75	0.86
15	B₁	179	178	1.25	0.09	0.75	0.86
16	B₂	3091	3067	0.04	64.22	0.75	0.86
17	B₂	2961	2938	23.30	3.72	0.75	0.86
18	B₂	1373	1362	25.65	0.53	0.75	0.86
19	B₂	1242	1232	1.25	7.48	0.75	0.86
20	B₂	856	849	1.16	3.44	0.75	0.86
21	B₂	764	758	0.34	3.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.359	-0.512
C3	0.000	-1.359	-0.512
H4	0.000	2.303	0.069
H5	0.000	-2.303	0.069
H6	0.906	1.338	-1.154
H7	-0.906	1.338	-1.154
H8	-0.906	-1.338	-1.154
H9	0.906	-1.338	-1.154

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7975	1.7975	2.3783	2.3783	2.4325	2.4325	2.4325	2.4325
C2	1.7975		2.7188	1.1078	3.7078	1.1108	1.1108	2.9173	2.9173
C3	1.7975	2.7188		3.7078	1.1078	2.9173	2.9173	1.1108	1.1108
H4	2.3783	1.1078	3.7078		4.6053	1.8018	1.8018	3.9462	3.9462
H5	2.3783	3.7078	1.1078	4.6053		3.9462	3.9462	1.8018	1.8018
H6	2.4325	1.1108	2.9173	1.8018	3.9462		1.8129	3.2327	2.6765
H7	2.4325	1.1108	2.9173	1.8018	3.9462	1.8129		2.6765	3.2327
H8	2.4325	2.9173	1.1108	3.9462	1.8018	3.2327	2.6765		1.8129
H9	2.4325	2.9173	1.1108	3.9462	1.8018	2.6765	3.2327	1.8129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.505	S1	C2	H6	111.319
S1	C2	H7	111.319	S1	C3	H5	107.505
S1	C3	H8	111.319	S1	C3	H9	111.319
C2	S1	C3	98.269	H4	C2	H6	108.612
H4	C2	H7	108.612	H5	C3	H8	108.612
H5	C3	H9	108.612	H6	C2	H7	109.383
H8	C3	H9	109.383

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

using model chemistry: SVWN/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	-0.057
2	C	-0.267
3	C	-0.267
4	H	0.103
5	H	0.103
6	H	0.096
7	H	0.096
8	H	0.096
9	H	0.096

<r²>	75.530
(<r²>)^1/2	8.691

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

using model chemistry: SVWN/cc-pVDZ

States and conformations

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