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	hartrees
Energy at 0K	-477.253590
Energy at 298.15K
HF Energy	-476.745697
Nuclear repulsion energy	110.704811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3197	3197
2	A₁	3085	3085
3	A₁	1523	1523
4	A₁	1428	1428
5	A₁	1081	1081
6	A₁	718	718
7	A₁	276	276
8	A₂	3177	3177
9	A₂	1488	1488
10	A₂	979	979
11	A₂	166	166
12	B₁	3170	3170
13	B₁	1494	1494
14	B₁	1019	1019
15	B₁	178	178
16	B₂	3198	3198
17	B₂	3088	3088
18	B₂	1515	1515
19	B₂	1402	1402
20	B₂	942	942
21	B₂	771	771

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.370	-0.519
C3	0.000	-1.370	-0.519
H4	0.000	2.300	0.048
H5	0.000	-2.300	0.048
H6	0.891	1.345	-1.147
H7	-0.891	1.345	-1.147
H8	-0.891	-1.345	-1.147
H9	0.891	-1.345	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8137	1.8137	2.3828	2.3828	2.4297	2.4297	2.4297	2.4297
C2	1.8137		2.7407	1.0892	3.7142	1.0907	1.0907	2.9260	2.9260
C3	1.8137	2.7407		3.7142	1.0892	2.9260	2.9260	1.0907	1.0907
H4	2.3828	1.0892	3.7142		4.6007	1.7709	1.7709	3.9385	3.9385
H5	2.3828	3.7142	1.0892	4.6007		3.9385	3.9385	1.7709	1.7709
H6	2.4297	1.0907	2.9260	1.7709	3.9385		1.7818	3.2265	2.6899
H7	2.4297	1.0907	2.9260	1.7709	3.9385	1.7818		2.6899	3.2265
H8	2.4297	2.9260	1.0907	3.9385	1.7709	3.2265	2.6899		1.7818
H9	2.4297	2.9260	1.0907	3.9385	1.7709	2.6899	3.2265	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.708	S1	C2	H6	111.102
S1	C2	H7	111.102	S1	C3	H5	107.708
S1	C3	H8	111.102	S1	C3	H9	111.102
C2	S1	C3	98.147	H4	C2	H6	108.657
H4	C2	H7	108.657	H5	C3	H8	108.657
H5	C3	H9	108.657	H6	C2	H7	109.536
H8	C3	H9	109.536

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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

using model chemistry: QCISD(T)=FULL/6-31+G**

States and conformations

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