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	hartrees
Energy at 0K	-477.418882
Energy at 298.15K
HF Energy	-476.803158
Nuclear repulsion energy	110.678278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3135	3031
2	A₁	3030	2930
3	A₁	1498	1448
4	A₁	1370	1324
5	A₁	1054	1019
6	A₁	705	681
7	A₁	262	253
8	A₂	3118	3014
9	A₂	1475	1426
10	A₂	961	929
11	A₂	180	174
12	B₁	3110	3007
13	B₁	1485	1435
14	B₁	995	962
15	B₁	189	183
16	B₂	3136	3032
17	B₂	3035	2934
18	B₂	1490	1440
19	B₂	1347	1302
20	B₂	918	887
21	B₂	757	732

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.371	-0.520
C3	0.000	-1.371	-0.520
H4	0.000	2.299	0.052
H5	0.000	-2.299	0.052
H6	0.894	1.335	-1.145
H7	-0.894	1.335	-1.145
H8	-0.894	-1.335	-1.145
H9	0.894	-1.335	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8155	1.8155	2.3805	2.3805	2.4242	2.4242	2.4242	2.4242
C2	1.8155		2.7418	1.0904	3.7143	1.0916	1.0916	2.9173	2.9173
C3	1.8155	2.7418		3.7143	1.0904	2.9173	2.9173	1.0916	1.0916
H4	2.3805	1.0904	3.7143		4.5980	1.7786	1.7786	3.9291	3.9291
H5	2.3805	3.7143	1.0904	4.5980		3.9291	3.9291	1.7786	1.7786
H6	2.4242	1.0916	2.9173	1.7786	3.9291		1.7882	3.2131	2.6695
H7	2.4242	1.0916	2.9173	1.7786	3.9291	1.7882		2.6695	3.2131
H8	2.4242	2.9173	1.0916	3.9291	1.7786	3.2131	2.6695		1.7882
H9	2.4242	2.9173	1.0916	3.9291	1.7786	2.6695	3.2131	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.369	S1	C2	H6	110.516
S1	C2	H7	110.516	S1	C3	H5	107.369
S1	C3	H8	110.516	S1	C3	H9	110.516
C2	S1	C3	98.071	H4	C2	H6	109.200
H4	C2	H7	109.200	H5	C3	H8	109.200
H5	C3	H9	109.200	H6	C2	H7	109.984
H8	C3	H9	109.984

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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)/aug-cc-pVTZ

States and conformations

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