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	hartrees
Energy at 0K	-478.003788
Energy at 298.15K
HF Energy	-478.003788
Nuclear repulsion energy	110.718686

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	3185	3031	9.76	100.97	0.68	0.81
2	A₁	3071	2922	30.34	247.18	0.00	0.00
3	A₁	1504	1431	0.19	28.97	0.75	0.86
4	A₁	1393	1325	1.61	4.81	0.21	0.34
5	A₁	1072	1020	20.54	7.28	0.55	0.71
6	A₁	716	681	3.38	15.04	0.18	0.30
7	A₁	265	252	0.06	2.25	0.61	0.76
8	A₂	3166	3012	0.00	15.62	0.75	0.86
9	A₂	1479	1407	0.00	40.09	0.75	0.86
10	A₂	969	922	0.00	7.09	0.75	0.86
11	A₂	186	177	0.00	0.11	0.75	0.86
12	B₁	3159	3006	27.89	120.31	0.75	0.86
13	B₁	1489	1417	18.96	0.00	0.75	0.86
14	B₁	1008	959	9.02	6.06	0.75	0.86
15	B₁	187	178	1.27	0.02	0.75	0.86
16	B₂	3186	3032	2.36	55.06	0.75	0.86
17	B₂	3074	2925	25.86	0.73	0.75	0.86
18	B₂	1494	1421	21.26	0.08	0.75	0.86
19	B₂	1367	1300	2.99	7.08	0.75	0.86
20	B₂	927	882	0.38	3.47	0.75	0.86
21	B₂	770	733	0.01	8.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.658
C2	0.000	1.382	-0.510
C3	0.000	-1.382	-0.510
H4	0.000	2.300	0.078
H5	0.000	-2.300	0.078
H6	0.893	1.370	-1.139
H7	-0.893	1.370	-1.139
H8	-0.893	-1.370	-1.139
H9	0.893	-1.370	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8091	1.8091	2.3720	2.3720	2.4300	2.4300	2.4300	2.4300
C2	1.8091		2.7631	1.0908	3.7284	1.0923	1.0923	2.9608	2.9608
C3	1.8091	2.7631		3.7284	1.0908	2.9608	2.9608	1.0923	1.0923
H4	2.3720	1.0908	3.7284		4.6003	1.7731	1.7731	3.9689	3.9689
H5	2.3720	3.7284	1.0908	4.6003		3.9689	3.9689	1.7731	1.7731
H6	2.4300	1.0923	2.9608	1.7731	3.9689		1.7855	3.2710	2.7407
H7	2.4300	1.0923	2.9608	1.7731	3.9689	1.7855		2.7407	3.2710
H8	2.4300	2.9608	1.0923	3.9689	1.7731	3.2710	2.7407		1.7855
H9	2.4300	2.9608	1.0923	3.9689	1.7731	2.7407	3.2710	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.154	S1	C2	H6	111.350
S1	C2	H7	111.350	S1	C3	H5	107.154
S1	C3	H8	111.350	S1	C3	H9	111.350
C2	S1	C3	99.580	H4	C2	H6	108.622
H4	C2	H7	108.622	H5	C3	H8	108.622
H5	C3	H9	108.622	H6	C2	H7	109.637
H8	C3	H9	109.637

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

using model chemistry: mPW1PW91/6-31G**

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	0.104
2	C	-0.547
3	C	-0.547
4	H	0.172
5	H	0.172
6	H	0.162
7	H	0.162
8	H	0.162
9	H	0.162

<r²>	76.070
(<r²>)^1/2	8.722

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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